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Sample records for adiabatic density perturbations

  1. Adiabatic density perturbations in a cosmological model with massive neutrinos

    NASA Astrophysics Data System (ADS)

    Jaroszynski, M.

    Lifshitz (1946) has investigated the gravitational instability of a Friedmann Universe model. He treated the matter content of the universe as a single perfect fluid. In other studies, a two fluid approach was used to represent neutrinos and other kinds of matter separately. A distribution function was used by Peebles and Yu (1970), and also by Silk and Wilson (1980) to describe photons of the black-body background during and after the recombination of the primeval plasma. The approach used in the present investigation is similar, except for two differences. No collisional term is used in the kinetic equation, and massive particles are considered. A detailed description is provided of the method used to investigate the gravitational instability of a cosmological model with massive neutrinos. It is pointed out that the obtained results are preliminary. The final spectrum of perturbations is similar to those of Peebles and Yu (1970), and Wilson and Silk (1981).

  2. 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.

  3. On adiabatic perturbations in the ekpyrotic scenario

    SciTech Connect

    Linde, A.; Mukhanov, V.; Vikman, A. E-mail: Viatcheslav.Mukhanov@physik.uni-muenchen.de

    2010-02-01

    In a recent paper, Khoury and Steinhardt proposed a way to generate adiabatic cosmological perturbations with a nearly flat spectrum in a contracting Universe. To produce these perturbations they used a regime in which the equation of state exponentially rapidly changed during a short time interval. Leaving aside the singularity problem and the difficult question about the possibility to transmit these perturbations from a contracting Universe to the expanding phase, we will show that the methods used in Khoury are inapplicable for the description of the cosmological evolution and of the process of generation of perturbations in this scenario.

  4. Non-adiabatic perturbations in multi-component perfect fluids

    SciTech Connect

    Koshelev, N.A.

    2011-04-01

    The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.

  5. 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.

  6. Density perturbation theory

    SciTech Connect

    Palenik, Mark C.; Dunlap, Brett I.

    2015-07-28

    Despite the fundamental importance of electron density in density functional theory, perturbations are still usually dealt with using Hartree-Fock-like orbital equations known as coupled-perturbed Kohn-Sham (CPKS). As an alternative, we develop a perturbation theory that solves for the perturbed density directly, removing the need for CPKS. This replaces CPKS with a true Hohenberg-Kohn density perturbation theory. In CPKS, the perturbed density is found in the basis of products of occupied and virtual orbitals, which becomes ever more over-complete as the size of the orbital basis set increases. In our method, the perturbation to the density is expanded in terms of a series of density basis functions and found directly. It is possible to solve for the density in such a way that it makes the total energy stationary even if the density basis is incomplete.

  7. Model for fluctuating inflaton coupling: sneutrino induced adiabatic perturbations and nonthermal leptogenesis.

    PubMed

    Mazumdar, Anupam

    2004-06-18

    We discuss a unique possibility of generating adiabatic density perturbations and leptogenesis from the spatial fluctuations of the inflaton decay rate. The key assumption is that the initial isocurvature perturbations are created in the right-handed sneutrino sector during inflation which is then converted into adiabatic perturbations when the inflaton decays. We discuss distinct imprints on the cosmic microwave background radiation, which can distinguish nonthermal versus thermal leptogenesis.

  8. Adiabatic and isocurvature perturbation projections in multi-field inflation

    SciTech Connect

    Gordon, Chris; Saffin, Paul M. E-mail: Paul.Saffin@nottingham.ac.uk

    2013-08-01

    Current data are in good agreement with the predictions of single field inflation. However, the hemispherical asymmetry, seen in the cosmic microwave background data, may hint at a potential problem. Generalizing to multi-field models may provide one possible explanation. A useful way of modeling perturbations in multi-field inflation is to investigate the projection of the perturbation along and perpendicular to the background fields' trajectory. These correspond to the adiabatic and isocurvature perturbations. However, it is important to note that in general there are no corresponding adiabatic and isocurvature fields. The purpose of this article is to highlight the distinction between a field redefinition and a perturbation projection. We provide a detailed derivation of the evolution of the isocurvature perturbation to show that no assumption of an adiabatic or isocurvature field is needed. We also show how this evolution equation is consistent with the field covariant evolution equations for the adiabatic perturbation in the flat field space limit.

  9. Adiabatic approximation for the density matrix

    NASA Astrophysics Data System (ADS)

    Band, Yehuda B.

    1992-05-01

    An adiabatic approximation for the Liouville density-matrix equation which includes decay terms is developed. The adiabatic approximation employs the eigenvectors of the non-normal Liouville operator. The approximation is valid when there exists a complete set of eigenvectors of the non-normal Liouville operator (i.e., the eigenvectors span the density-matrix space), the time rate of change of the Liouville operator is small, and an auxiliary matrix is nonsingular. Numerical examples are presented involving efficient population transfer in a molecule by stimulated Raman scattering, with the intermediate level of the molecule decaying on a time scale that is fast compared with the pulse durations of the pump and Stokes fields. The adiabatic density-matrix approximation can be simply used to determine the density matrix for atomic or molecular systems interacting with cw electromagnetic fields when spontaneous emission or other decay mechanisms prevail.

  10. Adiabatic perturbation theory of electronic stopping in insulators

    NASA Astrophysics Data System (ADS)

    Horsfield, Andrew P.; Lim, Anthony; Foulkes, W. M. C.; Correa, Alfredo A.

    2016-06-01

    A model able to explain the complicated structure of electronic stopping at low velocities in insulating materials is presented. It is shown to be in good agreement with results obtained from time-dependent density-functional theory for the stopping of a channeling Si atom in a Si crystal. If we define the repeat frequency f =v /λ , where λ is the periodic repeat length of the crystal along the direction the channeling atom is traveling, and v is the velocity of the channeling atom, we find that electrons experience a perturbing force that varies in time at integer multiples l of f . This enables electronic excitations at low atom velocity, but their contributions diminish rapidly with increasing values of l . The expressions for stopping power are derived using adiabatic perturbation theory for many-electron systems, and they are then specialized to the case of independent electrons. A simple model for the nonadiabatic matrix elements is described, along with the procedure for determining its parameters.

  11. Degenerate density perturbation theory

    NASA Astrophysics Data System (ADS)

    Palenik, Mark C.; Dunlap, Brett I.

    2016-09-01

    Fractional occupation numbers can be used in density functional theory to create a symmetric Kohn-Sham potential, resulting in orbitals with degenerate eigenvalues. We develop the corresponding perturbation theory and apply it to a system of Nd degenerate electrons in a harmonic oscillator potential. The order-by-order expansions of both the fractional occupation numbers and unitary transformations within the degenerate subspace are determined by the requirement that a differentiable map exists connecting the initial and perturbed states. Using the X α exchange-correlation (XC) functional, we find an analytic solution for the first-order density and first- through third-order energies as a function of α , with and without a self-interaction correction. The fact that the XC Hessian is not positive definite plays an important role in the behavior of the occupation numbers.

  12. Analysis of double-hybrid density functionals along the adiabatic connection

    NASA Astrophysics Data System (ADS)

    Cornaton, Yann; Franck, Odile; Teale, Andrew M.; Fromager, Emmanuel

    2013-07-01

    We present a graphical analysis of the adiabatic connections underlying double-hybrid density-functional methods that employ second-order perturbation theory. Approximate adiabatic connection formulae relevant to the construction of these functionals are derived and compared directly with those calculated using accurate ab initio methods. The discontinuous nature of the approximate adiabatic integrands is emphasised, the discontinuities occurring at interaction strengths which mark the transitions between regions that are: (i) described predominantly by second-order perturbation theory; (ii) described by a mixture of density-functional and second-order perturbation theory contributions; and (iii) described purely by density-functional theory. Numerical examples are presented for a selection of small molecular systems and van der Waals dimers. The impacts of commonly used approximations in each of the three sections of the adiabatic connection are discussed along with possible routes for the development of improved double-hybrid methodologies.

  13. Canonical density matrix perturbation theory.

    PubMed

    Niklasson, Anders M N; Cawkwell, M J; Rubensson, Emanuel H; Rudberg, Elias

    2015-12-01

    Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free-energy ensembles in tight-binding, Hartree-Fock, or Kohn-Sham density-functional theory. The canonical density matrix perturbation theory can be used to calculate temperature-dependent response properties from the coupled perturbed self-consistent field equations as in density-functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large nonmetallic materials and metals at high temperatures. PMID:26764847

  14. Canonical density matrix perturbation theory.

    PubMed

    Niklasson, Anders M N; Cawkwell, M J; Rubensson, Emanuel H; Rudberg, Elias

    2015-12-01

    Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free-energy ensembles in tight-binding, Hartree-Fock, or Kohn-Sham density-functional theory. The canonical density matrix perturbation theory can be used to calculate temperature-dependent response properties from the coupled perturbed self-consistent field equations as in density-functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large nonmetallic materials and metals at high temperatures.

  15. Non-adiabatic current densities, transitions, and power absorbed by a molecule in a time-dependent electromagnetic field

    NASA Astrophysics Data System (ADS)

    Mandal, Anirban; Hunt, Katharine L. C.

    2015-07-01

    The energy of a molecule subject to a time-dependent perturbation separates completely into adiabatic and non-adiabatic terms, where the adiabatic term reflects the adjustment of the ground state to the perturbation, while the non-adiabatic term accounts for the transition energy [A. Mandal and K. L. C. Hunt, J. Chem. Phys. 137, 164109 (2012)]. For a molecule perturbed by a time-dependent electromagnetic field, in this work, we show that the expectation value of the power absorbed by the molecule is equal to the time rate of change of the non-adiabatic term in the energy. The non-adiabatic term is given by the transition probability to an excited state k, multiplied by the transition energy from the ground state to k, and then summed over the excited states. The expectation value of the power absorbed by the molecule is derived from the integral over space of the scalar product of the applied electric field and the non-adiabatic current density induced in the molecule by the field. No net power is absorbed due to the action of the applied electric field on the adiabatic current density. The work done on the molecule by the applied field is the time integral of the power absorbed. The result established here shows that work done on the molecule by the applied field changes the populations of the molecular states.

  16. Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere

    PubMed Central

    Oh, Sangchul; Hu, Xuedong; Nori, Franco; Kais, Sabre

    2016-01-01

    Adiabatic perturbation is shown to be singular from the exact solution of a spin-1/2 particle in a uniformly rotating magnetic field. Due to a non-adiabatic effect, its quantum trajectory on a Bloch sphere is a cycloid traced by a circle rolling along an adiabatic path. As the magnetic field rotates more and more slowly, the time-energy uncertainty, proportional to the length of the quantum trajectory, calculated by the exact solution is entirely different from the one obtained by the adiabatic path traced by the instantaneous eigenstate. However, the non-adiabatic Aharonov- Anandan geometric phase, measured by the area enclosed by the exact path, approaches smoothly the adiabatic Berry phase, proportional to the area enclosed by the adiabatic path. The singular limit of the time-energy uncertainty and the regular limit of the geometric phase are associated with the arc length and arc area of the cycloid on a Bloch sphere, respectively. Prolate and curtate cycloids are also traced by different initial states outside and inside of the rolling circle, respectively. The axis trajectory of the rolling circle, parallel to the adiabatic path, is shown to be an example of transitionless driving. The non-adiabatic resonance is visualized by the number of cycloid arcs. PMID:26916031

  17. Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere.

    PubMed

    Oh, Sangchul; Hu, Xuedong; Nori, Franco; Kais, Sabre

    2016-01-01

    Adiabatic perturbation is shown to be singular from the exact solution of a spin-1/2 particle in a uniformly rotating magnetic field. Due to a non-adiabatic effect, its quantum trajectory on a Bloch sphere is a cycloid traced by a circle rolling along an adiabatic path. As the magnetic field rotates more and more slowly, the time-energy uncertainty, proportional to the length of the quantum trajectory, calculated by the exact solution is entirely different from the one obtained by the adiabatic path traced by the instantaneous eigenstate. However, the non-adiabatic Aharonov-Anandan geometric phase, measured by the area enclosed by the exact path, approaches smoothly the adiabatic Berry phase, proportional to the area enclosed by the adiabatic path. The singular limit of the time-energy uncertainty and the regular limit of the geometric phase are associated with the arc length and arc area of the cycloid on a Bloch sphere, respectively. Prolate and curtate cycloids are also traced by different initial states outside and inside of the rolling circle, respectively. The axis trajectory of the rolling circle, parallel to the adiabatic path, is shown to be an example of transitionless driving. The non-adiabatic resonance is visualized by the number of cycloid arcs. PMID:26916031

  18. Perturbation to Mei Symmetry and Adiabatic Invariants for Disturbed El-Nabulsi's Fractional Birkhoff System

    NASA Astrophysics Data System (ADS)

    Song, Chuan-Jing; Zhang, Yi

    2015-08-01

    For El-Nabulsi's fractional Birkhoff system, Mei symmetry perturbation, the corresponding Mei-type adiabatic invariants and Noether-type adiabatic invariants are investigated in this paper. Firstly, based on El-Nabulsi-Birkhoff fractional equations, Mei symmetry and the corresponding Mei conserved quantity, Noether conserved quantity deduced indirectly by Mei symmetry are studied. Secondly, Mei-type exact invariants and Noether-type exact invariants are given on the basis of the definition of adiabatic invatiant. Thirdly, Mei symmetry perturbation, Mei-type adiabatic invariants and Noether-type adiabatic invariants for the disturbed El-Nabulsi's fractional Birkhoff system are studied. Finally, two examples, Hojman-Urrutia problem for Mei-type adiabatic invariants and another for the Noether-type adiabatic invariants, are given to illustrate the application of the results. Supported by the National Natural Science Foundation of China under Grant Nos. 10972151 and 11272227, and the Innovation Program for Scientific Research of Nanjing University of Science and Technology

  19. Adiabatic corrections to density functional theory energies and wave functions.

    PubMed

    Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas

    2008-09-25

    The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT. PMID:18537228

  20. Adiabatic perturbations in pre-big bang models: Matching conditions and scale invariance

    NASA Astrophysics Data System (ADS)

    Durrer, Ruth; Vernizzi, Filippo

    2002-10-01

    At low energy, the four-dimensional effective action of the ekpyrotic model of the universe is equivalent to a slightly modified version of the pre-big bang model. We discuss cosmological perturbations in these models. In particular we address the issue of matching the perturbations from a collapsing to an expanding phase. We show that, under certain physically motivated and quite generic assumptions on the high energy corrections, one obtains n=0 for the spectrum of scalar perturbations in the original pre-big bang model (with a vanishing potential). With the same assumptions, when an exponential potential for the dilaton is included, a scale invariant spectrum (n=1) of adiabatic scalar perturbations is produced under very generic matching conditions, both in a modified pre-big bang and ekpyrotic scenario. We also derive the resulting spectrum for arbitrary power law scale factors matched to a radiation-dominated era.

  1. Turbulent Density Variations in Non-Adiabatic Interstellar Fluids

    NASA Astrophysics Data System (ADS)

    Higdon, J. C.; Conley, Alex

    1998-05-01

    Analyses of radio scintillation measurements have demonstrated (e.g., Rickett, ARAA, 28, 561, 1990) the existence of ubiquitous turbulent density fluctuations in the interstellar medium. Higdon (ApJ, 309, 342, 1986) and Goldreich and Sridhar (ApJ, 438, 763 1995) have modeled successfully these density variations as entropy structures distorted by convection in anisotropic magnetohydrodynamic turbulent flows. However, the interstellar medium is a heterogeneous non-adiabatic fluid whose thermal properties result ( Field, ApJ, 142, 531 1965) from a balance of heating and cooling rates. The effect of the non-adiabatic nature of interstellar fluids on the properties of turbulent cascades to small scales has not been considered previously. We find that in thermally stable fluids that the required balance of heating and cooling decreases the amplitudes of entropy structures independently of their spatial scale. Consequently, we show that if the time scale for turbulent flows to cascade to small scales is significantly greater than the cooling time of an interstellar fluid, the generation of turbulent denisty density variations at large wave numbers is greatly suppressed. Such results constrain possible values for the turbulent outer scale in models of interstellar turbulent flows.

  2. Degenerate Open Shell Density Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Palenik, Mark; Dunlap, Brett

    The density perturbation theory (DPT) methodology we have developed applies the Hohenberg-Kohn theorem to perturbations in density functional theory. At each order, the energy is directly minimized with respect to the density at all lower orders. The difference between the perturbed and unperturbed densities is expanded in terms of a finite number of basis functions, and a single matrix inversion in this space reduces the complexity of the problem to that of non-interacting perturbation theory. For open-shell systems with symmetry, however, the situation becomes more complex. Typically, the perturbation will break the symmetry leading to a zeroth-order shift in the Kohn-Sham potential. Because the symmetry breaking is independent of the strength of the perturbation, the mapping from the initial to the perturbed KS potential is discontinuous and techniques from perturbation theory for noninteracting particles fail. We describe a rigorous formulation of DPT for use in systems that display an initial degeneracy, such as atoms and Fe55Cp*12 clusters and present initial calculations on these systems.

  3. Perturbation calculation of thermodynamic density of states

    SciTech Connect

    Brown, Greg; Schulthess, Thomas C; Nicholson, Don M; Eisenbach, Markus; Stocks, George Malcolm

    2011-01-01

    The density of states g( ) is frequently used to calculate the temperature-dependent properties of a thermodynamic system. Here a derivation is given for calculating the warped density of states g ( ) resulting from the addition of a perturbation. The method is validated for a classical Heisenberg model of bcc Fe and the errors in the free energy are shown to be second order in the perturbation. Taking the perturbation to be the difference between a first-principles quantum-mechanical energy and a corresponding classical energy, this method can significantly reduce the computational effort required to calculate g( ) for quantum systems using the Wang-Landau approach.

  4. Cosmological density perturbations in a conformal scalar field theory

    NASA Astrophysics Data System (ADS)

    Libanov, M. V.; Rubakov, V. A.

    2012-02-01

    We consider a scenario in which primordial scalar perturbations are generated when a complex conformal scalar field rolls down its negative quartic potential. Initially, these are perturbations of the phase of this field, which are then converted into adiabatic perturbations of the density. The existence of perturbations in the radial field direction, which have a red power spectrum, is a potentially dangerous feature of this scenario. But we show that in the linear order in the small parameter, the self-coupling, the infrared effects are completely nullified by an appropriate field redefinition. We evaluate the statistical anisotropy inherent in the model because of the presence of the long-wave perturbations of the radial field component. In the linear order in the self-coupling, the infrared effects do not affect the statistical anisotropy. They are manifested only at the quadratic order in the self-coupling, weakly (logarithmically) enhancing the corresponding contribution to the statistical anisotropy. The resulting statistical anisotropy is a combination of a large term, which decreases as the momentum increases, and a momentum-independent nonamplified term.

  5. The correlation function for density perturbations in an expanding universe. I - Linear theory

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1977-01-01

    The evolution of the two-point correlation function for adiabatic density perturbations in the early universe is studied. Analytical solutions are obtained for the evolution of linearized spherically symmetric adiabatic density perturbations and the two-point correlation function for these perturbations in the radiation-dominated portion of the early universe. The results are then extended to the regime after decoupling. It is found that: (1) adiabatic spherically symmetric perturbations comparable in scale with the maximum Jeans length would survive the radiation-dominated regime; (2) irregular fluctuations are smoothed out up to the scale of the maximum Jeans length in the radiation era, but regular fluctuations might survive on smaller scales; (3) in general, the only surviving structures for irregularly shaped adiabatic density perturbations of arbitrary but finite scale in the radiation regime are the size of or larger than the maximum Jeans length in that regime; (4) infinite plane waves with a wavelength smaller than the maximum Jeans length but larger than the critical dissipative damping scale could survive the radiation regime; and (5) black holes would also survive the radiation regime and might accrete sufficient mass after decoupling to nucleate the formation of galaxies.

  6. Tent-induced perturbations on areal density of implosions at the National Ignition Facility

    SciTech Connect

    Tommasini, R. Field, J. E.; Hammel, B. A.; Landen, O. L.; Haan, S. W.; Aracne-Ruddle, C.; Benedetti, L. R.; Bradley, D. K.; Callahan, D. A.; Dewald, E. L.; Doeppner, T.; Edwards, M. J.; Hurricane, O. A.; Izumi, N.; Jones, O. A.; Ma, T.; Meezan, N. B.; Nagel, S. R.; Rygg, J. R.; Stadermann, M.; and others

    2015-05-15

    Areal density non-uniformities seeded by time-dependent drive variations and target imperfections in Inertial Confinement Fusion (ICF) targets can grow in time as the capsule implodes, with growth rates that are amplified by instabilities. Here, we report on the first measurements of the perturbations on the density and areal density profiles induced by the membranes used to hold the capsule within the hohlraum in indirect drive ICF targets. The measurements are based on the reconstruction of the ablator density profiles from 2D radiographs obtained using pinhole imaging coupled to area backlighting, as close as 150 ps to peak compression. Our study shows a clear correlation between the modulations imposed on the areal density and measured neutron yield, and a 3× reduction in the areal density perturbations comparing a high-adiabat vs. low-adiabat pulse shape.

  7. Kurtosis, skewness, and non-Gaussian cosmological density perturbations

    NASA Technical Reports Server (NTRS)

    Luo, Xiaochun; Schramm, David N.

    1993-01-01

    Cosmological topological defects as well as some nonstandard inflation models can give rise to non-Gaussian density perturbations. Skewness and kurtosis are the third and fourth moments that measure the deviation of a distribution from a Gaussian. Measurement of these moments for the cosmological density field and for the microwave background temperature anisotropy can provide a test of the Gaussian nature of the primordial fluctuation spectrum. In the case of the density field, the importance of measuring the kurtosis is stressed since it will be preserved through the weakly nonlinear gravitational evolution epoch. Current constraints on skewness and kurtosis of primeval perturbations are obtained from the observed density contrast on small scales and from recent COBE observations of temperature anisotropies on large scales. It is also shown how, in principle, future microwave anisotropy experiments might be able to reveal the initial skewness and kurtosis. It is shown that present data argue that if the initial spectrum is adiabatic, then it is probably Gaussian, but non-Gaussian isocurvature fluctuations are still allowed, and these are what topological defects provide.

  8. Perturbation calculation of thermodynamic density of states.

    PubMed

    Brown, G; Schulthess, T C; Nicholson, D M; Eisenbach, M; Stocks, G M

    2011-12-01

    The density of states g (ε) is frequently used to calculate the temperature-dependent properties of a thermodynamic system. Here a derivation is given for calculating the warped density of states g*(ε) resulting from the addition of a perturbation. The method is validated for a classical Heisenberg model of bcc Fe and the errors in the free energy are shown to be second order in the perturbation. Taking the perturbation to be the difference between a first-principles quantum-mechanical energy and a corresponding classical energy, this method can significantly reduce the computational effort required to calculate g(ε) for quantum systems using the Wang-Landau approach.

  9. Silk damping at a redshift of a billion: new limit on small-scale adiabatic perturbations.

    PubMed

    Jeong, Donghui; Pradler, Josef; Chluba, Jens; Kamionkowski, Marc

    2014-08-01

    We study the dissipation of small-scale adiabatic perturbations at early times when the Universe is hotter than T≃0.5  keV. When the wavelength falls below the damping scale k(D)(-1), the acoustic modes diffuse and thermalize, causing entropy production. Before neutrino decoupling, k(D) is primarily set by the neutrino shear viscosity, and we study the effect of acoustic damping on the relic neutrino number, primordial nucleosynthesis, dark-matter freeze-out, and baryogenesis. This sets a new limit on the amplitude of primordial fluctuations of Δ(R)(2)<0.007 at 10(4)  Mpc(-1)≲k≲10(5)  Mpc(-1) and a model-dependent limit of Δ(R)(2)≲0.3 at k≲10(20-25)  Mpc(-1). PMID:25148313

  10. Density perturbations in general modified gravitational theories

    SciTech Connect

    De Felice, Antonio; Tsujikawa, Shinji; Mukohyama, Shinji

    2010-07-15

    We derive the equations of linear cosmological perturbations for the general Lagrangian density f(R,{phi},X)/2+L{sub c}, where R is a Ricci scalar, {phi} is a scalar field, and X=-{partial_derivative}{sup {mu}{phi}{partial_derivative}}{sub {mu}{phi}/}2 is a field kinetic energy. We take into account a nonlinear self-interaction term L{sub c}={xi}({phi}) {open_square}{phi}({partial_derivative}{sup {mu}{phi}{partial_derivative}}{sub {mu}{phi}}) recently studied in the context of ''Galileon'' cosmology, which keeps the field equations at second order. Taking into account a scalar-field mass explicitly, the equations of matter density perturbations and gravitational potentials are obtained under a quasistatic approximation on subhorizon scales. We also derive conditions for the avoidance of ghosts and Laplacian instabilities associated with propagation speeds. Our analysis includes most of modified gravity models of dark energy proposed in literature; and thus it is convenient to test the viability of such models from both theoretical and observational points of view.

  11. Formation of Voids from Negative Density Perturbations

    NASA Astrophysics Data System (ADS)

    de Araujo, J. C. N.; Opher, R.

    1990-11-01

    RESUMEN. Se estudia la formaci6n de huecos a partir de un espectro negativo de perturbaciones, tomando en cuenta la expansi6n del Universo, arrastre por fotones, enfriamiento por fotones, fotoionizaci6n, ioniza- ci6n colisional, enfriamiento Lyman a y la formaci6n y enfriamiento de moleculas H2. Nuestros resultados predicen la existencia de regiones 1/10 de Ia densidad promedio para regiones de masa lO - 1O10M . ABSTRACT. In the present paer we study the formation of voids from a negative spectrum of perturbations taking into account the expansion of the Universe, photon-drag, photon-cooling, photoionization, collisional ionization, Lyman a cooling and the formation and cooling of 112 molecules. Our results predict the existence of regions 1/10 the average density for regions of mass 1O - 1O10M@ : CLUSTERS-GALAXIES - COSMOLOGY

  12. Constraints on primordial density perturbations from induced gravitational waves

    SciTech Connect

    Assadullahi, Hooshyar; Wands, David

    2010-01-15

    We consider the stochastic background of gravitational waves produced during the radiation-dominated hot big bang as a constraint on the primordial density perturbation on comoving length scales much smaller than those directly probed by the cosmic microwave background or large-scale structure. We place weak upper bounds on the primordial density perturbation from current data. Future detectors such as BBO and DECIGO will place much stronger constraints on the primordial density perturbation on small scales.

  13. Flexoelectricity from density-functional perturbation theory

    NASA Astrophysics Data System (ADS)

    Stengel, Massimiliano

    2013-11-01

    We derive the complete flexoelectric tensor, including electronic and lattice-mediated effects, of an arbitrary insulator in terms of the microscopic linear response of the crystal to atomic displacements. The basic ingredient, which can be readily calculated from first principles in the framework of density-functional perturbation theory, is the quantum-mechanical probability current response to a long-wavelength acoustic phonon. Its second-order Taylor expansion in the wave vector q around the Γ (q=0) point in the Brillouin zone naturally yields the flexoelectric tensor. At order one in q we recover Martin's theory of piezoelectricity [Martin, Phys. Rev. B 5, 1607 (1972)], thus providing an alternative derivation thereof. To put our derivations on firm theoretical grounds, we perform a thorough analysis of the nonanalytic behavior of the dynamical matrix and other response functions in a vicinity of Γ. Based on this analysis, we find that there is an ambiguity in the specification of the “zero macroscopic field” condition in the flexoelectric case; such arbitrariness can be related to an analytic band-structure term, in close analogy to the theory of deformation potentials. As a by-product, we derive a rigorous generalization of the Cochran-Cowley formula [Cochran and Cowley, J. Phys. Chem. Solids 23, 447 (1962)] to higher orders in q. This can be of great utility in building reliable atomistic models of electromechanical phenomena, as well as for improving the accuracy of the calculation of phonon dispersion curves. Finally, we discuss the physical interpretation of the various contributions to the flexoelectric response, either in the static or dynamic regime, and we relate our findings to earlier theoretical works on the subject.

  14. Perturbative QCD at Finite Temperature and Density

    NASA Astrophysics Data System (ADS)

    Niégawa, A.

    This is a comprehensive review on the perturbative hot QCD including the recent developments. The main body of the review is concentrated upon dealing with physical quantities like reaction rates. Contents: S1. Introduction, S2. Perturbative thermal field theory: Feynman rules, S3. Reaction-rate formula, S4. Hard-thermal-loop resummation scheme in hot QCD, S5. Effective action, S6. Hard modes with |P2| ≤ O (g2 T2), S7. Application to the computation of physical quantities, S8. Beyond the hard-thermal-loop resummation scheme, S9. Conclusions.

  15. Scale invariant density perturbations from cyclic cosmology

    NASA Astrophysics Data System (ADS)

    Frampton, Paul Howard

    2016-04-01

    It is shown how quantum fluctuations of the radiation during the contraction era of a comes back empty (CBE) cyclic cosmology can provide density fluctuations which re-enter the horizon during the subsequent expansion era and at lowest order are scale invariant, in a Harrison-Zel’dovich-Peebles sense. It is necessary to be consistent with observations of large scale structure.

  16. Alchemical Free Energy Differences in Flexible Molecules from Thermodynamic Integration or Free Energy Perturbation Combined with Driven Adiabatic Dynamics.

    PubMed

    Cuendet, Michel A; Tuckerman, Mark E

    2012-10-01

    Alchemical free energy simulations are commonly used to calculate relative binding or solvation free energies in molecular systems. The convergence of alchemical free energy calculations is often hampered by inefficient sampling of the conformational degrees of freedom, which remain trapped in metastable substates. Here, we show that thermodynamic integration (TI) or free energy perturbation (FEP) can be combined with the recent driven adiabatic free energy dynamics (dAFED) method, in order to enhance conformational sampling along a set of chosen collective variables. The resulting TI-dAFED or FEP-dAFED methods are validated on a two-dimensional analytical problem. The ability of these methods to provide accurate free energy differences for realistic molecular systems is demonstrated by calculating the enantiomerization free energy of the alanine dipeptide in explicit solvent.

  17. Quasi-classical theory of electronic flux density in electronically adiabatic molecular processes.

    PubMed

    Diestler, D J

    2012-11-26

    The standard Born-Oppenheimer (BO) description of electronically adiabatic molecular processes predicts a vanishing electronic flux density (EFD). A previously proposed "coupled-channels" theory permits the extraction of the EFD from the BO wave function for one-electron diatomic systems, but attempts at generalization to many-electron polyatomic systems are frustrated by technical barriers. An alternative "quasi-classical" approach, which eliminates the explicit quantum dynamics of the electrons within a classical framework, yet retains the quantum character of the nuclear motion, appears capable of yielding EFDs for arbitrarily complex systems. Quasi-classical formulas for the EFD in simple systems agree with corresponding coupled-channels formulas. Results of the application of the new quasi-classical formula for the EFD to a model triatomic system indicate the potential of the quasi-classical scheme to elucidate the dynamical role of electrons in electronically adiabatic processes in more complex multiparticle systems.

  18. Density matrix treatment of non-adiabatic photoinduced electron transfer at a semiconductor surface.

    PubMed

    Micha, David A

    2012-12-14

    Photoinduced electron transfer at a nanostructured surface leads to localized transitions and involves three different types of non-adiabatic couplings: vertical electronic transitions induced by light absorption emission, coupling of electronic states by the momentum of atomic motions, and their coupling due to interactions with electronic density fluctuations and vibrational motions in the substrate. These phenomena are described in a unified way by a reduced density matrix (RDM) satisfying an equation of motion that contains dissipative rates. The RDM treatment is used here to distinguish non-adiabatic phenomena that are localized from those due to interaction with a medium. The fast decay of localized state populations due to electronic density fluctuations in the medium has been treated within the Lindblad formulation of rates. The formulation is developed introducing vibronic states constructed from electron orbitals available from density functional calculations, and from vibrational states describing local atomic displacements. Related ab initio molecular dynamics calculations have provided diabatic momentum couplings between excited electronic states. This has been done in detail for an indirect photoexcitation mechanism of the surface Ag(3)Si(111):H, which leads to long lasting electronic charge separation. The resulting coupled density matrix equations are solved numerically to obtain the population of the final charge-separated state as it changes over time, for several values of the diabatic momentum coupling. New insight and unexpected results are presented here which can be understood in terms of photoinduced non-adiabatic transitions involving many vibronic states. It is found that the population of long lasting charge separation states is larger for smaller momentum coupling, and that their population grows faster for smaller coupling.

  19. Internal wave pressure, velocity, and energy flux from density perturbations

    NASA Astrophysics Data System (ADS)

    Allshouse, Michael R.; Lee, Frank M.; Morrison, Philip J.; Swinney, Harry L.

    2016-05-01

    Determination of energy transport is crucial for understanding the energy budget and fluid circulation in density varying fluids such as the ocean and the atmosphere. However, it is rarely possible to determine the energy flux field J =p u , which requires simultaneous measurements of the pressure and velocity perturbation fields p and u , respectively. We present a method for obtaining the instantaneous J (x ,z ,t ) from density perturbations alone: A Green's function-based calculation yields p ; u is obtained by integrating the continuity equation and the incompressibility condition. We validate our method with results from Navier-Stokes simulations: The Green's function method is applied to the density perturbation field from the simulations and the result for J is found to agree typically to within 1% with J computed directly using p and u from the Navier-Stokes simulation. We also apply the Green's function method to density perturbation data from laboratory schlieren measurements of internal waves in a stratified fluid and the result for J agrees to within 6 % with results from Navier-Stokes simulations. Our method for determining the instantaneous velocity, pressure, and energy flux fields applies to any system described by a linear approximation of the density perturbation field, e.g., to small-amplitude lee waves and propagating vertical modes. The method can be applied using our matlab graphical user interface EnergyFlux.

  20. Right-handed neutrinos as the source of density perturbations

    SciTech Connect

    Boubekeur, Lotfi; Creminelli, Paolo

    2006-05-15

    We study the possibility that cosmological density perturbations are generated by the inhomogeneous decay of right-handed neutrinos. This will occur if a scalar field whose fluctuations are created during inflation is coupled to the neutrino sector. Robust predictions of the model are a detectable level of non-Gaussianity and, if standard leptogenesis is the source of the baryon asymmetry, a baryon isocurvature perturbations at the level of the present experimental constraints.

  1. Coupled-channels quantum theory of electronic flux density in electronically adiabatic processes: fundamentals.

    PubMed

    Diestler, D J

    2012-03-22

    The Born-Oppenheimer (BO) description of electronically adiabatic molecular processes predicts a vanishing electronic flux density (j(e)), =1/2∫dR[Δ(b) (x;R) - Δ(a) (x;R)] even though the electrons certainly move in response to the movement of the nuclei. This article, the first of a pair, proposes a quantum-mechanical "coupled-channels" (CC) theory that allows the approximate extraction of j(e) from the electronically adiabatic BO wave function . The CC theory is detailed for H(2)(+), in which case j(e) can be resolved into components associated with two channels α (=a,b), each of which corresponds to the "collision" of an "internal" atom α (proton a or b plus electron) with the other nucleus β (proton b or a). The dynamical role of the electron, which accommodates itself instantaneously to the motion of the nuclei, is submerged in effective electronic probability (population) densities, Δ(α), associated with each channel (α). The Δ(α) densities are determined by the (time-independent) BO electronic energy eigenfunction, which depends parametrically on the configuration of the nuclei, the motion of which is governed by the usual BO nuclear Schrödinger equation. Intuitively appealing formal expressions for the electronic flux density are derived for H(2)(+).

  2. Meta-GGA-based adiabatic time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Nazarov, Vladimir; Vignale, Giovanni

    2012-02-01

    The local-density approximation (LDA) to the ground-state density functional theory (DFT) is well known to allow for a generalization to the time-dependent case [1]. The assumption of the adiabaticity of the process greatly simplifies the theory. The further extension of the time-dependent DFT (TDDFT) to the generalized gradient approximation (GGA) is trivial. Here we address lifting the adiabatic TDDFT to the third rung of the ``Jacobs ladder'' [2] : We work out the kinetic energy density dependent (meta-GGA) TDDFT formalism. The new theory possesses remarkable properties not present in LDA and GGA: (i) It is non-local with respect to the particle density; (ii) In the case of bulk semiconductors, it supports the 1/q^2 singularity of the exchange-correlation kernel, where q is the wave-vector, the latter being important to reproduce the excitonic effect. We also present illustrative calculations of the optical absorption in semiconductors [3]. [4pt] [1] A. Zangwill and P. Soven, Phys. Rev. A, 21, 1561 (1980).[0pt] [2] J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003).[0pt] [3] V. U. Nazarov and G. Vignale, Phys. Rev. Lett. 107, 216402(2011).

  3. Adiabatic and nonadiabatic perturbation theory for coherence vector description of neutrino oscillations

    NASA Astrophysics Data System (ADS)

    Hollenberg, Sebastian; Päs, Heinrich

    2012-01-01

    The standard wave function approach for the treatment of neutrino oscillations fails in situations where quantum ensembles at a finite temperature with or without an interacting background plasma are encountered. As a first step to treat such phenomena in a novel way, we propose a unified approach to both adiabatic and nonadiabatic two-flavor oscillations in neutrino ensembles with finite temperature and generic (e.g., matter) potentials. Neglecting effects of ensemble decoherence for now, we study the evolution of a neutrino ensemble governed by the associated quantum kinetic equations, which apply to systems with finite temperature. The quantum kinetic equations are solved formally using the Magnus expansion and it is shown that a convenient choice of the quantum mechanical picture (e.g., the interaction picture) reveals suitable parameters to characterize the physics of the underlying system (e.g., an effective oscillation length). It is understood that this method also provides a promising starting point for the treatment of the more general case in which decoherence is taken into account.

  4. Evolution of density perturbations in f(R) gravity

    SciTech Connect

    Carloni, S.; Dunsby, P. K. S.; Troisi, A.

    2008-01-15

    We give a rigorous and mathematically well defined presentation of the covariant and gauge invariant theory of scalar perturbations of a Friedmann-Lemaitre-Robertson-Walker universe for fourth order gravity, where the matter is described by a perfect fluid with a barotropic equation of state. The general perturbations equations are applied to a simple background solution of R{sup n} gravity. We obtain exact solutions of the perturbations equations for scales much bigger than the Hubble radius. These solutions have a number of interesting features. In particular, we find that for all values of n there is always a growing mode for the density contrast, even if the universe undergoes an accelerated expansion. Such behavior does not occur in standard general relativity, where as soon as dark energy dominates, the density contrast experiences an unrelenting decay. This peculiarity is sufficiently novel to warrant further investigation of fourth order gravity models.

  5. Statistics of primordial density perturbations from discrete seed masses

    NASA Technical Reports Server (NTRS)

    Scherrer, Robert J.; Bertschinger, Edmund

    1991-01-01

    The statistics of density perturbations for general distributions of seed masses with arbitrary matter accretion is examined. Formal expressions for the power spectrum, the N-point correlation functions, and the density distribution function are derived. These results are applied to the case of uncorrelated seed masses, and power spectra are derived for accretion of both hot and cold dark matter plus baryons. The reduced moments (cumulants) of the density distribution are computed and used to obtain a series expansion for the density distribution function. Analytic results are obtained for the density distribution function in the case of a distribution of seed masses with a spherical top-hat accretion pattern. More generally, the formalism makes it possible to give a complete characterization of the statistical properties of any random field generated from a discrete linear superposition of kernels. In particular, the results can be applied to density fields derived by smoothing a discrete set of points with a window function.

  6. Influence of cosmological transitions on the evolution of density perturbations

    NASA Astrophysics Data System (ADS)

    Martin, Jérôme; Schwarz, Dominik J.

    1998-03-01

    We study the influence of the reheating and equality transitions on superhorizon density perturbations and gravitational waves. Recent criticisms of the ``standard result'' for large-scale perturbations in inflationary cosmology are rectified. The claim that the ``conservation law'' for the amplitude of superhorizon modes was empty is shown to be wrong. For sharp transitions, i.e. the pressure jumps, we rederive the Deruelle-Mukhanov junction conditions. For a smooth transition we correct a result obtained by Grishchuk recently. We show that the junction conditions are not crucial, because the pressure is continuous during the reheating transition. The problem occurred because the perturbed metric was not evolved correctly through the smooth reheating transition. Finally, we derive the ``standard result'' within Grishchuk's smooth (reheating) transition.

  7. Plasma actuator electron density measurement using microwave perturbation method

    NASA Astrophysics Data System (ADS)

    Mirhosseini, Farid; Colpitts, Bruce

    2014-07-01

    A cylindrical dielectric barrier discharge plasma under five different pressures is generated in an evacuated glass tube. This plasma volume is located at the center of a rectangular copper waveguide cavity, where the electric field is maximum for the first mode and the magnetic field is very close to zero. The microwave perturbation method is used to measure electron density and plasma frequency for these five pressures. Simulations by a commercial microwave simulator are comparable to the experimental results.

  8. Plasma actuator electron density measurement using microwave perturbation method

    SciTech Connect

    Mirhosseini, Farid; Colpitts, Bruce

    2014-07-21

    A cylindrical dielectric barrier discharge plasma under five different pressures is generated in an evacuated glass tube. This plasma volume is located at the center of a rectangular copper waveguide cavity, where the electric field is maximum for the first mode and the magnetic field is very close to zero. The microwave perturbation method is used to measure electron density and plasma frequency for these five pressures. Simulations by a commercial microwave simulator are comparable to the experimental results.

  9. Wintertime density perturbations near 50 km in relation to latitude

    NASA Technical Reports Server (NTRS)

    Quiroz, R. S.

    1977-01-01

    Standard and reference atmospheres which depict the horizontal distribution of air density in the stratosphere and mesosphere are not realistic in that they do not provide information on the large departures from standard that may occur during a given month, nor on the time- and space-scales of atmospheric perturbations responsible for these departures. In the present paper, it is shown how this information can be obtained from a special analysis of satellite radiance measurements. Plots of the mean zonal radiance, obtained with the VTPR instrument, and the corresponding 50-km density show not only the expected strong poleward gradient of density, but also a strong density surge from late December to early January, affecting all latitudes.

  10. Non-scale-invariant density perturbations from chaotic extended inflation

    SciTech Connect

    Mollerach, S. ); Matarrese, S. )

    1992-03-15

    Chaotic inflation is analyzed in the frame of scalar-tensor theories of gravity. Fluctuations in the energy density arise from quantum fluctuations of the Brans-Dicke field and of the inflaton field. The spectrum of perturbations is studied for a class of models: it is non-scale-invariant and, for certain values of the parameters, it has a peak. If the peak appears at astrophysically interesting scales it may help to reconcile the cold-dark-matter scenario for structure formation with large-scale observations.

  11. Non scale-invariant density perturbations from chaotic extended inflation

    NASA Technical Reports Server (NTRS)

    Mollerach, Silvia; Matarrese, Sabino

    1991-01-01

    Chaotic inflation is analyzed in the frame of scalar-tensor theories of gravity. Fluctuations in the energy density arise from quantum fluctuations of the Brans-Dicke field and of the inflation field. The spectrum of perturbations is studied for a class of models: it is non scale-invarient and, for certain values of the parameters, it has a peak. If the peak appears at astrophysically interesting scales, it may help to reconcile the Cold Dark Matter scenario for structure formation with large scale observations.

  12. Density functional theory beyond the linear regime: Validating an adiabatic local density approximation

    SciTech Connect

    Helbig, N.; Fuks, J. I.; Verstraete, M. J.; Marques, M. A. L.; Tokatly, I. V.; Rubio, A.

    2011-03-15

    We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte Carlo calculations. Results for the ground-state energies and ionization potentials of finite 1D systems show excellent agreement with exact calculations obtained by exploiting the mapping of an N-electron system in d dimensions onto a single electron in Nxd dimensions, properly symmetrized by the Young diagrams. We conclude that 1D LDA is of the same quality as its three-dimensional (3D) counterpart, and we infer conclusions about 3D LDA. The linear and nonlinear time-dependent responses of 1D model systems using LDA, exact exchange, and the exact solution are investigated and show very good agreement in both cases, except for the well-known problem of missing double excitations. Consequently, the 3D LDA is expected to be of good quality beyond the linear response. In addition, the 1D LDA should prove useful in modeling the interaction of atoms with strong laser fields, where this specific 1D model is often used.

  13. Density perturbations and the cosmological constant from inflationary landscapes

    SciTech Connect

    Feldstein, Brian; Hall, Lawrence J.; Watari, Taizan

    2005-12-15

    An anthropic understanding of the cosmological constant requires that the vacuum energy at late time scans from one patch of the universe to another. If the vacuum energy during inflation also scans, the various patches of the universe acquire exponentially differing volumes. In a generic landscape with slow-roll inflation, we find that this gives a steeply varying probability distribution for the normalization of the primordial density perturbations, resulting in an exponentially small fraction of observers measuring the Cosmic Background Explorer value of 10{sup -5}. Inflationary landscapes should avoid this ''{sigma} problem,'' and we explore features that can allow them to do that. One possibility is that, prior to slow-roll inflation, the probability distribution for vacua is extremely sharply peaked, selecting essentially a single anthropically allowed vacuum. Such a selection could occur in theories of eternal inflation. A second possibility is that the inflationary landscape has a special property: although scanning leads to patches with volumes that differ exponentially, the value of the density perturbation does not vary under this scanning. This second case is preferred over the first, partly because a flat inflaton potential can result from anthropic selection, and partly because the anthropic selection of a small cosmological constant is more successful.

  14. Examining the specific entropy (density of adiabatic invariants) of the outer electron radiation belt

    SciTech Connect

    Borovsky, Joseph E; Denton, Michael H

    2008-01-01

    Using temperature and number-density measurements of the energetic-electron population from multiple spacecraft in geosynchronous orbit, the specific entropy S = T/n{sup 2/3} of the outer electron radiation belt is calculated. Then 955,527 half-hour-long data intervals are statistically analyzed. Local-time and solar-cycle variations in S are examined. The median value of the specific entropy (2.8 x 10{sup 7} eVcm{sup 2}) is much larger than the specific entropy of other particle populations in and around the magnetosphere. The evolution of the specific entropy through high-speed-stream-driven geomagnetic storms and through magnetic-cloud-driven geomagnetic storms is studied using superposed-epoch analysis. For high-speed-stream-driven storms, systematic variations in the entropy associated with electron loss and gain and with radiation-belt heating are observed in the various storm phases. For magnetic-cloud-driven storms, multiple trigger choices for the data superpositions reveal the effects of interplanetary shock arrival, sheath driving, cloud driving, and recovery phase. The specific entropy S = T/n{sup 2/3} is algebraically expressed in terms of the first and second adiabatic invariants of the electrons: this allows a relativistic expression for S in terms of T and n to be derived. For the outer electron radiation belt at geosynchronous orbit, the relativistic corrections to the specific entropy expression are -15%.

  15. Statistical mechanics of Roskilde liquids: Configurational adiabats, specific heat contours, and density dependence of the scaling exponent

    SciTech Connect

    Bailey, Nicholas P.; Bøhling, Lasse; Veldhorst, Arno A.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2013-11-14

    We derive exact results for the rate of change of thermodynamic quantities, in particular, the configurational specific heat at constant volume, C{sub V}, along configurational adiabats (curves of constant excess entropy S{sub ex}). Such curves are designated isomorphs for so-called Roskilde liquids, in view of the invariance of various structural and dynamical quantities along them. The slope of the isomorphs in a double logarithmic representation of the density-temperature phase diagram, γ, can be interpreted as one third of an effective inverse power-law potential exponent. We show that in liquids where γ increases (decreases) with density, the contours of C{sub V} have smaller (larger) slope than configurational adiabats. We clarify also the connection between γ and the pair potential. A fluctuation formula for the slope of the C{sub V}-contours is derived. The theoretical results are supported with data from computer simulations of two systems, the Lennard-Jones fluid, and the Girifalco fluid. The sign of dγ/dρ is thus a third key parameter in characterizing Roskilde liquids, after γ and the virial-potential energy correlation coefficient R. To go beyond isomorph theory we compare invariance of a dynamical quantity, the self-diffusion coefficient, along adiabats and C{sub V}-contours, finding it more invariant along adiabats.

  16. Statistical mechanics of Roskilde liquids: configurational adiabats, specific heat contours, and density dependence of the scaling exponent.

    PubMed

    Bailey, Nicholas P; Bøhling, Lasse; Veldhorst, Arno A; Schrøder, Thomas B; Dyre, Jeppe C

    2013-11-14

    We derive exact results for the rate of change of thermodynamic quantities, in particular, the configurational specific heat at constant volume, CV, along configurational adiabats (curves of constant excess entropy Sex). Such curves are designated isomorphs for so-called Roskilde liquids, in view of the invariance of various structural and dynamical quantities along them. The slope of the isomorphs in a double logarithmic representation of the density-temperature phase diagram, γ, can be interpreted as one third of an effective inverse power-law potential exponent. We show that in liquids where γ increases (decreases) with density, the contours of CV have smaller (larger) slope than configurational adiabats. We clarify also the connection between γ and the pair potential. A fluctuation formula for the slope of the CV-contours is derived. The theoretical results are supported with data from computer simulations of two systems, the Lennard-Jones fluid, and the Girifalco fluid. The sign of dγ∕dρ is thus a third key parameter in characterizing Roskilde liquids, after γ and the virial-potential energy correlation coefficient R. To go beyond isomorph theory we compare invariance of a dynamical quantity, the self-diffusion coefficient, along adiabats and CV-contours, finding it more invariant along adiabats.

  17. Precise effective masses from density functional perturbation theory

    NASA Astrophysics Data System (ADS)

    Laflamme Janssen, J.; Gillet, Y.; Poncé, S.; Martin, A.; Torrent, M.; Gonze, X.

    2016-05-01

    The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto)transport properties, or band extrema characteristics yielding carrier densities and density of states. Currently, these masses are usually calculated using finite-difference estimation of density functional theory (DFT) electronic band curvatures. However, finite differences require an additional convergence study and are prone to numerical noise. Moreover, the concept of effective mass breaks down at degenerate band extrema. We assess the former limitation by developing a method that allows to obtain the Hessian of DFT bands directly, using density functional perturbation theory. Then, we solve the latter issue by adapting the concept of "transport equivalent effective mass" to the k .p ̂ framework. The numerical noise inherent to finite-difference methods is thus eliminated, along with the associated convergence study. The resulting method is therefore more general, more robust, and simpler to use, which makes it especially appropriate for high-throughput computing. After validating the developed techniques, we apply them to the study of silicon, graphane, and arsenic. The formalism is implemented into the abinit software and supports the norm-conserving pseudopotential approach, the projector augmented-wave method, and the inclusion of spin-orbit coupling. The derived expressions also apply to the ultrasoft pseudopotential method.

  18. Analytical energy gradients for second-order multireference perturbation theory using density fitting.

    PubMed

    Győrffy, Werner; Shiozaki, Toru; Knizia, Gerald; Werner, Hans-Joachim

    2013-03-14

    We present algorithms for computing analytical energy gradients for multi-configuration self-consistent field methods and partially internally contracted complete active space second-order perturbation theory (CASPT2) using density fitting (DF). Our implementation is applicable to both single-state and multi-state CASPT2 analytical gradients. The accuracy of the new methods is demonstrated for structures and excitation energies of valence and Rydberg states of pyrrole, as well as for structures and adiabatic singlet-triplet energy splittings for the hydro-, the O,O(')-formato-, and the N,N(')-diiminato-copper-dioxygen complexes. It is shown that the effects of density fitting on optimized structures and relative energies are negligible. For cases in which the total cost is dominated by the integral evaluations and transformations, the DF-CASPT2 gradient calculations are found to be faster than the corresponding conventional calculations by typically a factor of three to five using triple-ζ basis sets, and by about a factor of ten using quadruple-ζ basis sets.

  19. Adiabatic Mass Parameters for Spontaneous Fission

    SciTech Connect

    Baran, A.; Sheikh, J. A.; Nazarewicz, Witold

    2009-01-01

    The collective mass tensor derived from the adiabatic time-dependent Hartree-Fock-Bogoliubov theory, perturbative cranking approximation, and the Gaussian overlap approximation to the generator-coordinate method is discussed. Illustrative calculations are carried out for ^{252}Fm using the nuclear density functional theory with Skyrme interaction SkM* and seniority pairing.

  20. Matter density perturbation and power spectrum in running vacuum model

    NASA Astrophysics Data System (ADS)

    Geng, Chao-Qiang; Lee, Chung-Chi

    2016-10-01

    We investigate the matter density perturbation δm and power spectrum P(k) in the running vacuum model (RVM) with the cosmological constant being a function of the Hubble parameter, given by Λ = Λ0 + 6σHH0 + 3νH2, in which the linear and quadratic terms of H would originate from the QCD vacuum condensation and cosmological renormalization group, respectively. Taking the dark energy perturbation into consideration, we derive the evolution equation for δm and find a specific scale dcr = 2π/kcr, which divides the evolution of the universe into the sub and super-interaction regimes, corresponding to k ≪ kcr and k ≫ kcr, respectively. For the former, the evolution of δm has the same behavior as that in the ΛCDM model, while for the latter, the growth of δm is frozen (greatly enhanced) when ν + σ > ( < )0 due to the couplings between radiation, matter and dark energy. It is clear that the observational data rule out the cases with ν < 0 and ν + σ < 0, while the allowed window for the model parameters is extremely narrow with ν , |σ | ≲ {O}(10^{-7}).

  1. Density-matrix-spectroscopic algorithm for excited-state adiabatic surfaces and molecular dynamics of a protonated Schiff base

    NASA Astrophysics Data System (ADS)

    Tsiper, E. V.; Chernyak, V.; Tretiak, S.; Mukamel, S.

    1999-05-01

    Excited-state potentials of a short protonated Schiff base cation which serves as a model for the photoisomerization of retinal are computed by combining a semi-empirical ground-state adiabatic surface with excitation energies obtained using the time-dependent coupled electronic oscillator (CEO) approach. Excited-state molecular dynamic simulation of the in-plane motion of cis-C5H6NH2+ following impulsive optical excitation reveals a dominating 1754 cm-1 π-conjugation mode. A new molecular dynamics algorithm is proposed which resembles the Car-Parinello ground-state technique and is based on the adiabatic propagation of the ground-state single-electron density matrix and the collective electronic modes along the trajectory.

  2. Propagation in 3D of microwaves through density perturbations

    NASA Astrophysics Data System (ADS)

    Williams, T. R. N.; Köhn, A.; O'Brien, M. R.; Vann, R. G. L.

    2014-07-01

    Simulations using 3D and 2D full-wave codes have shown that edge filaments in tokamak plasmas can significantly affect the propagation of microwaves across a broad frequency spectrum, resulting in scattering angles of up to 46°. Parameter scans were carried out for density perturbations comparable in width and amplitude to MAST filaments and the effect on the measured emission was calculated. 3D effects were discovered in the case of an obliquely incident beam. In general, the problem of electromagnetic propagation past wavelength-sized 3D inhomogeneities is not well understood, yet is of importance for both heating and diagnostic applications in the electron cyclotron frequency range for tokamaks, as well as atmospheric physics. To improve this understanding, a new cold-plasma code, EMIT-3D, was written to extend full-wave microwave simulations in magnetized plasmas to 3D, and make comparisons to the existing 2D code IPF-FDMC. This work supports MAST experiments using the SAMI diagnostic to image microwave emission from the plasma edge due to mode conversion from electron Bernstein waves. Significant fluctuations in the SAMI data mean that detailed modelling is required to improve its interpretation.

  3. Excited-state nuclear forces on adiabatic potential-energy surfaces by time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Haruyama, Jun; Suzuki, Takahiro; Hu, Chunping; Watanabe, Kazuyuki

    2012-01-01

    We present a simple and computationally efficient method to calculate excited-state nuclear forces on adiabatic potential-energy surfaces (APES) from linear-response time-dependent density-functional theory within a real-space framework. The Casida ansatz, which has been validated for computing first-order nonadiabatic couplings in previous studies, was applied to the calculation of the excited-state forces. Our method is validated by the consistency of results in the lower excited states, which reproduce well those obtained by the numerical derivative of each APES. We emphasize the usefulness of this technique by demonstrating the excited-state molecular-dynamics simulation.

  4. Comment on ``Density perturbations in the ekpyrotic scenario''

    NASA Astrophysics Data System (ADS)

    Martin, Jérôme; Peter, Patrick; Pinto-Neto, Nelson; Schwarz, Dominik J.

    2003-01-01

    In the paper by J. Khoury et al., Phys. Rev. D 66, 046005 (2002), it is argued that the expected spectrum of primordial perturbations should be scale invariant in this scenario. Here we show that, contrary to what is claimed in that paper, the expected spectrum depends on an arbitrary choice of matching variable. As no underlying (microphysical) principle exists at the present time that could lift the arbitrariness, we conclude that the ekpyrotic scenario is not yet a predictive model.

  5. Cosmological density perturbations from conformal scalar field: infrared properties and statistical anisotropy

    NASA Astrophysics Data System (ADS)

    Libanov, M.; Rubakov, V.

    2010-11-01

    We consider a scenario in which primordial scalar perturbations are generated when complex conformal scalar field rolls down its negative quartic potential. Initially, these are the perturbations of the phase of this field; they are converted into the adiabatic perturbations at a later stage. A potentially dangerous feature of this scenario is the existence of perturbations in the radial field direction, which have red power spectrum. We show, however, that to the linear order in the small parameter — the quartic self-coupling — the infrared effects are completely harmless, as they can be absorbed into field redefinition. We then evaluate the statistical anisotropy inherent in the model due to the existence of the long-ranged radial perturbations. To the linear order in the quartic self-coupling the statistical anisotropy is free of the infrared effects. The latter show up at the quadratic order in the self-coupling and result in the mild (logarithmic) enhancement of the corresponding contribution to the statistical anisotropy. The resulting statistical anisotropy is a combination of a larger term which, however, decays as momentum increases, and a smaller term which is independent of momentum.

  6. Coupled-channels quantum theory of electronic flux density in electronically adiabatic processes: application to the hydrogen molecule ion.

    PubMed

    Diestler, D J; Kenfack, A; Manz, J; Paulus, B

    2012-03-22

    This article presents the results of the first quantum simulations of the electronic flux density (j(e)) by the "coupled-channels" (CC) theory, the fundamentals of which are presented in the previous article [Diestler, D. J. J. Phys. Chem. A 2012, DOI: 10.1021/jp207843z]. The principal advantage of the CC scheme is that it employs exclusively standard methods of quantum chemistry and quantum dynamics within the framework of the Born-Oppenheimer approximation (BOA). The CC theory goes beyond the BOA in that it yields a nonzero j(e) for electronically adiabatic processes, in contradistinction to the BOA itself, which always gives j(e) = 0. The CC is applied to oriented H(2)(+) vibrating in the electronic ground state ((2)Σ(g)(+)), for which the nuclear and electronic flux densities evolve on a common time scale of about 22 fs per vibrational period. The system is chosen as a touchstone for the CC theory, because it is the only one for which highly accurate flux densities have been calculated numerically without invoking the BOA [Barth et al, Chem. Phys. Lett. 2009, 481, 118]. Good agreement between CC and accurate results supports the CC approach, another advantage of which is that it allows a transparent interpretation of the temporal and spatial properties of j(e).

  7. Entropy density of an adiabatic relativistic Bose-Einstein condensate star

    SciTech Connect

    Khaidir, Ahmad Firdaus; Kassim, Hasan Abu; Yusof, Norhasliza

    2015-04-24

    Inspired by recent works, we investigate how the thermodynamics parameters (entropy, temperature, number density, energy density, etc) of Bose-Einstein Condensate star scale with the structure of the star. Below the critical temperature in which the condensation starts to occur, we study how the entropy behaves with varying temperature till it reaches its own stability against gravitational collapse and singularity. Compared to photon gases (pressure is described by radiation) where the chemical potential, μ is zero, entropy of photon gases obeys the Stefan-Boltzmann Law for a small values of T while forming a spiral structure for a large values of T due to general relativity. The entropy density of Bose-Einstein Condensate is obtained following the similar sequence but limited under critical temperature condition. We adopt the scalar field equation of state in Thomas-Fermi limit to study the characteristics of relativistic Bose-Einstein condensate under varying temperature and entropy. Finally, we obtain the entropy density proportional to (σT{sup 3}-3T) which obeys the Stefan-Boltzmann Law in ultra-relativistic condition.

  8. Quantum-to-classical transition for ekpyrotic perturbations

    NASA Astrophysics Data System (ADS)

    Battarra, Lorenzo; Lehners, Jean-Luc

    2014-03-01

    We examine the processes of quantum squeezing and decoherence of density perturbations produced during a slowly contracting ekpyrotic phase in which entropic perturbations are converted to curvature perturbations before the bounce to an expanding phase. During the generation phase, the entropic fluctuations evolve into a highly squeezed quantum state, analogous to the evolution of inflationary perturbations. Subsequently, during the conversion phase, quantum coherence is lost very efficiently due to the interactions of entropy and adiabatic modes. Moreover, while decoherence occurs, the adiabatic curvature perturbations inherit their semiclassicality from the entropic perturbations. Our results confirm that, just as for inflation, an ekpyrotic phase can generate nearly scale-invariant curvature perturbations which may be treated as a statistical ensemble of classical density perturbations, in agreement with observations of the cosmic background radiation.

  9. The correlation function for density perturbations in an expanding universe. II - Nonlinear theory

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1977-01-01

    A formalism is developed to find the two-point and higher-order correlation functions for a given distribution of sizes and shapes of perturbations which are randomly placed in three-dimensional space. The perturbations are described by two parameters such as central density and size, and the two-point correlation function is explicitly related to the luminosity function of groups and clusters of galaxies

  10. Adiabatic fluctuations from cosmic strings in a contracting universe

    SciTech Connect

    Brandenberger, Robert H.; Takahashi, Tomo; Yamaguchi, Masahide E-mail: tomot@cc.saga-u.ac.jp

    2009-07-01

    We show that adiabatic, super-Hubble, and almost scale invariant density fluctuations are produced by cosmic strings in a contracting universe. An essential point is that isocurvature perturbations produced by topological defects such as cosmic strings on super-Hubble scales lead to a source term which seeds the growth of curvature fluctuations on these scales. Once the symmetry has been restored at high temperatures, the isocurvature seeds disappear, and the fluctuations evolve as adiabatic ones in the expanding phase. Thus, cosmic strings may be resurrected as a mechanism for generating the primordial density fluctuations observed today.

  11. Fission fragment charge and mass distributions in 239Pu(n ,f ) in the adiabatic nuclear energy density functional theory

    NASA Astrophysics Data System (ADS)

    Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

    2016-05-01

    Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms

  12. Kohn-Sham density-functional theory and renormalization of many-body perturbation expansions

    NASA Astrophysics Data System (ADS)

    Valiev, Marat

    1998-03-01

    Numerous practical applications provide strong evidence that despite its simplicity and crude approximations, density-functional theory leads to a rather accurate description of ground state properties of various condensed matter systems. Although well documented numerically, to our knowledge a theoretical explanation of the accuracy of density-functional theory has not been given. This issue is clarified in this work by demonstrating that density-functional theory represents a particular renormalization procedure of a many-body perturbation expansion. In other words, it is shown that density-functional theory is a many-body perturbation theory whose convergence properties have been optimized. The realization of this fact brings new meaning into density-functional theory and explains the success of density-functional based calculations. For more information go to http://alchemy.ucsd.edu/marat/ .

  13. Non-linear isocurvature perturbations and non-Gaussianities

    SciTech Connect

    Langlois, David; Vernizzi, Filippo; Wands, David E-mail: filippo.vernizzi@cea.fr

    2008-12-15

    We study non-linear primordial adiabatic and isocurvature perturbations and their non-Gaussianity. After giving a general formulation in the context of an extended {delta}N formalism, we analyse in detail two illustrative examples. The first is a mixed curvaton-inflaton scenario in which fluctuations of both the inflaton and a curvaton (a light isocurvature field during inflation) contribute to the primordial density perturbation. The second example is that of double inflation involving two decoupled massive scalar fields during inflation. In the mixed curvaton-inflaton scenario we find that the bispectrum of primordial isocurvature perturbations may be large and comparable to the bispectrum of adiabatic curvature perturbations.

  14. On the reach of perturbative methods for dark matter density fields

    NASA Astrophysics Data System (ADS)

    Baldauf, Tobias; Schaan, Emmanuel; Zaldarriaga, Matias

    2016-03-01

    We study the mapping from Lagrangian to Eulerian space in the context of the Effective Field Theory (EFT) of Large Scale Structure. We compute Lagrangian displacements with Lagrangian Perturbation Theory (LPT) and perform the full non-perturbative transformation from displacement to density. When expanded up to a given order, this transformation reproduces the standard Eulerian Perturbation Theory (SPT) at the same order. However, the full transformation from displacement to density also includes higher order terms. These terms explicitly resum long wavelength motions, thus making the resulting density field better correlated with the true non-linear density field. As a result, the regime of validity of this approach is expected to extend that of the Eulerian EFT, and match that of the IR-resummed Eulerian EFT. This approach thus effectively enables a test of the IR-resummed EFT at the field level. We estimate the size of stochastic, non-perturbative contributions to the matter density power spectrum. We find that in our highest order calculation, at redshift z = 0 the power spectrum of the density field is reproduced with an accuracy of 1% (10%) up to k = 0.25 hMpc-1 (k = 0.46 hMpc-1). We believe that the dominant source of the remaining error is the stochastic contribution. Unfortunately, on these scales the stochastic term does not yet scale as k4 as it does in the very low k regime. Thus, modeling this contribution might be challenging.

  15. Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory.

    PubMed

    Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam

    2014-08-14

    Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G0W0 and G0W0+BSE approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G0W0+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G0W0 quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies. PMID:25134572

  16. Non-perturbative calculation of molecular magnetic properties within current-density functional theory

    SciTech Connect

    Tellgren, E. I. Lange, K. K.; Ekström, U.; Helgaker, T.; Teale, A. M.; Furness, J. W.

    2014-01-21

    We present a novel implementation of Kohn–Sham density-functional theory utilizing London atomic orbitals as basis functions. External magnetic fields are treated non-perturbatively, which enable the study of both magnetic response properties and the effects of strong fields, using either standard density functionals or current-density functionals—the implementation is the first fully self-consistent implementation of the latter for molecules. Pilot applications are presented for the finite-field calculation of molecular magnetizabilities, hypermagnetizabilities, and nuclear magnetic resonance shielding constants, focusing on the impact of current-density functionals on the accuracy of the results. Existing current-density functionals based on the gauge-invariant vorticity are tested and found to be sensitive to numerical details of their implementation. Furthermore, when appropriately regularized, the resulting magnetic properties show no improvement over standard density-functional results. An advantage of the present implementation is the ability to apply density-functional theory to molecules in very strong magnetic fields, where the perturbative approach breaks down. Comparison with high accuracy full-configuration-interaction results show that the inadequacies of current-density approximations are exacerbated with increasing magnetic field strength. Standard density-functionals remain well behaved but fail to deliver high accuracy. The need for improved current-dependent density-functionals, and how they may be tested using the presented implementation, is discussed in light of our findings.

  17. Lattice calculation of non-gaussian density perturbations from the massless preheating inflationary model.

    PubMed

    Chambers, Alex; Rajantie, Arttu

    2008-02-01

    If light scalar fields are present at the end of inflation, their nonequilibrium dynamics such as parametric resonance or a phase transition can produce non-Gaussian density perturbations. We show how these perturbations can be calculated using nonlinear lattice field theory simulations and the separate universe approximation. In the massless preheating model, we find that some parameter values are excluded while others lead to acceptable but observable levels of non-Gaussianity. This shows that preheating can be an important factor in assessing the viability of inflationary models.

  18. Lattice calculation of non-gaussian density perturbations from the massless preheating inflationary model.

    PubMed

    Chambers, Alex; Rajantie, Arttu

    2008-02-01

    If light scalar fields are present at the end of inflation, their nonequilibrium dynamics such as parametric resonance or a phase transition can produce non-Gaussian density perturbations. We show how these perturbations can be calculated using nonlinear lattice field theory simulations and the separate universe approximation. In the massless preheating model, we find that some parameter values are excluded while others lead to acceptable but observable levels of non-Gaussianity. This shows that preheating can be an important factor in assessing the viability of inflationary models. PMID:18352255

  19. Thermodynamics of technetium: Reconciling theory and experiment using density functional perturbation analysis

    SciTech Connect

    Weck, Philippe F.; Kim, Eunja

    2015-06-11

    The structure, lattice dynamics and thermodynamic properties of bulk technetium were investigated within the framework of density functional theory. The phonon density of states spectrum computed with density functional perturbation theory closely matches inelastic coherent neutron scattering measurements. The thermal properties of technetium were derived from phonon frequencies calculated within the quasi-harmonic approximation (QHA), which introduces a volume dependence of phonon frequencies as a part of the anharmonic effect. As a result, the predicted thermal expansion and isobaric heat capacity of technetium are in excellent agreement with available experimental data for temperatures up to ~1600 K.

  20. Non-Gaussian density fluctuations from entropically generated curvature perturbations in ekpyrotic models

    SciTech Connect

    Lehners, Jean-Luc; Steinhardt, Paul J.

    2008-03-15

    We analyze the non-Gaussian density perturbations generated in ekpyrotic/cyclic models based on heterotic M theory. In this picture, two scalar fields produce nearly scale-invariant entropic perturbations during an ekpyrotic phase that are converted into curvature modes after the ekpyrotic phase is complete and just before the big bang. Both intrinsic nonlinearity in the entropy perturbation and the conversion process contribute to non-Gaussianity. The range of the non-Gaussianity parameter f{sub NL} depends on how gradual the conversion process is and the steepness of the scalar field potential during the ekpyrotic phase. Although a wider range is possible, in principle, natural values of the ekpyrotic parameters combined with a gradual conversion process lead to values of -50 < or approx. f{sub NL} < or approx. +200, typically much greater than slow-roll inflation but within the current observational bounds.

  1. Shuttle derived atmospheric density model. Part 2: STS atmospheric implications for AOTV trajectory analysis, a proposed GRAM perturbation density model

    NASA Technical Reports Server (NTRS)

    Findlay, J. T.; Kelly, G. M.; Troutman, P. A.

    1984-01-01

    A perturbation model to the Marshall Space Flight Center (MSFC) Global Reference Atmosphere Model (GRAM) was developed for use in the Aeroassist Orbital Transfer Vehicle (AOTV) trajectory and analysis. The model reflects NASA Space Shuttle experience over the first twelve entry flights. The GRAM was selected over the Air Force 1978 Reference Model because of its more general formulation and wider use throughout NASA. The add-on model, a simple scaling with altitude to reflect density structure encountered by the Shuttle Orbiter was selected principally to simplify implementation. Perturbations, by season, can be utilized to minimize the number of required simulations, however, exact Shuttle flight history can be exercised using the same model if desired. Such a perturbation model, though not meteorologically motivated, enables inclusion of High Resolution Accelerometer Package (HiRAP) results in the thermosphere. Provision is made to incorporate differing perturbations during the AOTV entry and exit phases of the aero-asist maneuver to account for trajectory displacement (geographic) along the ground track.

  2. Density matrix perturbation theory for magneto-optical response of periodic insulators

    NASA Astrophysics Data System (ADS)

    Lebedeva, Irina; Tokatly, Ilya; Rubio, Angel

    2015-03-01

    Density matrix perturbation theory offers an ideal theoretical framework for the description of response of solids to arbitrary electromagnetic fields. In particular, it allows to consider perturbations introduced by uniform electric and magnetic fields under periodic boundary conditions, though the corresponding potentials break the translational invariance of the Hamiltonian. We have implemented the density matrix perturbation theory in the open-source Octopus code on the basis of the efficient Sternheimer approach. The procedures for responses of different order to electromagnetic fields, including electric polarizability, orbital magnetic susceptibility and magneto-optical response, have been developed and tested by comparison with the results for finite systems and for wavefunction-based perturbation theory, which is already available in the code. Additional analysis of the orbital magneto-optical response is performed on the basis of analytical models. Symmetry limitations to observation of the magneto-optical response are discussed. The financial support from the Marie Curie Fellowship PIIF-GA-2012-326435 (RespSpatDisp) is gratefully acknowledged.

  3. Large-Scale Effect of Krein Quantization Method on the Matter Density Perturbations

    NASA Astrophysics Data System (ADS)

    Sojasi, A.; Mohsenzadeh, M.; Saffari, R.

    2015-10-01

    According to the theoretical results obtained in usual quantum cosmology in which the field operator is constructed on the Hilbert space, the power spectrum of the scalar field fluctuations is scale invariant in the inflationary epoch. On the other hand, the observational data predict some deviation from scale-invariance in the power spectrum. It has been shown previously that by using Krein quantization method for constructing field operator, the power spectrum is obtained scale dependent (Mohsenzadeh et al. IJTP 48, 755, 2009). The main goal in this work is to investigate the effect of Krein quantization method on the matter density perturbation at present. The results show if one uses covariant two point function for mass-less minimally coupled scalar field in de Sitter space-time which is calculated via Krein quantization method, the power spectrum of primordial gravitational potential set up during inflation and the power spectrum of matter density perturbation at present deviate from scale-invariant result.

  4. Collapse of small-scale density perturbations during preheating in single field inflation

    SciTech Connect

    Jedamzik, Karsten; Lemoine, Martin; Martin, Jérôme E-mail: lemoine@iap.fr

    2010-09-01

    After cosmic inflation and before the transition to radiation domination, the cosmic energy density may have been dominated during an extended period by an oscillating massive scalar condensate. We show that during this period, sub-Hubble scale perturbations are subject to a metric preheating instability in the narrow resonance regime. We analyze in detail both, quadratic and quartic potentials. The instability leads to the growth of density perturbations which in many cases become non-linear already before the beginning of a radiation dominated Universe. This is particularly the case when requiring a phenomenologically preferred low reheat temperature. These early structures may lead to the emission of gravitational waves and the production of primordial black holes.

  5. Nonintegrability of density perturbations in the Friedmann-Robertson-Walker universe

    NASA Astrophysics Data System (ADS)

    Stachowiak, Tomasz; Szydłowski, Marek; Maciejewski, Andrzej J.

    2006-03-01

    We investigate the evolution equation of linear density perturbations in the Friedmann-Robertson-Walker universe with matter, radiation and the cosmological constant. The concept of solvability by quadratures is defined and used to prove that there are no "closed form" solutions except for the known Chernin, Heath, Meszaros and simple degenerate ones. The analysis is performed applying Kovacic's algorithm. The possibility of the existence of other, more general solutions involving special functions is also investigated.

  6. Beyond the Born-Oppenheimer approximation: a treatment of electronic flux density in electronically adiabatic molecular processes.

    PubMed

    Diestler, D J

    2013-06-01

    Intuition suggests that a molecular system in the electronic ground state Φ0 should exhibit an electronic flux density (EFD) in response to the motion of its nuclei. If that state is described by the Born-Oppenheimer approximation (BOA), however, a straightforward calculation of the EFD yields zero, since the electrons are in a stationary state, regardless of the state of the nuclear motion. Here an alternative pathway to a nonzero EFD from a knowledge of only the BOA ground-state wave function is proposed. Via perturbation theory a complete set of approximate vibronic eigenfunctions of the whole Hamiltonian is generated. If the complete non-BOA wave function is expressed in the basis of these vibronic eigenfunctions, the ground-state contribution to the EFD is found to involve a summation over excited states. Evaluation of this sum through the so-called "average excitation energy approximation" produces a nonzero EFD. An explicit formula for the EFD for the prototypical system, namely, oriented H2+ vibrating in the electronic ground state, is derived.

  7. Systematic treatmeant of displacements, strains, and electric fields in density-functional perturbation theory

    NASA Astrophysics Data System (ADS)

    Wu, Xifan; Vanderbilt, David; Hamann, D. R.

    2004-03-01

    Using the methods of density-functional perturbation theory, it is possible to compute first derivatives of the electronic wavefunctions with respect to atomic-displacement, electric-field, and strain perturbations; and from these, tensors of second energy derivatives including both `diagonal responses' (force-constant, dielectric susceptibility, and elastic tensors) and `off-diagonal' ones (piezoelectric, internal-strain, and Born-charge tensors). For polar insulators, these quantities can couple in complex ways. Here, we describe a systematic approach for computing all of these quantities in a unified fashion, and for combining the information thus obtained to compute such properties as clamped-strain vs. free-stress dielectric tensors, elastic constants under different electrical boundary conditions, and piezoelectric coupling factors. The calculations are implemented in the ABINIT code package, and their application will be illustrated for the cases of ZnO and BaTiO3 in their zero-temperature wurzite and rhombohedral structures, respectively.

  8. Matter density perturbations in modified gravity models with arbitrary coupling between matter and geometry

    SciTech Connect

    Nesseris, Savvas

    2009-02-15

    We consider theories with an arbitrary coupling between matter and gravity and obtain the perturbation equation of matter on subhorizon scales. Also, we derive the effective gravitational constant G{sub eff} and two parameters {sigma} and {eta}, which along with the perturbation equation of the matter density are useful to constrain the theory from growth factor and weak lensing observations. Finally, we use a completely solvable toy model which exhibits nontrivial phenomenology to investigate specific features of the theory. We obtain the analytic solution of the modified Friedmann equation for the scale factor a in terms of time t and use the age of the oldest star clusters and the primordial nucleosynthesis bounds in order to constrain the parameters of our toy model.

  9. The dynamic instability of adiabatic blast waves

    NASA Technical Reports Server (NTRS)

    Ryu, Dongsu; Vishniac, Ethan T.

    1991-01-01

    Adiabatic blastwaves, which have a total energy injected from the center E varies as t(sup q) and propagate through a preshock medium with a density rho(sub E) varies as r(sup -omega) are described by a family of similarity solutions. Previous work has shown that adiabatic blastwaves with increasing or constant postshock entropy behind the shock front are susceptible to an oscillatory instability, caused by the difference between the nature of the forces on the two sides of the dense shell behind the shock front. This instability sets in if the dense postshock layer is sufficiently thin. The stability of adiabatic blastwaves with a decreasing postshock entropy is considered. Such blastwaves, if they are decelerating, always have a region behind the shock front which is subject to convection. Some accelerating blastwaves also have such region, depending on the values of q, omega, and gamma where gamma is the adiabatic index. However, since the shock interface stabilizes dynamically induced perturbations, blastwaves become convectively unstable only if the convective zone is localized around the origin or a contact discontinuity far from the shock front. On the other hand, the contact discontinuity of accelerating blastwaves is subject to a strong Rayleigh-Taylor instability. The frequency spectra of the nonradial, normal modes of adiabatic blastwaves have been calculated. The results have been applied to the shocks propagating through supernovae envelopes. It is shown that the metal/He and He/H interfaces are strongly unstable against the Rayleigh-Taylor instability. This instability will induce mixing in supernovae envelopes. In addition the implications of this work for the evolution of planetary nebulae is discussed.

  10. Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

    SciTech Connect

    Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam

    2014-08-14

    Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G{sub 0}W{sub 0} and G{sub 0}W{sub 0}+BSE approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G{sub 0}W{sub 0}+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G{sub 0}W{sub 0} quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies.

  11. Remote sensing of mesospheric and thermospheric density perturbations induced by subtropical heavy rainfalls for spacecraft environment study

    NASA Technical Reports Server (NTRS)

    Hung, R. J.; Lee, C. C.; Johnson, D. L.; Chen, A. J.

    1991-01-01

    The simultaneous measurements of VHF radar and HF Doppler array systems are used to observe three-dimensional wind speeds and gravity waves with the purpose of determining the density perturbations at different heights of mesosphere and thermosphere induced by the convective motions associated with subtropical heavy rainfall during the time period of the raining season. Frequency, horizontal wavelength, vertical wavelength, and phase velocity of the gravity waves are determined from the Fourier power spectral analysis of horizontal and vertical wind velocities. The results are compared with those of density perturbations caused by typhoons, tropical storms, and winter-time drizzles associated with convective motions. It is shown that the maximum amplitude of the density perturbations caused by the gravity waves is +/- 10 pct which is greater than that of density perturbations caused by gravity waves associated with weak convective motions in winter time and is smaller than that caused by the gravity waves associated with tropical storms.

  12. Sneutrino condensate source for density perturbations, leptogenesis, and low reheat temperature.

    PubMed

    Mazumdar, Anupam; Pérez-Lorenzana, Abdel

    2004-06-25

    We bring together some known ingredients beyond the standard model physics that can explain the hot big bang model with the observed baryon asymmetry and also the fluctuations in the cosmic microwave background radiation with a minimal set of assumptions. We propose an interesting scenario where the inflaton energy density is dumped into an infinitely large extra dimension. Instead of the inflaton it is the right handed sneutrino condensate, which is acquiring a nonzero vacuum expectation value during inflation, whose fluctuations are responsible for the density perturbations seen in the cosmic microwave background radiation with a spectral index n(s) approximately 1. The decay of the condensate is explaining the reheating of the Universe with a temperature, T(rh)< or =10(9) GeV, and the baryon asymmetry of order one part in 10(10) with no baryon-isocurvature fluctuations.

  13. van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections

    SciTech Connect

    Angyan, Janos G.; Gerber, Iann C.; Savin, Andreas; Toulouse, Julien

    2005-07-15

    Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a 'range-separated hybrid' functional based on a local density approximation for the short-range exchange-correlation energy, combined with a long-range exact exchange energy. Long-range correlation effects are added by a second-order perturbational treatment. The resulting scheme is general and is particularly well adapted to describe van der Waals complexes, such as rare gas dimers.

  14. Non-adiabatic dark fluid cosmology

    SciTech Connect

    Hipólito-Ricaldi, W.S.; Velten, H.E.S.; Zimdahl, W. E-mail: velten@cce.ufes.br

    2009-06-01

    We model the dark sector of the cosmic substratum by a viscous fluid with an equation of state p = −ζΘ, where Θ is the fluid-expansion scalar and ζ is the coefficient of bulk viscosity for which we assume a dependence ζ∝ρ{sup ν} on the energy density ρ. The homogeneous and isotropic background dynamics coincides with that of a generalized Chaplygin gas with equation of state p = −A/ρ{sup α}. The perturbation dynamics of the viscous model, however, is intrinsically non-adiabatic and qualitatively different from the Chaplygin-gas case. In particular, it avoids short-scale instabilities and/or oscillations which apparently have ruled out unified models of the Chaplygin-gas type. We calculate the matter power spectrum and demonstrate that the non-adiabatic model is compatible with the data from the 2dFGRS and the SDSS surveys. A χ{sup 2}-analysis shows, that for certain parameter combinations the viscous-dark-fluid (VDF) model is well competitive with the ΛCDM model. These results indicate that non-adiabatic unified models can be seen as potential contenders for a General-Relativity-based description of the cosmic substratum.

  15. A hybrid perturbed-chain SAFT density functional theory for representing fluid behavior in nanopores

    NASA Astrophysics Data System (ADS)

    Shen, Gulou; Ji, Xiaoyan; Lu, Xiaohua

    2013-06-01

    A hybrid statistical mechanical model, which is fully consistent with the bulk perturbed-chain statistical associating fluid theory (PC-SAFT) in describing properties of fluids, was developed by coupling density functional theory with PC-SAFT for the description of the inhomogeneous behavior of real chain molecules in nanopores. In the developed model, the modified fundamental measure theory was used for the hard sphere contribution; the dispersion free energy functional was represented with weighted density approximation by averaging the density in the range of interaction, and the chain free energy functional from interfacial statistical associating fluid theory was used to account for the chain connectivity. Molecular simulation results of the density profile were compared with model prediction, and the considerable agreement reveals the reliability of the proposed model in representing the confined behaviors of chain molecules in an attractive slit. The developed model was further used to represent the adsorptions of methane and carbon dioxide on activated carbons, in which methane and carbon dioxide were modeled as chain molecules with the parameters taken from the bulk PC-SAFT, while the parameters of solid surface were obtained from the fitting of gas adsorption isotherms measured experimentally. The results show that the model can reliably reproduce the confined behaviors of physically existing substances in nanopores.

  16. X-ray energy flow and radiography measurements of evolving density perturbations

    NASA Astrophysics Data System (ADS)

    Moore, A. S.; Graham, P.; Taylor, M. J.; Foster, J. M.; Sorce, C.; Reighard, A.; MacLaren, S.; Young, P.; Glendinning, G.; Blue, B. E.; Back, C. A.; Hund, J.

    2008-11-01

    X-radiation transport through plasma density gradients, such as N-waves, form a closely coupled system that is challenging to simulate. Such situations are a key component of the physics of laser-heated hohlraums occurring in the laser-heated cavity and also in the laser-entry and any diagnostic holes. In addition the similarity to some astrophysical conditions may mean that such experiments can be used as a laboratory-scale analogue for their investigation. To better understand these phenomena, we present results from a series of experiments performed at the Omega laser facility. Using a laser-heated hohlraum drive, a tantalum aerogel with an initial seed perturbation is heated, and x-rays initially free-stream through the perturbation before they fill with plasma and radiation transport becomes diffuse. We present energy flux measurements diagnosed using two different methods, and complementary radiography results that achieve sufficient contrast, despite the high background of the hohlraum, to enable the complex shock interactions and stagnation to be directly observed. These results are compared with simulations performed using a 2-D Eulerian hydrocode, which are able to reproduce the overall energetics, and much of the details of the deceleration shock and axial stagnation region at the centre of the slit.

  17. Ab initio downfolding for electron-phonon-coupled systems: Constrained density-functional perturbation theory

    NASA Astrophysics Data System (ADS)

    Nomura, Yusuke; Arita, Ryotaro

    2015-12-01

    We formulate an ab initio downfolding scheme for electron-phonon-coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy electrons, to construct a realistic Hamiltonian consisting of low-energy electron and phonon degrees of freedom. We show that our scheme can be implemented by slightly modifying the density functional-perturbation theory (DFPT), which is one of the standard methods for calculating phonon properties from first principles. Our scheme, which we call the constrained DFPT, can be applied to various phonon-related problems, such as superconductivity, electron and thermal transport, thermoelectricity, piezoelectricity, dielectricity, and multiferroicity. We believe that the constrained DFPT provides a firm basis for the understanding of the role of phonons in strongly correlated materials. Here, we apply the scheme to fullerene superconductors and discuss how the realistic low-energy Hamiltonian is constructed.

  18. Multifield cosmological perturbations at third order and the ekpyrotic trispectrum

    SciTech Connect

    Lehners, Jean-Luc; Renaux-Petel, Sebastien

    2009-09-15

    Using the covariant formalism, we derive the equations of motion for adiabatic and entropy perturbations at third order in perturbation theory for cosmological models involving two scalar fields. We use these equations to calculate the trispectrum of ekpyrotic and cyclic models in which the density perturbations are generated via the entropic mechanism. In these models, the conversion of entropy into curvature perturbations occurs just before the big bang, either during the ekpyrotic phase or during the subsequent kinetic energy dominated phase. In both cases, we find that the nonlinearity parameters f{sub NL} and g{sub NL} combine to leave a very distinct observational imprint.

  19. A hybrid perturbed-chain SAFT density functional theory for representing fluid behavior in nanopores: Mixtures

    NASA Astrophysics Data System (ADS)

    Shen, Gulou; Ji, Xiaoyan; Öberg, Sven; Lu, Xiaohua

    2013-11-01

    The perturbed-chain statistical associating fluid theory (PC-SAFT) density functional theory developed in our previous work was extended to the description of inhomogeneous confined behavior in nanopores for mixtures. In the developed model, the modified fundamental measure theory and the weighted density approximation were used to represent the hard-sphere and dispersion free energy functionals, respectively, and the chain free energy functional from interfacial statistical associating fluid theory was used to account for the chain connectivity. The developed model was verified by comparing the model prediction with molecular simulation results, and the agreement reveals the reliability of the proposed model in representing the confined behaviors of chain mixtures in nanopores. The developed model was further used to predict the adsorption of methane-carbon dioxide mixtures on activated carbons, in which the parameters of methane and carbon dioxide were taken from the bulk PC-SAFT and those for solid surface were determined from the fitting to the pure-gas adsorption isotherms measured experimentally. The comparison of the model prediction with the available experimental data of mixed-gas adsorption isotherms shows that the model can reliably reproduce the confined behaviors of physically existing mixtures in nanopores.

  20. Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States.

    PubMed

    Ronca, Enrico; Angeli, Celestino; Belpassi, Leonardo; De Angelis, Filippo; Tarantelli, Francesco; Pastore, Mariachiara

    2014-09-01

    Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J. Chem. Phys. 140, 054110 (2014)], suited to quantitatively characterize the charge fluxes coming along an electronic excitation, we investigate the role of the density relaxation effects in the overall description of electronically excited states of different nature, namely, valence, ionic, and charge transfer (CT), considering a large set of prototypical small and medium-sized molecular systems. By comparing the response densities provided by time-dependent density functional theory (TDDFT) and the corresponding relaxed densities obtained by applying the Z-vector postlinear-response approach [N. C. Handy and H. F. Schaefer, J. Chem. Phys. 81, 5031 (1984)] with those obtained by highly correlated state-of-the-art wave function calculations, we show that the inclusion of the relaxation effects is imperative to get an accurate description of the considered excited states. We also examine what happens at the quality of the response function when an increasing amount of Hartree-Fock (HF) exchange is included in the functional, showing that the usually improved excitation energies in the case of CT states are not always the consequence of an improved description of their overall properties. Remarkably, we find that the relaxation of the response densities is always able to reproduce, independently of the extent of HF exchange in the functional, the benchmark wave function densities. Finally, we propose a novel and computationally convenient strategy, based on the use of the natural orbitals derived from the relaxed TDDFT density to build zero-order wave function for multireference perturbation theory calculations. For a significant set of different excited states, the proposed approach provided accurate excitation energies, comparable to those obtained by computationally demanding ab initio calculations.

  1. Construction of nonsingular pre-big-bang and ekpyrotic cosmologies and the resulting density perturbations

    NASA Astrophysics Data System (ADS)

    Tsujikawa, Shinji; Brandenberger, Robert; Finelli, Fabio

    2002-10-01

    We consider the construction of nonsingular pre-big-bang and ekpyrotic type cosmological models realized by the addition to the action of specific higher-order terms stemming from quantum corrections. We study models involving general relativity coupled to a single scalar field with a potential motivated by the ekpyrotic scenario. We find that the inclusion of the string loop and quantum correction terms in the string frame makes it possible to obtain solutions of the variational equations which are nonsingular and bouncing in the Einstein frame, even when a negative exponential potential is present, as is the case in the ekpyrotic scenario. This allows us to discuss the evolution of cosmological perturbations without the need to invoke matching conditions between two Einstein universes, one representing the contracting branch, the second the expanding branch. We analyze the spectra of perturbations produced during the bouncing phase and find that the spectrum of curvature fluctuations in the model proposed originally to implement the ekpyrotic scenario has a large blue tilt (nR=3). Except for instabilities introduced on small scales, the result agrees with what is obtained by imposing continuity of the induced metric and of the extrinsic curvature across a constant scalar field (up to k2 corrections equal to the constant energy density) matching surface between the contracting and the expanding Einstein universes. We also discuss nonsingular cosmological solutions obtained when a Gauss-Bonnet term with a coefficient suitably dependent on the scalar matter field is added to the action in the Einstein frame with a potential for the scalar field present. In this scenario, nonsingular solutions are found which start in an asymptotically flat state, undergo a period of superexponential inflation, and end with a graceful exit. The spectrum of fluctuations is also calculated in this case.

  2. Testing for the Gaussian nature of cosmological density perturbations through the three-point temperature correlation function

    NASA Technical Reports Server (NTRS)

    Luo, Xiaochun; Schramm, David N.

    1993-01-01

    One of the crucial aspects of density perturbations that are produced by the standard inflation scenario is that they are Gaussian where seeds produced by topological defects tend to be non-Gaussian. The three-point correlation function of the temperature anisotropy of the cosmic microwave background radiation (CBR) provides a sensitive test of this aspect of the primordial density field. In this paper, this function is calculated in the general context of various allowed non-Gaussian models. It is shown that the Cosmic Background Explorer and the forthcoming South Pole and balloon CBR anisotropy data may be able to provide a crucial test of the Gaussian nature of the perturbations.

  3. Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions

    SciTech Connect

    Krykunov, Mykhaylo; Seth, Mike; Ziegler, Tom

    2014-05-14

    We have applied the relaxed and self-consistent extension of constricted variational density functional theory (RSCF-CV-DFT) for the calculation of the lowest charge transfer transitions in the molecular complex X-TCNE between X = benzene and TCNE = tetracyanoethylene. Use was made of functionals with a fixed fraction (α) of Hartree-Fock exchange ranging from α = 0 to α = 0.5 as well as functionals with a long range correction (LC) that introduces Hartree-Fock exchange for longer inter-electronic distances. A detailed comparison and analysis is given for each functional between the performance of RSCF-CV-DFT and adiabatic time-dependent density functional theory (TDDFT) within the Tamm-Dancoff approximation. It is shown that in this particular case, all functionals afford the same reasonable agreement with experiment for RSCF-CV-DFT whereas only the LC-functionals afford a fair agreement with experiment using TDDFT. We have in addition calculated the CT transition energy for X-TCNE with X = toluene, o-xylene, and naphthalene employing the same functionals as for X = benzene. It is shown that the calculated charge transfer excitation energies are in as good agreement with experiment as those obtained from highly optimized LC-functionals using adiabatic TDDFT. We finally discuss the relation between the optimization of length separation parameters and orbital relaxation in the RSCF-CV-DFT scheme.

  4. Theoretical and lidar studies of the density response of the mesospheric sodium layer to gravity wave perturbations

    NASA Technical Reports Server (NTRS)

    Shelton, J. D.; Gardner, C. S.

    1981-01-01

    The density response of atmospheric layers to gravity waves is developed in two forms, an exact solution and a perturbation series solution. The degree of nonlinearity in the layer density response is described by the series solution whereas the exact solution gives insight into the nature of the responses. Density perturbation in an atmospheric layer are shown to be substantially greater than the atmospheric density perturbation associated with the propagation of a gravity wave. Because of the density gradients present in atmospheric layers, interesting effects were observed such as a phase reversal in the linear layer response which occurs near the layer peak. Once the layer response is understood, the sodium layer can be used as a tracer of atmospheric wave motions. A two dimensional digital signal processing technique was developed. Both spatial and temporal filtering are utilized to enhance the resolution by decreasing shot noise by more han 10 dB. Many of the features associated with a layer density response to gravity waves were observed in high resolution density profiles of the mesospheric sodium layer. These include nonlinearities as well as the phase reversal in the linear layer response.

  5. Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

    DOE PAGES

    Weck, Philippe F.; Kim, Eunja; Tikare, Veena; Mitchell, John A.

    2015-10-13

    Here, the elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy cubic Pn-3m with combining macron]m polymorph of δ-ZrH1.5 does not satisfy all the Born requirements for mechanical stability, unlike its nearly degenerate tetragonal P42/mcm polymorph. Elastic moduli predicted with the Voigt–Reuss–Hill approximations suggest that mechanical stability of α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates is limited by the shear modulus. According to both Pugh's and Poisson's ratios, α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates can be considered ductile. The Debye temperatures predicted formore » γ-ZrH, δ-ZrH1.5 and ε-ZrH2 are θD = 299.7, 415.6 and 356.9 K, respectively, while θD = 273.6, 284.2, 264.1 and 257.1 K for the α-Zr, Zry-4, ZIRLO and M5 matrices, i.e. suggesting that Zry-4 possesses the highest micro-hardness among Zr matrices.« less

  6. Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

    SciTech Connect

    Weck, Philippe F.; Kim, Eunja; Tikare, Veena; Mitchell, John A.

    2015-10-13

    Here, the elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy cubic Pn-3m with combining macron]m polymorph of δ-ZrH1.5 does not satisfy all the Born requirements for mechanical stability, unlike its nearly degenerate tetragonal P42/mcm polymorph. Elastic moduli predicted with the Voigt–Reuss–Hill approximations suggest that mechanical stability of α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates is limited by the shear modulus. According to both Pugh's and Poisson's ratios, α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates can be considered ductile. The Debye temperatures predicted for γ-ZrH, δ-ZrH1.5 and ε-ZrH2 are θD = 299.7, 415.6 and 356.9 K, respectively, while θD = 273.6, 284.2, 264.1 and 257.1 K for the α-Zr, Zry-4, ZIRLO and M5 matrices, i.e. suggesting that Zry-4 possesses the highest micro-hardness among Zr matrices.

  7. Preliminary Study of the Magnetic Perturbation Effects on the Edge Density Profiles and Fluctuations Using Reflectometers on EAST

    NASA Astrophysics Data System (ADS)

    Gao, Yu; Wang, Yumin; Zhang, Tao; Zhang, Shoubiao; Qu, Hao; Han, Xiang; Wen, Fei; Kong, Defeng; Huang, Canbin; Cai, Jianqing; Sun, Youwen; Liang, Yunfeng; Gao, Xiang; East Team

    2016-09-01

    The resonant magnetic perturbation (RMP) coils have been successfully designed and installed on the Experimental Advanced Superconducting Tokamak (EAST). Using the reflectometer systems, the density profile and the density fluctuations during magnetic perturbations (MPs) phase have been investigated. During the experiments, two different cases are studied separately: steady MPs and rotating MPs. In both cases, a strongly density pump-out has been observed. In the steady MPs cases, an enhancement of the low frequency (<60 kHz) density fluctuations in H-mode phase has been observed. The plasma density boundary out-shifts ~ 5% caused by the MPs. The pedestal density gradient is reduced by 50%, while the radial location nearly stays unchanged. In the rotating MPs, the line-averaged density, the Dα emission at the divertor region and the spectrum of the density fluctuations are modulated. The results suggest that the low frequency (<60 kHz) density fluctuations may contribute to the strong density pump-out. supported by the National Magnetic Confinement Fusion Science Program of China (Nos. 2014GB106000, 2014GB106003 and 2015GB110001), and National Natural Science Foundation of China (Nos. 11275234, 11305215, 11305208, 11405214 and 11505221)

  8. The multi-configurational adiabatic electron transfer theory and its invariance under transformations of charge density basis functions

    NASA Astrophysics Data System (ADS)

    Basilevsky, M. V.; Chudinov, G. E.; Newton, M. D.

    1994-02-01

    The continuum multi-configurational dynamical theory of electron transfer (ET) reactions in a chemical solute immersed in a polar solvent is developed. The solute wave function is represented as a CI expansion. The corresponding decomposition of the solute charge density generates a set of dynamical variables, the discrete medium coordinates. A new expression for the free energy surface in terms of these coordinates is derived. The stochastic equations of motion derived earlier are shown to be invariant under unitary transformations of orbitals used to build the CI expansion provided the latter is complete over the corresponding orbital subspace, and also under general linear transformations of the bases employed in expanding the charge density. The interrelation between the present general treatment and the reduced theory applied previously in terms of the two-level ET model is investigated. Finally, the explicit expression for the screening potential of medium electrons is derived in the electronic Born-Oppenheimer approximation (fast (slow) electronic timescale for solvent (solute)). The theory leads to a self-consistent scheme for practical calculations of rate constants for ET reactions involving complex solutes. Illustrative test calculations for two-level ET systems are presented, and the importance of proper boundary conditions for realistic molecular cavities is demonstrated.

  9. A structural study of charge-density-wave perturbations in mixed-halide MX solids

    NASA Astrophysics Data System (ADS)

    Scott, Brian; Johnson, Sabina R.; Swanson, Basil I.

    Mixed-halide crystals have been formed by co-crystallizing pure (Pt(en)2Cl2)(Pt(en)2)(ClO4)4(PtCl) and (Pt(en)2I2)(Pt(en)2)(ClO4)4(PtI), where en = 1,2 diaminoethane. Single crystal x-ray diffraction reveals that these crystals are of high quality. The pure PtI and PtCl contain chains of alternating Pt and halogen atoms that have undergone a Peierls distortion and commensurate charge disproportionation, resulting in alternating valence states on the platinum atoms: X-Pt(IV)-X---Pt(II)---X. The Peierls distortion results in a charge-density-wave (CDW), the strength of which is measured as the ratio, rho, of the short Pt(IV)-X bond distance to the long Pt(II)---X bond distance. PtCl is a strong CDW system with rho = 0.750 and PtI is a weak CDW system with rho = 0.919. The mixed-halide systems have the stoichiometry PtCl(1-x)I(x), with x = 0.1, 0.15, 0.2, 0.3, 0.7, 0.8, 0.85, and 0.90. A Chain lattice constant versus composition study strongly suggests distorted PtI and PtCl chains in these solids. A single crystal diffraction study on PtCl(0.85)I(0.15) shows significant perturbations in the PtCl and PtI chain CDW strengths, with the PtI segment showing no Peierls distortion (rho = 1). This control of the CDW strength, which is strongly tied to electron-electron and electron-phonon interactions in these solids, potentially allows tuning of electronic and optical properties on a nanometer scale.

  10. Magnetohydrodynamic simulations of the polarized radio emission of the adiabatic SNRs in ISM with nonuniform distribution of density and magnetic field

    NASA Astrophysics Data System (ADS)

    Petruk, Oleh; Bandiera, Rino; Beshley, Vasyl; Orlando, Salvatore; Miceli, Marco

    2016-06-01

    Polarized radio emission has been mapped with great details in several Galactic supernova remnants (SNRs). The polarization of synchrotron emission contains a wealth of information but has not yet been exploited to the extent it deserves. We have developed a numerical method to model the maps of the Stokes parameters for SNRs during their adiabatic phase of evolution, in either a uniform or a non-uniform environment. The method consists in the following steps. 1. A 3-dimensional magneto-hydrodynamical structure of the SNR is simulated, taking into account the interstellar magnetic field, and a possible gradient of the ISM density and/or of the ambient magnetic field. 2. The acceleration of particles at the forward shock and their evolution downstream are modelled. 3. The generation and dissipation of the turbulent component of magnetic field has been calculated everywhere in the SNR, taking into account its interaction with the accelerated particles. 4. Our generalization of the classical synchrotron theory, to include both the ordered and the disordered components of magnetic field, is used to model the emission. 5. The internal Faraday rotation of the polarization plane is considered. 6. Finally, 2-D maps are derived, for different orientations of the SNR with respect to the observer. We present details of the model, as well as some results of the numerical simulations.

  11. Band alignment of semiconductors from density-functional theory and many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Hinuma, Yoyo; Grüneis, Andreas; Kresse, Georg; Oba, Fumiyasu

    2014-10-01

    The band lineup, or alignment, of semiconductors is investigated via first-principles calculations based on density functional theory (DFT) and many-body perturbation theory (MBPT). Twenty-one semiconductors including C, Si, and Ge in the diamond structure, BN, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe in the zinc-blende structure, and GaN and ZnO in the wurtzite structure are considered in view of their fundamental and technological importance. Band alignments are determined using the valence and conduction band offsets from heterointerface calculations, the ionization potential (IP) and electron affinity (EA) from surface calculations, and the valence band maximum and conduction band minimum relative to the branch point energy, or charge neutrality level, from bulk calculations. The performance of various approximations to DFT and MBPT, namely the Perdew-Burke-Ernzerhof (PBE) semilocal functional, the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, and the GW approximation with and without vertex corrections in the screened Coulomb interaction, is assessed using the GWΓ1 approximation as a reference, where first-order vertex corrections are included in the self-energy. The experimental IPs, EAs, and band offsets are well reproduced by GWΓ1 for most of the semiconductor surfaces and heterointerfaces considered in this study. The PBE and HSE functionals show sizable errors in the IPs and EAs, in particular for group II-VI semiconductors with wide band gaps, but are much better in the prediction of relative band positions or band offsets due to error cancellation. The performance of the GW approximation is almost on par with GWΓ1 as far as relative band positions are concerned. The band alignments based on average interfacial band offsets for all pairs of 17 semiconductors and branch point energies agree with explicitly calculated interfacial band offsets with small mean absolute errors of both ˜0.1eV, indicating a

  12. Elementary examples of adiabatic invariance

    NASA Astrophysics Data System (ADS)

    Crawford, Frank S.

    1990-04-01

    Simple classical one-dimensional systems subject to adiabatic (gradual) perturbations are examined. The first examples are well known: the adiabatic invariance of the product Eτ of energy E and period τ for the simple pendulum and for the simple harmonic oscillator. Next, the adiabatic invariants of the vertical bouncer are found—a ball bouncing elastically from the floor of a rising elevator having slowly varying velocity and acceleration. These examples lead to consideration of adiabatic invariance for one-dimensional systems with potentials of the form V=axn, with a=a(t) slowly varying in time. Then, the horizontal bouncer is considered—a mass sliding on a smooth floor, bouncing back and forth between two impenetrable walls, one of which is slowly moving. This example is generalized to a particle in a bound state of a general potential with one slowly moving ``turning point.'' Finally, circular motion of a charged particle in a magnetic field slowly varying in time under three different configurations is considered: (a) a free particle in a uniform field; (b) a free particle in a nonuniform ``betatron'' field; and (c) a particle constrained to a circular orbit in a uniform field.

  13. Spatial Structure of Large-Scale Plasma Density Perturbations HF-Induced in the Ionospheric F 2 Region

    NASA Astrophysics Data System (ADS)

    Frolov, V. L.; Komrakov, G. P.; Glukhov, Ya. V.; Andreeva, E. S.; Kunitsyn, V. E.; Kurbatov, G. A.

    2016-07-01

    We consider the experimental results obtained by studying the large-scale structure of the HF-disturbed ionospheric region. The experiments were performed using the SURA heating facility. The disturbed ionospheric region was sounded by signals radiated by GPS navigation satellite beacons as well as by signals of low-orbit satellites (radio tomography). The results of the experiments show that large-scale plasma density perturbations induced at altitudes higher than the F2 layer maximum can contribute significantly to the measured variations of the total electron density and can, with a certain arrangement of the reception points, be measured by the GPS sounding method.

  14. An Investigation of How a Meteor Light Curve is Modified by Meteor Shape and Atmospheric Density Perturbations

    NASA Technical Reports Server (NTRS)

    Stokan, E.; Campbell-Brown, M. D.

    2011-01-01

    This is a preliminary investigation of how perturbations to meteoroid shape or atmospheric density affect a meteor light curve. A simple equation of motion and ablation are simultaneously solved numerically to give emitted light intensity as a function of height. It is found that changing the meteoroid shape, by changing the relationship between the cross-section area and the mass, changes the curvature and symmetry of the light curve, while making a periodic oscillation in atmospheric density gives a small periodic oscillation in the light curve.

  15. Heavy-Ion-Acoustic Solitary and Shock Waves in an Adiabatic Multi-Ion Plasma

    NASA Astrophysics Data System (ADS)

    Hossen, M. A.; Rahman, M. M.; Hossen, M. R.; Mamun, A. A.

    2015-08-01

    The standard reductive perturbation method has been employed to derive the Korteweg-deVries (K-dV) and Burgers (BG) equations to investigate the basic properties of heavy-ion-acoustic (HIA) waves in a plasma system which is supposed to be composed of nonthermal electrons, Boltzmann distributed light ions, and adiabatic positively charged inertial heavy ions. The HIA solitary and shock structures are found to exist with either positive or negative potential. It is found that the effects of adiabaticity of inertial heavy ions, nonthermality of electrons, and number densities of plasma components significantly modify the basic properties of the HIA solitary and shock waves. The implications of our results may be helpful in understanding the electrostatic perturbations in various laboratory and astrophysical plasma environments.

  16. Manifestly gauge invariant theory of the nonlinear cosmological perturbations in the leading order of the gradient expansion

    NASA Astrophysics Data System (ADS)

    Hamazaki, Takashi

    2011-07-01

    In the full nonlinear cosmological perturbation theory in the leading order of the gradient expansion, all the types of the gauge invariant perturbation variables are defined. The metric junction conditions across the spacelike transition hypersurface are formulated in a manifestly gauge invariant manner. It is manifestly shown that all the physical laws such as the evolution equations, the constraint equations, and the junction conditions can be written using the gauge invariant variables which we defined only. Based on the existence of the universal adiabatic growing mode in the nonlinear perturbation theory and the ρ philosophy where the physical evolution are described using the energy density ρ as the evolution parameter, we give the definitions of the adiabatic perturbation variable and the entropic perturbation variables in the full nonlinear perturbation theory. In order to give the analytic order estimate of the nonlinear parameter fNL, we present the exponent evaluation method. As the models where fNL changes continuously and becomes large, using the ρ philosophy, we investigate the non-Gaussianity induced by the entropic perturbation of the component which does not govern the cosmic energy density, and we show that in order to obtain the significant non-Gaussianity it is necessary that the scalar field which supports the entropic perturbation is extremely small compared with the scalar field which supports the adiabatic perturbation.

  17. Correcting magnetic probe perturbations on current density measurements of current carrying plasmas

    SciTech Connect

    Knoblauch, P.; Raspa, V.; Di Lorenzo, F.; Lazarte, A.; Moreno, C.; Clausse, A.

    2010-09-15

    A method to infer the current density distribution in the current sheath of a plasma focus discharge from a magnetic probe is formulated and then applied to experimental data obtained in a 1.1 kJ device. Distortions on the magnetic probe signal caused by current redistribution and by a time-dependent total discharge current are considered simultaneously, leading to an integral equation for the current density. Two distinct, easy to implement, numerical procedures are given to solve such equation. Experimental results show the coexistence of at least two maxima in the current density structure of a nitrogen sheath.

  18. Self-advection of density perturbations on a sloping continental shelf

    SciTech Connect

    Ping-Tung Shaw; Csanady, G.T.

    1983-05-01

    Bottom water movement on the continental shelf is modeled by the nonlinear interaction between longshore bottom geostrophic flow and the density field. Bottom geostrophic velocity, subject to linear steady momentum equations with linear bottom friction, can be generated by along-isobath density variations over a sloping bottom. At the same time, the density field is slowly advected by the velocity field. Away from boundary layers, the interplay is governed by Burgers' equation, which shows the formation and self-propulsion of strong density gradients along an isobath. The direction of propagation of a dense water blob is to have shallow water on the right- (left-) hand side facing downstream in the Northern (Southern) Hemisphere. The propagation of a light water blob is opposite to that of a dense water blob.

  19. Sensitivity of the solution of the Elder problem to density, velocity and numerical perturbations

    NASA Astrophysics Data System (ADS)

    Park, Chan-Hee; Aral, Mustafa M.

    2007-06-01

    In this paper the Elder problem is studied with the purpose of evaluating the inherent instabilities associated with the numerical solution of this problem. Our focus is first on the question of the existence of a unique numerical solution for this problem, and second on the grid density and fluid density requirements necessary for a unique numerical solution. In particular we have investigated the instability issues associated with the numerical solution of the Elder problem from the following perspectives: (i) physical instability issues associated with density differences; (ii) sensitivity of the numerical solution to idealization irregularities; and, (iii) the importance of a precise velocity field calculation and the association of this process with the grid density levels that is necessary to solve the Elder problem accurately. In the study discussed here we have used a finite element Galerkin model we have developed for solving density-dependent flow and transport problems, which will be identified as TechFlow. In our study, the numerical results of Frolkovič and de Schepper [Frolkovič, P. and H. de Schepper, 2001. Numerical modeling of convection dominated transport coupled with density-driven flow in porous media, Adv. Water Resour., 24, 63-72.] were replicated using the grid density employed in their work. We were also successful in duplicating the same result with a less dense grid but with more computational effort based on a global velocity estimation process we have adopted. Our results indicate that the global velocity estimation approach recommended by Yeh [Yeh, G.-T., 1981. On the computation of Darcian velocity and mass balance in finite element modelling of groundwater flow, Water Resour. Res., 17(5), 1529-1534.] allows the use of less dense grids while obtaining the same accuracy that can be achieved with denser grids. We have also observed that the regularity of the elements in the discretization of the solution domain does make a difference

  20. Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory.

    PubMed

    Friedrich, Michael; Riefer, Arthur; Sanna, Simone; Schmidt, W G; Schindlmayr, Arno

    2015-09-30

    The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional perturbation theory in order to obtain the complete phonon dispersion of the material. The phonon density of states of the ferroelectric (paraelectric) phase shows two (one) distinct band gaps separating the high-frequency (∼800 cm(-1)) optical branches from the continuum of acoustic and lower optical phonon states. This result leads to specific heat capacites in close agreement with experimental measurements in the range 0-350 K and a Debye temperature of 574 K. The calculated zero-point renormalization of the electronic Kohn-Sham eigenvalues reveals a strong dependence on the phonon wave vectors, especially near [Formula: see text]. Integrated over all phonon modes, our results indicate a vibrational correction of the electronic band gap of 0.41 eV at 0 K, which is in excellent agreement with the extrapolated temperature-dependent measurements.

  1. Adiabatic Quantum Search in Open Systems

    NASA Astrophysics Data System (ADS)

    Wild, Dominik S.; Gopalakrishnan, Sarang; Knap, Michael; Yao, Norman Y.; Lukin, Mikhail D.

    2016-10-01

    Adiabatic quantum algorithms represent a promising approach to universal quantum computation. In isolated systems, a key limitation to such algorithms is the presence of avoided level crossings, where gaps become extremely small. In open quantum systems, the fundamental robustness of adiabatic algorithms remains unresolved. Here, we study the dynamics near an avoided level crossing associated with the adiabatic quantum search algorithm, when the system is coupled to a generic environment. At zero temperature, we find that the algorithm remains scalable provided the noise spectral density of the environment decays sufficiently fast at low frequencies. By contrast, higher order scattering processes render the algorithm inefficient at any finite temperature regardless of the spectral density, implying that no quantum speedup can be achieved. Extensions and implications for other adiabatic quantum algorithms will be discussed.

  2. Time dependence of adiabatic particle number

    NASA Astrophysics Data System (ADS)

    Dabrowski, Robert; Dunne, Gerald V.

    2016-09-01

    We consider quantum field theoretic systems subject to a time-dependent perturbation, and discuss the question of defining a time-dependent particle number not just at asymptotic early and late times, but also during the perturbation. Naïvely, this is not a well-defined notion for such a nonequilibrium process, as the particle number at intermediate times depends on a basis choice of reference states with respect to which particles and antiparticles are defined, even though the final late-time particle number is independent of this basis choice. The basis choice is associated with a particular truncation of the adiabatic expansion. The adiabatic expansion is divergent, and we show that if this divergent expansion is truncated at its optimal order, a universal time dependence is obtained, confirming a general result of Dingle and Berry. This optimally truncated particle number provides a clear picture of quantum interference effects for perturbations with nontrivial temporal substructure. We illustrate these results using several equivalent definitions of adiabatic particle number: the Bogoliubov, Riccati, spectral function and Schrödinger picture approaches. In each approach, the particle number may be expressed in terms of the tiny deviations between the exact and adiabatic solutions of the Ermakov-Milne equation for the associated time-dependent oscillators.

  3. Wigner phase space distribution via classical adiabatic switching

    SciTech Connect

    Bose, Amartya; Makri, Nancy

    2015-09-21

    Evaluation of the Wigner phase space density for systems of many degrees of freedom presents an extremely demanding task because of the oscillatory nature of the Fourier-type integral. We propose a simple and efficient, approximate procedure for generating the Wigner distribution that avoids the computational difficulties associated with the Wigner transform. Starting from a suitable zeroth-order Hamiltonian, for which the Wigner density is available (either analytically or numerically), the phase space distribution is propagated in time via classical trajectories, while the perturbation is gradually switched on. According to the classical adiabatic theorem, each trajectory maintains a constant action if the perturbation is switched on infinitely slowly. We show that the adiabatic switching procedure produces the exact Wigner density for harmonic oscillator eigenstates and also for eigenstates of anharmonic Hamiltonians within the Wentzel-Kramers-Brillouin (WKB) approximation. We generalize the approach to finite temperature by introducing a density rescaling factor that depends on the energy of each trajectory. Time-dependent properties are obtained simply by continuing the integration of each trajectory under the full target Hamiltonian. Further, by construction, the generated approximate Wigner distribution is invariant under classical propagation, and thus, thermodynamic properties are strictly preserved. Numerical tests on one-dimensional and dissipative systems indicate that the method produces results in very good agreement with those obtained by full quantum mechanical methods over a wide temperature range. The method is simple and efficient, as it requires no input besides the force fields required for classical trajectory integration, and is ideal for use in quasiclassical trajectory calculations.

  4. Density response of the mesospheric sodium layer to gravity wave perturbations

    NASA Technical Reports Server (NTRS)

    Shelton, J. D.; Gardner, C. S.; Sechrist, C. F., Jr.

    1980-01-01

    Lidar observations of the mesospheric sodium layer often reveal wavelike features moving through the layer. It is often assumed that these features are a layer density response to gravity waves. Chiu and Ching (1978) described the approximate form of the linear response of atmospheric layers to gravity waves. In this paper, their results are used to predict the response of the sodium layer to gravity waves. These simulations are compared with experimental observations and a good correlation is found between the two. Because of the thickness of the sodium layer and the density gradients found in it, a linear model of the layer response is not always adequate to describe gravity wave-sodium layer interactions. Inclusion of nonlinearities in the layer response is briefly discussed. Experimental data is seen to contain features consistent with the predicted nonlinearities.

  5. Isothermal and Adiabatic Measurements.

    ERIC Educational Resources Information Center

    McNairy, William W.

    1996-01-01

    Describes the working of the Adiabatic Gas Law Apparatus, a useful tool for measuring the pressure, temperature, and volume of a variety of gases undergoing compressions and expansions. Describes the adaptation of this apparatus to perform isothermal measurements and discusses the theory behind the adiabatic and isothermal processes. (JRH)

  6. The bond-breaking and bond-making puzzle: many-body perturbation versus density-functional theory

    NASA Astrophysics Data System (ADS)

    Caruso, Fabio; Rohr, Daniel; Hellgren, Maria; Ren, Xinguo; Rinke, Patrick; Rubio, Angel; Scheffler, Matthias

    2013-03-01

    Diatomic molecules at dissociation provide a prototypical situation in which the ground-state cannot be described by a single Slater determinant. For the paradigmatic case of H2-dissociation we compare state-of-the-art many-body perturbation theory in the GW approximation and density-functional theory (DFT) in the exact-exchange plus random-phase approximation for the correlation energy (RPA). Results from the recently developed renormalized second-order perturbation theory (rPT2) are also reported. For an unbiased comparison and to prevent spurious starting point effects both RPA and GW are iterated to full self-consistency (i.e. sc-RPA and sc- GW). Both include topologically identical diagrams for the exchange and correlation energy but are evaluated with a non-interacting Kohn-Sham and an interacting GW Green function, respectively. This has profound consequences for the kinetic and the correlation energy. GW and rPT2 are both accurate at equilibrium, but fail at dissociation, in contrast to sc-RPA. This failure demonstrates the need of including higher order correlation diagrams in sc- GW . Our results indicate that RPA-based DFT is a strong contender for a universally applicable electronic-structure theory. F. Caruso et al. arxiv.org/abs/1210.8300.

  7. Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.

    2012-07-01

    Many approximations have been developed to help deal with the O(N4) growth of the electron repulsion integral (ERI) tensor, where N is the number of one-electron basis functions used to represent the electronic wavefunction. Of these, the density fitting (DF) approximation is currently the most widely used despite the fact that it is often incapable of altering the underlying scaling of computational effort with respect to molecular size. We present a method for exploiting sparsity in three-center overlap integrals through tensor decomposition to obtain a low-rank approximation to density fitting (tensor hypercontraction density fitting or THC-DF). This new approximation reduces the 4th-order ERI tensor to a product of five matrices, simultaneously reducing the storage requirement as well as increasing the flexibility to regroup terms and reduce scaling behavior. As an example, we demonstrate such a scaling reduction for second- and third-order perturbation theory (MP2 and MP3), showing that both can be carried out in O(N4) operations. This should be compared to the usual scaling behavior of O(N5) and O(N6) for MP2 and MP3, respectively. The THC-DF technique can also be applied to other methods in electronic structure theory, such as coupled-cluster and configuration interaction, promising significant gains in computational efficiency and storage reduction.

  8. Brillouin-zone integration scheme for many-body density of states: Tetrahedron method combined with cluster perturbation theory

    NASA Astrophysics Data System (ADS)

    Seki, K.; Yunoki, S.

    2016-06-01

    By combining the tetrahedron method with the cluster perturbation theory (CPT), we present an accurate method to numerically calculate the density of states of interacting fermions without introducing the Lorentzian broadening parameter η or the numerical extrapolation of η →0 . The method is conceptually based on the notion of the effective single-particle Hamiltonian which can be subtracted in the Lehmann representation of the single-particle Green's function within the CPT. Indeed, we show the general correspondence between the self-energy and the effective single-particle Hamiltonian which describes exactly the single-particle excitation energies of interacting fermions. The detailed formalism is provided for two-dimensional multiorbital systems and a benchmark calculation is performed for the two-dimensional single-band Hubbard model. The method can be adapted straightforwardly to symmetry-broken states, three-dimensional systems, and finite-temperature calculations.

  9. Are both symmetric and buckled dimers on Si(100) minima? Density functional and multireference perturbation theory calculations

    SciTech Connect

    Jung, Yousung; Shao, Yihan; Gordon, Mark S.; Doren, Douglas J.; Head-Gordon, Martin

    2003-08-29

    We report a spin-unrestricted density functional theory (DFT) solution at the symmetric dimer structure for cluster models of Si(100). With this solution, it is shown that the symmetric structure is a minimum on the DFT potential energy surface, although higher in energy than the buckled structure. In restricted DFT calculations the symmetric structure is a saddle point connecting the two buckled minima. To further assess the effects of electron correlation on the relative energies of symmetric versus buckled dimers on Si(100), multireference second order perturbation theory (MRMP2) calculations are performed on these DFT optimized minima. The symmetric structure is predicted to be lower in energy than the buckled structure via MRMP2, while the reverse order is found by DFT. The implications for recent experimental interpretations are discussed.

  10. Cosmological magnetic field: a fossil of density perturbations in the early universe.

    PubMed

    Ichiki, Kiyotomo; Takahashi, Keitaro; Ohno, Hiroshi; Hanayama, Hidekazu; Sugiyama, Naoshi

    2006-02-10

    The origin of the substantial magnetic fields that are found in galaxies and on even larger scales, such as in clusters of galaxies, is yet unclear. If the second-order couplings between photons and electrons are considered, then cosmological density fluctuations, which explain the large-scale structure of the universe, can also produce magnetic fields on cosmological scales before the epoch of recombination. By evaluating the power spectrum of these cosmological magnetic fields on a range of scales, we show here that magnetic fields of 10(-18.1) gauss are generated at a 1-megaparsec scale and can be even stronger at smaller scales (10(-14.1) gauss at 10 kiloparsecs). These fields are large enough to seed magnetic fields in galaxies and may therefore have affected primordial star formation in the early universe.

  11. Nonadiabatic exchange dynamics during adiabatic frequency sweeps

    NASA Astrophysics Data System (ADS)

    Barbara, Thomas M.

    2016-04-01

    A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging.

  12. Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation

    NASA Astrophysics Data System (ADS)

    Poncé, S.; Antonius, G.; Gillet, Y.; Boulanger, P.; Laflamme Janssen, J.; Marini, A.; Côté, M.; Gonze, X.

    2014-12-01

    The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address it in the adiabatic harmonic approximation, based on first principles (e.g., density-functional theory), from different points of view: directly from atomic position fluctuations or, alternatively, from Janak's theorem generalized to the case where the Helmholtz free energy, including the vibrational entropy, is used. We prove their equivalence, based on the usual form of Janak's theorem and on the dynamical equation. We then also place the Allen-Heine-Cardona (AHC) theory of the renormalization in a first-principles context. The AHC theory relies on the rigid-ion approximation, and naturally leads to a self-energy (Fan) contribution and a Debye-Waller contribution. Such a splitting can also be done for the complete harmonic adiabatic expression, in which the rigid-ion approximation is not required. A numerical study within the density-functional perturbation theory framework allows us to compare the AHC theory with frozen-phonon calculations, with or without the rigid-ion approximation. For the two different numerical approaches without non-rigid-ion terms, the agreement is better than 7 μ eV in the case of diamond, which represent an agreement to five significant digits. The magnitude of the non-rigid-ion terms in this case is also presented, distinguishing specific phonon modes contributions to different electronic eigenenergies.

  13. Wireless adiabatic power transfer

    SciTech Connect

    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.

  14. Use of density functional theory orbitals in the GVVPT2 variant of second-order multistate multireference perturbation theory.

    PubMed

    Hoffmann, Mark R; Helgaker, Trygve

    2015-03-01

    A new variation of the second-order generalized van Vleck perturbation theory (GVVPT2) for molecular electronic structure is suggested. In contrast to the established procedure, in which CASSCF or MCSCF orbitals are first obtained and subsequently used to define a many-electron model (or reference) space, the use of an orbital space obtained from the local density approximation (LDA) variant of density functional theory is considered. Through a final, noniterative diagonalization of an average Fock matrix within orbital subspaces, quasicanonical orbitals that are otherwise indistinguishable from quasicanonical orbitals obtained from a CASSCF or MCSCF calculation are obtained. Consequently, all advantages of the GVVPT2 method are retained, including use of macroconfigurations to define incomplete active spaces and rigorous avoidance of intruder states. The suggested variant is vetted on three well-known model problems: the symmetric stretching of the O-H bonds in water, the dissociation of N2, and the stretching of ground and excited states C2 to more than twice the equilibrium bond length of the ground state. It is observed that the LDA-based GVVPT2 calculations yield good results, of comparable quality to conventional CASSCF-based calculations. This is true even for the C2 model problem, in which the orbital space for each state was defined by the LDA orbitals. These results suggest that GVVPT2 can be applied to much larger problems than previously accessible.

  15. Evaluation of Coupled Perturbed and Density Functional Methods of Computing the Parity-Violating Energy Difference between Enantiomers

    NASA Astrophysics Data System (ADS)

    MacDermott, A. J.; Hyde, G. O.; Cohen, A. J.

    2009-03-01

    We present new coupled-perturbed Hartree-Fock (CPHF) and density functional theory (DFT) computations of the parity-violating energy difference (PVED) between enantiomers for H2O2 and H2S2. Our DFT PVED computations are the first for H2S2 and the first with the new HCTH and OLYP functionals. Like other “second generation” PVED computations, our results are an order of magnitude larger than the original “first generation” uncoupled-perturbed Hartree-Fock computations of Mason and Tranter. We offer an explanation for the dramatically larger size in terms of cancellation of contributions of opposing signs, which also explains the basis set sensitivity of the PVED, and its conformational hypersensitivity (addressed in the following paper). This paper also serves as a review of the different types of “second generation” PVED computations: we set our work in context, comparing our results with those of four other groups, and noting the good agreement between results obtained by very different methods. DFT PVEDs tend to be somewhat inflated compared to the CPHF values, but this is not a problem when only sign and order of magnitude are required. Our results with the new OLYP functional are less inflated than those with other functionals, and OLYP is also more efficient computationally. We therefore conclude that DFT computation offers a promising approach for low-cost extension to larger biosystems, especially polymers. The following two papers extend to terrestrial and extra-terrestrial amino acids respectively, and later work will extend to polymers.

  16. Observation and modeling of mesospheric Na density and OH airglow perturbations by a gravity wave approaching a critical level

    NASA Astrophysics Data System (ADS)

    Snively, Jonathan; Pautet, Pierre-Dominique; Taylor, Michael; Swenson, Gary; Liu, Alan

    2010-05-01

    Atmospheric gravity waves at a broad range of temporal and spatial scales are frequently observed in MLT airglow imaging experiments. Airglow data provide significant insight into gravity wave propagation, directionality, and seasonality, and allow estimations of wave fluxes [e.g., Swenson et al., JGR, 104(D6), 1999]. The USU CEDAR Mesospheric Temperature Mapper (MTM) is a specialized CCD airglow imaging system, which was operated at Maui MALT from November 2001 to December 2006. The MTM captures OH(6,2) and O2(0,1) emissions intensities and associated rotational temperatures. The MTM is able to reveal two-dimensional structure of intensity and temperature perturbations associated with small-scale gravity waves, and has been used to assess zenith temperatures, showing close agreement with simultaneous lidar temperature data [Zhao et al., J. Geophys. Res., 110, D09S07, 2005]. Here we investigate the vertical and horizontal structure of a small-scale gravity wave (~18 minute period and ~37 km horizontal wavelength) captured by the Maui MTM on April 11, 2002. The event was strongly visible in the OH(6,2) image data, showing intensity perturbations ~ 5-10 %, however relatively weak in the O2 data. Lidar temperatures and winds suggest the presence of a critical level shortly above ~90 km, which would have contributed to increased dissipation, and reduced detectability, due to small vertical scale. With imaged intensity and rotational temperature data, along with evolving Na lidar profile data, we reconstruct and simulate the wave event under realistic ambient conditions using a suite of numerical models. Hydroxyl photochemistry and dynamics of O3, H, O, and Na densities are obtained with a two-dimensional nonlinear numerical model for gravity wave dynamics [Snively and Pasko, JGR, 113, A06303, 2008], allowing direct comparison of OH(6,2) intensity and brightness-weighted temperature perturbations [e.g., Makhlouf et al., JGR, 100(D6), 11289, 1995]. The strong sheared

  17. LINEAR INVERSION OF TRANSMITTED ACOUSTIC WAVE FIELDS FOR THREE-DIMENSIONAL MODULUS AND DENSITY PERTURBATIONS USING A BORN-TYPE APPROXIMATION.

    USGS Publications Warehouse

    Stauber, Douglas A.

    1985-01-01

    A Born approximation is used to linearize the relationship, in the horizontal-wavenumber and frequency domains, between lateral perturbations of modulus and density in a layered half-space and the acoustic wave field observed at the surface when a plane wave is incident from below. The resulting equations can be used to perform a linear inversion of observed acoustic wave fields to obtain lateral perturbations in modulus and density. Since modulus and density effects are separated, gravity observations can be included in the inversion procedure without any assumptions about the relationship between density and acoustic velocity. Tests with synthetic data sets reveal that the inversion method gives useful results when the spatial scales of the inhomogeneities are smaller than several acoustic wavelengths. Refs.

  18. Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations: An Efficient Implementation.

    PubMed

    Bozkaya, Uğur

    2014-06-10

    An efficient implementation of the orbital-optimized second-order perturbation theory with the density-fitting (DF-OMP2) and Cholesky decomposition (CD-OMP2) approaches is presented. The DF-OMP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost with the conventional orbital-optimized MP2 (OMP2) [Bozkaya, U.; Turney, J. M.; Yamaguchi, Y.; Schaefer, H. F.; Sherrill, C. D. J. Chem. Phys. 2011, 135, 104103] and the orbital-optimized MP2 with the resolution of the identity approach (OO-RI-MP2) [Neese, F.; Schwabe, T.; Kossmann, S.; Schirmer, B.; Grimme, S. J. Chem. Theory Comput. 2009, 5, 3060-3073]. Our results demonstrate that the DF-OMP2 method provides substantially lower computational costs than OMP2 and OO-RI-MP2. Further application results show that the orbital-optimized methods are very beneficial for the computation of open-shell noncovalent interactions. Considering both computational efficiency and the accuracy of the DF-OMP2 method, we conclude that DF-OMP2 is very promising for the study of weak interactions in open-shell molecular systems.

  19. Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index

    NASA Astrophysics Data System (ADS)

    Petousis, Ioannis; Chen, Wei; Hautier, Geoffroy; Graf, Tanja; Schladt, Thomas D.; Persson, Kristin A.; Prinz, Fritz B.

    2016-03-01

    We demonstrate a high-throughput density functional perturbation theory (DFPT) methodology capable of screening compounds for their dielectric properties. The electronic and ionic dielectric tensors are calculated for 88 compounds, where the eigenvalues of the total dielectric tensors are compared with single crystal and polycrystalline experimental values reported in the literature. We find that GGA/PBE has a smaller mean average deviation from experiments (MARD=16.2 %) when compared to LDA. The prediction accuracy of DFPT is lowest for compounds that exhibit complex structural relaxation effects (e.g., octahedra rotation in perovskites) and/or strong anharmonicity. Despite some discrepancies between DFPT results and reported experimental values, the high-throughput methodology is found to be useful in identifying interesting compounds by ranking. This is demonstrated by the high Spearman correlation factor (ρ =0.92 ). Finally, we demonstrate that DFPT provides a good estimate for the refractive index of a compound without calculating the frequency dependence of the dielectric matrix (MARD=5.7 %).

  20. Relativistic Density Functional Calculations of Hyperfine Coupling with Variational versus Perturbational Treatment of Spin-Orbit Coupling.

    PubMed

    Verma, Prakash; Autschbach, Jochen

    2013-04-01

    Different approaches are compared for relativistic density functional theory (DFT) and Hartree-Fock (HF) calculations of electron-nucleus hyperfine coupling (HFC) in molecules with light atoms, in transition metal complexes, and in selected actinide halide complexes with a formal metal 5f(1) configuration. The comparison includes hybrid density functionals with range-separated exchange. Within the variationally stable zeroth-order regular approximation (ZORA) relativistic framework, the HFC is obtained (i) with a linear response (LR) method where spin-orbit (SO) coupling is treated as a linear perturbation, (ii) with a spin-polarized approach closely related to a DFT method for calculating magnetic anisotropy (MA) previously devised by van Wüllen et al. where SO coupling is included variationally, (iii) with a quasi-restricted variational SO method previously devised by van Lenthe, van der Avoird, and Wormer (LWA). The MA and LWA approaches for HFC calculations were implemented in the open-source NWChem quantum chemistry package as part of this study. The methodology extends recent implementations for calculations of electronic g-factors (J. Chem. Theor. Comput.2013, 9, 1052). The impact of electron correlation (DFT vs HF) and DFT delocalization errors, the effects of spin-polarization, the importance of treating spin-orbit coupling beyond first-order, and the magnitude of finite-nucleus effects, are investigated. Similar to calculations of g-factors, the MA approach in conjunction with hybrid functionals performs reasonably well for theoretical predictions of HFC in a wide range of scenarios. PMID:26583544

  1. 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

  2. On dark energy isocurvature perturbation

    SciTech Connect

    Liu, Jie; Zhang, Xinmin; Li, Mingzhe E-mail: limz@nju.edu.cn

    2011-06-01

    Determining the equation of state of dark energy with astronomical observations is crucially important to understand the nature of dark energy. In performing a likelihood analysis of the data, especially of the cosmic microwave background and large scale structure data the dark energy perturbations have to be taken into account both for theoretical consistency and for numerical accuracy. Usually, one assumes in the global fitting analysis that the dark energy perturbations are adiabatic. In this paper, we study the dark energy isocurvature perturbation analytically and discuss its implications for the cosmic microwave background radiation and large scale structure. Furthermore, with the current astronomical observational data and by employing Markov Chain Monte Carlo method, we perform a global analysis of cosmological parameters assuming general initial conditions for the dark energy perturbations. The results show that the dark energy isocurvature perturbations are very weakly constrained and that purely adiabatic initial conditions are consistent with the data.

  3. Improved Performance of High Areal Density Indirect Drive Implosions at the National Ignition Facility using a Four-Shock Adiabat Shaped Drive

    SciTech Connect

    Casey, D. T.; Milovich, J. L.; Smalyuk, V. A.; Clark, D. S.; Robey, H. F.; Pak, A.; MacPhee, A. G.; Baker, K. L.; Weber, C. R.; Ma, T.; Park, H. -S.; Döppner, T.; Callahan, D. A.; Haan, S. W.; Patel, P. K.; Peterson, J. L.; Hoover, D.; Nikroo, A.; Yeamans, C. B.; Merrill, F. E.; Volegov, P. L.; Fittinghoff, D. N.; Grim, G. P.; Edwards, M. J.; Landen, O. L.; Lafortune, K. N.; MacGowan, B. J.; Widmayer, C. C.; Sayre, D. B.; Hatarik, R.; Bond, E. J.; Nagel, S. R.; Benedetti, L. R.; Izumi, N.; Khan, S.; Bachmann, B.; Spears, B. K.; Cerjan, C. J.; Gatu Johnson, M.; Frenje, J. A.

    2015-09-01

    Hydrodynamic instabilities can cause capsule defects and other perturbations to grow and degrade implosion performance in ignition experiments at the National Ignition Facility (NIF). Here, we show the first experimental demonstration that a strong unsupported first shock in indirect drive implosions at the NIF reduces ablation front instability growth leading to a 3 to 10 times higher yield with fuel ρR > 1 g=cm2. This work shows the importance of ablation front instability growth during the National Ignition Campaign and may provide a path to improved performance at the high compression necessary for ignition.

  4. Improved Performance of High Areal Density Indirect Drive Implosions at the National Ignition Facility using a Four-Shock Adiabat Shaped Drive

    DOE PAGES

    Casey, D. T.; Milovich, J. L.; Smalyuk, V. A.; Clark, D. S.; Robey, H. F.; Pak, A.; MacPhee, A. G.; Baker, K. L.; Weber, C. R.; Ma, T.; et al

    2015-09-01

    Hydrodynamic instabilities can cause capsule defects and other perturbations to grow and degrade implosion performance in ignition experiments at the National Ignition Facility (NIF). Here, we show the first experimental demonstration that a strong unsupported first shock in indirect drive implosions at the NIF reduces ablation front instability growth leading to a 3 to 10 times higher yield with fuel ρR > 1 g=cm2. This work shows the importance of ablation front instability growth during the National Ignition Campaign and may provide a path to improved performance at the high compression necessary for ignition.

  5. Demographic response to perturbations: the role of compensatory density dependence in a North American duck under variable harvest regulations and changing habitat.

    PubMed

    Péron, Guillaume; Nicolai, Christopher A; Koons, David N

    2012-09-01

    1. Most wild animal populations are subjected to many perturbations, including environmental forcing and anthropogenic mortality. How population size varies in response to these perturbations largely depends on life-history strategy and density regulation. 2. Using the mid-continent population of redhead Aythya americana (a North American diving duck), we investigated the population response to two major perturbations, changes in breeding habitat availability (number of ponds in the study landscape) and changes in harvest regulations directed at managing mortality patterns (bag limit). We used three types of data collected at the continental scale (capture-recovery, population surveys and age- and sex ratios in the harvest) and combined them into integrated population models to assess the interaction between density dependence and the effect of perturbations. 3. We observed a two-way interaction between the effects on fecundity of pond number and population density. Hatch-year female survival was also density dependent. Matrix modelling showed that population booms could occur after especially wet years. However, the effect of moderate variation in pond number was generally offset by density dependence the following year. 4. Mortality patterns were insensitive to changes in harvest regulations and, in males at least, insensitive to density dependence as well. We discuss potential mechanisms for compensation of hunting mortality as well as possible confounding factors. 5. Our results illustrate the interplay of density dependence and environmental variation both shaping population dynamics in a harvested species, which could be generalized to help guide the dual management of habitat and harvest regulations. PMID:22433018

  6. Adiabatic capture and debunching

    SciTech Connect

    Ng, K.Y.; /Fermilab

    2012-03-01

    In the study of beam preparation for the g-2 experiment, adiabatic debunching and adiabatic capture are revisited. The voltage programs for these adiabbatic processes are derived and their properties discussed. Comparison is made with some other form of adiabatic capture program. The muon g-2 experiment at Fermilab calls for intense proton bunches for the creation of muons. A booster batch of 84 bunches is injected into the Recycler Ring, where it is debunched and captured into 4 intense bunches with the 2.5-MHz rf. The experiment requires short bunches with total width less than 100 ns. The transport line from the Recycler to the muon-production target has a low momentum aperture of {approx} {+-}22 MeV. Thus each of the 4 intense proton bunches required to have an emittance less than {approx} 3.46 eVs. The incoming booster bunches have total emittance {approx} 8.4 eVs, or each one with an emittance {approx} 0.1 eVs. However, there is always emittance increase when the 84 booster bunches are debunched. There will be even larger emittance increase during adiabatic capture into the buckets of the 2.5-MHz rf. In addition, the incoming booster bunches may have emittances larger than 0.1 eVs. In this article, we will concentrate on the analysis of the adiabatic capture process with the intention of preserving the beam emittance as much as possible. At this moment, beam preparation experiment is being performed at the Main Injector. Since the Main Injector and the Recycler Ring have roughly the same lattice properties, we are referring to adiabatic capture in the Main Injector instead in our discussions.

  7. Adiabatic gate teleportation.

    PubMed

    Bacon, Dave; Flammia, Steven T

    2009-09-18

    The difficulty in producing precisely timed and controlled quantum gates is a significant source of error in many physical implementations of quantum computers. Here we introduce a simple universal primitive, adiabatic gate teleportation, which is robust to timing errors and many control errors and maintains a constant energy gap throughout the computation above a degenerate ground state space. This construction allows for geometric robustness based upon the control of two independent qubit interactions. Further, our piecewise adiabatic evolution easily relates to the quantum circuit model, enabling the use of standard methods from fault-tolerance theory for establishing thresholds.

  8. Plasma Density and Electro-Magnetic Field Perturbations Hf-Induced in the Outer Ionosphere: Review of Experimental Results

    NASA Astrophysics Data System (ADS)

    Frolov, Vladimir; Rauch, Jean-Louis; Parrot, Michel; Rapoport, Victor; Shorokhova, Elena

    In the report we consider features of plasma density and electro-magnetic field perturbations induced in the Earth’s outer ionosphere by modification of F _{2} region by O-mode powerful HF radio waves radiated by the SURA heating facility. Experiments presented were carried out in 2005 - 2010. Plasma density perturbations were detected at altitudes of about of 700 km by instruments onboard the French DEMETER satellite when it intersected the disturbed magnetic flux tube. The formation of artificial HF-induced plasma density ducts in the outer ionosphere is a central discovery, which was made during the SURA-DEMETER experiments [1,2]. Analysis of experimental data available makes it possible to formulate ducts features and point out the conditions under which the formation of such ducts takes place. 1. Under night conditions ducts are characterized by the increased plasma density in the range from 20% to 80% relatively to its background value. As this takes place, the excess in the plasma ion component is due to O (+) ions dominating at altitudes of about 700 km, whereas the densities of lower mass H (+) and He ({+) } ions typically decrease by a percentage amount that is much more the relative increase in the density of O (+) ions. The duct formation was never observed under daytime conditions. According to [3] the HF-induced ducts were observed by ionosphere pumping in morning and evening hours but in these cases their intensity was no more than a few percentages. 2. The size of the ducts along the satellite orbits is of about 80 - 100 km. It is a reason why such ducts can be observed only if the minimal distance between the satellite and the center of the heated flux tube is less than 50 km. 3. The formation of ducts is observed only if the effective radiated power is more than 40 MW. For the SURA facility, to heat the ionosphere at higher efficiency due to the “magnetic-zenith effect”, the HF beam is often inclined by 12 - 16(°) southward. 4. The pump

  9. exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-01

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G0W0. Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more.

  10. Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory.

    PubMed

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-10

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G(0)W(0). Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more. PMID:25135665

  11. Electron correlation and dimerization in trans-polyacetylene: Many-body perturbation theory versus density-functional methods

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1995-06-01

    Structural and energetic aspects of the Peierls-type lattice dimerization were investigated in infinite, one-dimensional, periodic trans-polyacetylene (t-PA) using many-body perturbation theory (MBPT) and density-functional theory (DFT). Cohesive properties and dimerization parameters were obtained first for the classical Coulomb potential in the Hartree approximation and then by gradually turning on exchange and correlation potentials. Besides the nonlocal Hartree-Fock exchange, several other exchange functionals were used incorporating gradient corrections as well. For MBPT, electron correlation was included up to the fourth order of the Mo/ller-Plesset scheme and the behavior of lattice sums for different PT terms was analyzed in detail. The electrostatic part of the infinite lattice sums was computed by the multipole expansion technique. In solving the polymer Kohn-Sham equations, the performance of several different correlation potentials was studied again including different gradient corrections. Atomic basis sets of systematically increasing size, in the range of double-zeta to triple-zeta (TZ) up to TZ (3df,3p2d), were used in all calculations to construct the symmetry-adapted (Bloch-type) polymer wave functions, to fully optimize the structures, and to extrapolate different physical quantities to the limit of a hypothetical infinite basis set. Comparison of the different DFT results with MBPT and with experiments demonstrated the importance of gradient terms both for exchange and correlation. On the other hand, the best DFT functional, using a medium-size atomic basis set, excellently reproduced the cohesive and dimerization energies obtained for infinite t-PA at the MP4/TZ(3d2f,3p2d) level and provided dimerization parameters close to experiment. The experimentally observed lattice spacing of 2.46+/-0.01 Å will be correctly predicted both at the MBPT and DFT levels with 2.48 and 2.44 Å, respectively.

  12. On adiabatic invariant in generalized Galileon theories

    SciTech Connect

    Ema, Yohei; Jinno, Ryusuke; Nakayama, Kazunori; Mukaida, Kyohei E-mail: jinno@hep-th.phys.s.u-tokyo.ac.jp E-mail: kazunori@hep-th.phys.s.u-tokyo.ac.jp

    2015-10-01

    We consider background dynamics of generalized Galileon theories in the context of inflation, where gravity and inflaton are non-minimally coupled to each other. In the inflaton oscillation regime, the Hubble parameter and energy density oscillate violently in many cases, in contrast to the Einstein gravity with minimally coupled inflaton. However, we find that there is an adiabatic invariant in the inflaton oscillation regime in any generalized Galileon theory. This adiabatic invariant is useful in estimating the expansion law of the universe and also the particle production rate due to the oscillation of the Hubble parameter.

  13. Spontaneous emission in stimulated Raman adiabatic passage

    SciTech Connect

    Ivanov, P. A.; Vitanov, N. V.; Bergmann, K.

    2005-11-15

    This work explores the effect of spontaneous emission on the population transfer efficiency in stimulated Raman adiabatic passage (STIRAP). The approach uses adiabatic elimination of weakly coupled density matrix elements in the Liouville equation, from which a very accurate analytic approximation is derived. The loss of population transfer efficiency is found to decrease exponentially with the factor {omega}{sub 0}{sup 2}/{gamma}, where {gamma} is the spontaneous emission rate and {omega}{sub 0} is the peak Rabi frequency. The transfer efficiency increases with the pulse delay and reaches a steady value. For large pulse delay and large spontaneous emission rate STIRAP degenerates into optical pumping.

  14. Joint Inversion of Geoid Anomaly and Teleseismic P-Wave Delay Times: Modeling Density and Velocity Perturbations Beneath the Parana Magmatic Province

    NASA Astrophysics Data System (ADS)

    Chaves, C. A. M.; Ussami, N.; Ritsema, J.

    2014-12-01

    The Parana Magmatic Province (PMP) is one of the largest continental igneous provinces (LIP) on Earth. It is well dated at 133 Ma preceding the opening of the South Atlantic Ocean, but the causative geodynamic processes are still poorly understood. Although a low-velocity anomaly has been imaged by seismic tomography in the northeast region of the PMP and interpreted as a fossil conduct of a mantle plume that is related to the flood basalt eruptions, geochemical data indicate that such magmatism is caused by the melting of a heterogeneous and enriched lithospheric mantle with no deep plume participation. Models of density perturbations in the upper mantle estimated from joint inversion of geoid anomalies and P-wave delay times will offer important constraints on mantle dynamics. A new generation of accurate global geopotential models derived from satellite-missions (e.g. GRACE, GOCE) allows us to estimate density distribution within the Earth from geoid inversion. In order to obtain the residual geoid anomaly related to the density structure of the mantle, we use the EGM2008 model removing estimated geoid perturbations owing to variations in crustal structure (i.e., topographical masses, Moho depth, thickness of sediments and basalts). Using a spherical-Earth approximation, the density model space is represented by a set of tesseroids and the velocity model is parameterized in nodes of a spherical grid where cubic B-splines are utilized as an interpolation function. To constrain the density inversion, we add more than 10,000 manually picked teleseismic P-wave delay times. During the inversion procedure, density and P-wave velocity are linked through the optimization of a constant linear factor correlating density and velocity perturbation. Such optimization will be performed using a probability density function (PDF) [Tarantola, 2005]. We will present the preliminary results of this joint inversion scheme and hypothesize on the geodynamic processes responsible for

  15. Adiabatically implementing quantum gates

    SciTech Connect

    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.

  16. 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.

  17. Global adiabaticity and non-Gaussianity consistency condition

    NASA Astrophysics Data System (ADS)

    Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao

    2016-10-01

    In the context of single-field inflation, the conservation of the curvature perturbation on comoving slices, Rc, on super-horizon scales is one of the assumptions necessary to derive the consistency condition between the squeezed limit of the bispectrum and the spectrum of the primordial curvature perturbation. However, the conservation of Rc holds only after the perturbation has reached the adiabatic limit where the constant mode of Rc dominates over the other (usually decaying) mode. In this case, the non-adiabatic pressure perturbation defined in the thermodynamic sense, δPnad ≡ δP - cw2 δρ where cw2 = P ˙ / ρ ˙ , usually becomes also negligible on superhorizon scales. Therefore one might think that the adiabatic limit is the same as thermodynamic adiabaticity. This is in fact not true. In other words, thermodynamic adiabaticity is not a sufficient condition for the conservation of Rc on super-horizon scales. In this paper, we consider models that satisfy δPnad = 0 on all scales, which we call global adiabaticity (GA), which is guaranteed if cw2 = cs2, where cs is the phase velocity of the propagation of the perturbation. A known example is the case of ultra-slow-roll (USR) inflation in which cw2 = cs2 = 1. In order to generalize USR we develop a method to find the Lagrangian of GA K-inflation models from the behavior of background quantities as functions of the scale factor. Applying this method we show that there indeed exists a wide class of GA models with cw2 = cs2, which allows Rc to grow on superhorizon scales, and hence violates the non-Gaussianity consistency condition.

  18. Adiabatic quantum simulation of quantum chemistry.

    PubMed

    Babbush, Ryan; Love, Peter J; Aspuru-Guzik, Alán

    2014-10-13

    We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.

  19. Adiabatic Quantum Simulation of Quantum Chemistry

    NASA Astrophysics Data System (ADS)

    Babbush, Ryan; Love, Peter J.; Aspuru-Guzik, Alán

    2014-10-01

    We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.

  20. Shortcuts to adiabaticity from linear response theory

    SciTech Connect

    Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian

    2015-10-23

    A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times.

  1. Shortcuts to adiabaticity from linear response theory

    DOE PAGES

    Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian

    2015-10-23

    A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. Moreover, with the help of phenomenological response functions, a simple expression for the excess work is found—quantifying the nonequilibrium excitations. For two specific examples, i.e., the quantum parametric oscillator and the spin 1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. We finally propose a degenerate family of protocols, which facilitates shortcuts tomore » adiabaticity for specific and very short driving times.« less

  2. Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt.

    PubMed

    Hill, J Grant

    2011-07-28

    Auxiliary basis sets specifically matched to the correlation consistent cc-pVnZ-PP, cc-pwCVnZ-PP, aug-cc-pVnZ-PP, and aug-cc-pwCVnZ-PP orbital basis sets (used in conjunction with pseudopotentials) for the 5d transition metal elements Hf-Pt have been optimized for use in density fitting second-order Møller-Plesset perturbation theory and other correlated ab initio methods. Calculations of the second-order Møller-Plesset perturbation theory correlation energy, for a test set of small to medium sized molecules, indicate that the density fitting error when utilizing these sets is negligible at three to four orders of magnitude smaller than the orbital basis set incompleteness error.

  3. On the adiabatic stability of solitons and the matching of conservation laws

    NASA Astrophysics Data System (ADS)

    Lochak, Pierre

    1984-08-01

    We derive a series of identities which generalize and simplify the results obtained for adiabatically modulated solitons in the case of perturbed specific integrable equations. It stresses the importance of the variational properties of the solitons, which make an adiabatic theorem plausible. A precise conjecture is made and its validity discussed from different points of view.

  4. THE FIRST MEASUREMENT OF THE ADIABATIC INDEX IN THE SOLAR CORONA USING TIME-DEPENDENT SPECTROSCOPY OF HINODE/EIS OBSERVATIONS

    SciTech Connect

    Van Doorsselaere, Tom; Wardle, Nick; Jansari, Kishan; Verwichte, Erwin; Nakariakov, Valery M.; Del Zanna, Giulio

    2011-02-01

    We use observations of a slow magnetohydrodynamic wave in the corona to determine for the first time the value of the effective adiabatic index, using data from the Extreme-ultraviolet Imaging Spectrometer on board Hinode. We detect oscillations in the electron density, using the CHIANTI atomic database to perform spectroscopy. From the time-dependent wave signals from multiple spectral lines the relationship between relative density and temperature perturbations is determined, which allows in turn to measure the effective adiabatic index to be {gamma}{sub eff} = 1.10 {+-} 0.02. This confirms that the thermal conduction along the magnetic field is very efficient in the solar corona. The thermal conduction coefficient is measured from the phase lag between the temperature and density, and is shown to be compatible with Spitzer conductivity.

  5. Observational tests of non-adiabatic Chaplygin gas

    SciTech Connect

    Carneiro, S.; Pigozzo, C. E-mail: cpigozzo@ufba.br

    2014-10-01

    In a previous paper [1] it was shown that any dark sector model can be mapped into a non-adiabatic fluid formed by two interacting components, one with zero pressure and the other with equation-of-state parameter ω = -1. It was also shown that the latter does not cluster and, hence, the former is identified as the observed clustering matter. This guarantees that the dark matter power spectrum does not suffer from oscillations or instabilities. It applies in particular to the generalised Chaplygin gas, which was shown to be equivalent to interacting models at both background and perturbation levels. In the present paper we test the non-adiabatic Chaplygin gas against the Hubble diagram of type Ia supernovae, the position of the first acoustic peak in the anisotropy spectrum of the cosmic microwave background and the linear power spectrum of large scale structures. We consider two different compilations of SNe Ia, namely the Constitution and SDSS samples, both calibrated with the MLCS2k2 fitter, and for the power spectrum we use the 2dFGRS catalogue. The model parameters to be adjusted are the present Hubble parameter, the present matter density and the Chaplygin gas parameter α. The joint analysis best fit gives α ≈ - 0.5, which corresponds to a constant-rate energy flux from dark energy to dark matter, with the dark energy density decaying linearly with the Hubble parameter. The ΛCDM model, equivalent to α = 0, stands outside the 3σ confidence interval.

  6. 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.

  7. Local entanglement generation in the adiabatic regime

    SciTech Connect

    Cliche, M.; Veitia, Andrzej

    2010-09-15

    We study entanglement generation in a pair of qubits interacting with an initially correlated system. Using time-independent perturbation theory and the adiabatic theorem, we show conditions under which the qubits become entangled as the joint system evolves into the ground state of the interacting theory. We then apply these results to the case of qubits interacting with a scalar quantum field. We study three different variations of this setup; a quantum field subject to Dirichlet boundary conditions, a quantum field interacting with a classical potential, and a quantum field that starts in a thermal state.

  8. Cosmological perturbations and the Weinberg theorem

    SciTech Connect

    Akhshik, Mohammad; Firouzjahi, Hassan; Jazayeri, Sadra E-mail: firouz@ipm.ir

    2015-12-01

    The celebrated Weinberg theorem in cosmological perturbation theory states that there always exist two adiabatic scalar modes in which the comoving curvature perturbation is conserved on super-horizon scales. In particular, when the perturbations are generated from a single source, such as in single field models of inflation, both of the two allowed independent solutions are adiabatic and conserved on super-horizon scales. There are few known examples in literature which violate this theorem. We revisit the theorem and specify the loopholes in some technical assumptions which violate the theorem in models of non-attractor inflation, fluid inflation, solid inflation and in the model of pseudo conformal universe.

  9. Adiabatic Halo Formation

    SciTech Connect

    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.

  10. Theory of laser-induced adiabat shaping in inertial fusion implosions: The relaxation method

    SciTech Connect

    Betti, R.; Anderson, K.; Knauer, J.; Collins, T.J.B.; McCrory, R.L.; McKenty, P.W.; Skupsky, S.

    2005-04-15

    The theory of the adiabat shaping induced by a strong shock propagating through a relaxed density profile is carried out for inertial confinement fusion (ICF) capsules. The relaxed profile is produced through a laser prepulse, while the adiabat-shaping shock is driven by the foot of the main laser pulse. The theoretical adiabat profiles accurately reproduce the simulation results. ICF capsules with a shaped adiabat are expected to benefit from improved hydrodynamic stability while maintaining the same one-dimensional performances as flat-adiabat shells.

  11. Influence of Critical Current Density on Guidance Force Decay of HTS Bulk Exposed to AC Magnetic Field Perturbation in a Maglev Vehicle System

    NASA Astrophysics Data System (ADS)

    Longcai, Zhang; Jianguo, Kong

    2012-07-01

    Superconducting maglev vehicle is one of the most promising applications of HTS bulks. In such a system, the HTS bulks are always exposed to AC external magnetic field, which is generated by the inhomogeneous surface magnetic field of the NdFeB guideway. In our previous work, we studied the guidance force decay of the YBCO bulk over the NdFdB guideway used in the High-temperature superconducting maglev vehicle system with the application of the AC external magnetic field, and calculated the guidance force decay as a function of time based on an analytic model. In this paper, we investigated the influence of the critical current density on the guidance force decay of HTS bulk exposed to AC field perturbation in the maglev vehicle system and try to adopt a method to suppress the decay. From the results, it was found that the guidance force decay rate was higher for the bulk with lower critical current density. Therefore, we could suppress the guidance force decay of HTS bulk exposed to AC external magnetic field perturbation in the maglev vehicle system by improving critical current density of the bulk.

  12. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.

    PubMed

    Göltl, Florian; Grüneis, Andreas; Bučko, Tomas; Hafner, Jürgen

    2012-09-21

    The adsorption of small alkane molecules in purely siliceous and protonated chabazite has been investigated at different levels of theory: (i) density-functional (DFT) calculations with a gradient-corrected exchange-correlation functional; DFT calculations using the Perdew-Burke-Ernzerhof (PBE) functional with corrections for the missing dispersion forces in the form of C(6)∕R(6) pair potentials with (ii) C(6) parameters and vdW radii determined by fitting accurate energies for a large molecular data base (PBE-d) or (iii) derived from "atoms in a solid" calculations; (iv) DFT calculations using a non-local correlation functional constructed such as to account for dispersion forces (vdW-DF); (v) calculations based on the random phase approximation (RPA) combined with the adiabatic-coupling fluctuation-dissipation theorem; and (vi) using Hartree-Fock (HF) calculations together with correlation energies calculated using second-order Møller-Plesset (MP2) perturbation theory. All calculations have been performed for periodic models of the zeolite and using a plane-wave basis and the projector-augmented wave method. The simpler and computationally less demanding approaches (i)-(iv) permit a calculation of the forces acting on the atoms using the Hellmann-Feynman theorem and further a structural optimization of the adsorbate-zeolite complex, while RPA and MP2 calculations can be performed only for a fixed geometry optimized at a lower level of theory. The influence of elevated temperature has been taken into account by averaging the adsorption energies calculated for purely siliceous and protonated chabazite, with weighting factors determined by molecular dynamics calculations with dispersion-corrected forces from DFT. Compared to experiment, the RPA underestimates the adsorption energies by about 5 kJ/mol while MP2 leads to an overestimation by about 6 kJ/Mol (averaged over methane, ethane, and propane). The most accurate results have been found for the "hybrid" RPA

  13. Adiabatic Betatron deceleration of ionospheric charged particles: a new explanation for (i) the rapid outflow of ionospheric O ions, and for (ii) the increase of plasma mass density observed in magnetospheric flux tubes during main phases of geomagnetic s

    NASA Astrophysics Data System (ADS)

    Lemaire, Joseph; Pierrard, Viviane; Darrouzet, Fabien

    2013-04-01

    Using European arrays of magnetometers and the cross-phase analysis to determine magnetic field line resonance frequencies, it has been found by Kale et al. (2009) that the plasma mass density within plasmaspheric flux tubes increased rapidly after the SSC of the Hallowe'en 2003 geomagnetic storms. These observations tend to confirm other independent experimental results, suggesting that heavy ion up-flow from the ionosphere is responsible for the observed plasma density increases during main phases of geomagnetic storms. The aim of our contribution is to point out that, during main phases, reversible Betatron effect induced by the increase of the southward Dst-magnetic field component (|Δ Bz|), diminishes slightly the perpendicular kinetic energy (W?) of charged particles spiraling along field lines. Furthermore, due to the conservation of the first adiabatic invariant (μ = Wm/ Bm) the mirror points of all ionospheric ions and electrons are lifted up to higher altitudes i.e. where the mirror point magnetic field (Bm) is slightly smaller. Note that the change of the mirror point altitude is given by: Δ hm = -1/3 (RE + hm) Δ Bm / Bm. It is independent of the ion species and it does not depend of their kinetic energy. The change of kinetic energy is determined by: Δ Wm = Wm Δ Bm / Bm. Both of these equations have been verified numerically by Lemaire et al. (2005; doi: 10.1016/S0273-1177(03)00099-1) using trajectory calculations in a simple time-dependant B-field model: i.e. the Earth's magnetic dipole, plus an increasing southward B-field component: i.e. the Dst magnetic field whose intensity becomes more and more negative during the main phase of magnetic storms. They showed that a variation of Bz (or Dst) by more than - 50 nT significantly increases the mirror point altitudes by more than 100 km which is about equal to scale height of the plasma density in the topside ionosphere where particles are almost collisionless (see Fig. 2 in Lemaire et al., 2005

  14. 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.…

  15. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers.

    PubMed

    Misquitta, Alston J; Szalewicz, Krzysztof

    2005-06-01

    A symmetry-adapted perturbation theory based on Kohn-Sham determinants [SAPT(KS)] and utilizing asymptotically corrected exchange-correlation potentials has been applied to the He2, Ne2, (H2O)2, and (CO2)2 dimers. It is shown that SAPT(KS) is able to recover the electrostatic, first-order exchange, second-order induction, and exchange-induction energies with an accuracy approaching and occasionally surpassing that of regular SAPT at the currently programmed theory level. The use of the asymptotic corrections is critical to achieve this accuracy. The SAPT(KS) results can be obtained at a small fraction of the time needed for regular SAPT calculations. The robustness of the SAPT(KS) method with respect to the basis set size is also demonstrated. A theoretical justification for high accuracy of SAPT(KS) predictions for the electrostatic, first-order exchange, and second-order induction energies has been provided.

  16. Adiabatic Heating of Contracting Turbulent Fluids

    NASA Astrophysics Data System (ADS)

    Robertson, Brant; Goldreich, Peter

    2012-05-01

    Turbulence influences the behavior of many astrophysical systems, frequently by providing non-thermal pressure support through random bulk motions. Although turbulence is commonly studied in systems with constant volume and mean density, turbulent astrophysical gases often expand or contract under the influence of pressure or gravity. Here, we examine the behavior of turbulence in contracting volumes using idealized models of compressed gases. Employing numerical simulations and an analytical model, we identify a simple mechanism by which the turbulent motions of contracting gases "adiabatically heat," experiencing an increase in their random bulk velocities until the largest eddies in the gas circulate over a Hubble time of the contraction. Adiabatic heating provides a mechanism for sustaining turbulence in gases where no large-scale driving exists. We describe this mechanism in detail and discuss some potential applications to turbulence in astrophysical settings.

  17. ADIABATIC HEATING OF CONTRACTING TURBULENT FLUIDS

    SciTech Connect

    Robertson, Brant; Goldreich, Peter

    2012-05-10

    Turbulence influences the behavior of many astrophysical systems, frequently by providing non-thermal pressure support through random bulk motions. Although turbulence is commonly studied in systems with constant volume and mean density, turbulent astrophysical gases often expand or contract under the influence of pressure or gravity. Here, we examine the behavior of turbulence in contracting volumes using idealized models of compressed gases. Employing numerical simulations and an analytical model, we identify a simple mechanism by which the turbulent motions of contracting gases 'adiabatically heat', experiencing an increase in their random bulk velocities until the largest eddies in the gas circulate over a Hubble time of the contraction. Adiabatic heating provides a mechanism for sustaining turbulence in gases where no large-scale driving exists. We describe this mechanism in detail and discuss some potential applications to turbulence in astrophysical settings.

  18. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    PubMed

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  19. Topological analysis of the electron density distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluoride.

    PubMed

    Espinosa, Enrique; Alkorta, Ibon; Mata, Ignasi; Molins, Elies

    2005-07-28

    Within the framework of the molecular orbital (MO) theory, the addition of one electron to the 4sigma antibonding orbital of the neutral (F...H) system or the removal of one electron from its pi nonbonding orbitals, leading to (F...H)- and to (F...H)+, has permitted the investigation of these charge perturbations on the bond properties of the hydrogen fluoride molecule by using the topological analysis of rho(r). For (F...H), (F...H)-, and (F...H)+, the topological and energetic properties calculated at the F...H bond critical point (BCP) have been related to the 3sigma bonding molecular orbital (BMO) distribution, as this orbital is the main contributor to rho(r) at the interatomic surface. The analysis has been carried out at several F...H internuclear distances, ranging from 0.8 to 3.0 A. As far as the BMO distribution results from its interaction with the average Coulomb and exchange potential generated by the charge filling the other MOs, and in particular by the pi and 4sigma electrons, the comparison between the BCP properties calculated for the charged systems and those corresponding to the neutral one permits the interpretation of the differences in terms of the charge perturbation on BMO. Along with the BCP properties of (F...H), (F...H)-, and (F...H)+, the interaction energy magnitudes of these systems have been also calculated within the same range of internuclear distances, indicating that the applied perturbations do not break the F-H bond but soften it, giving rise to the stable species (F-H)- and (F-H)+. Comparing the three systems at their equilibrium geometries, the most stable configuration, which corresponds to the unperturbed (F...H) system, shows the highest quantity and the most locally concentrated charge density distribution, along with the largest total electron energy density magnitude, at the interatomic surface as a consequence of the BMO contraction toward the fluorine nucleus in (F...H)+ and of the BMO expansion toward both nuclei in

  20. Adiabatic theory of solitons fed by dispersive waves

    NASA Astrophysics Data System (ADS)

    Pickartz, Sabrina; Bandelow, Uwe; Amiranashvili, Shalva

    2016-09-01

    We consider scattering of low-amplitude dispersive waves at an intense optical soliton which constitutes a nonlinear perturbation of the refractive index. Specifically, we consider a single-mode optical fiber and a group velocity matched pair: an optical soliton and a nearly perfectly reflected dispersive wave, a fiber-optical analog of the event horizon. By combining (i) an adiabatic approach that is used in soliton perturbation theory and (ii) scattering theory from quantum mechanics, we give a quantitative account of the evolution of all soliton parameters. In particular, we quantify the increase in the soliton peak power that may result in the spontaneous appearance of an extremely large, so-called champion soliton. The presented adiabatic theory agrees well with the numerical solutions of the pulse propagation equation. Moreover, we predict the full frequency band of the scattered dispersive waves and explain an emerging caustic structure in the space-time domain.

  1. Growth rate of a shocked mixing layer with known initial perturbations [Mixing at shocked interfaces with known perturbations

    SciTech Connect

    Weber, Christopher R.; Cook, Andrew W.; Bonazza, Riccardo

    2013-05-14

    Here we derive a growth-rate model for the Richtmyer–Meshkov mixing layer, given arbitrary but known initial conditions. The initial growth rate is determined by the net mass flux through the centre plane of the perturbed interface immediately after shock passage. The net mass flux is determined by the correlation between the post-shock density and streamwise velocity. The post-shock density field is computed from the known initial perturbations and the shock jump conditions. The streamwise velocity is computed via Biot–Savart integration of the vorticity field. The vorticity deposited by the shock is obtained from the baroclinic torque with an impulsive acceleration. Using the initial growth rate and characteristic perturbation wavelength as scaling factors, the model collapses the growth-rate curves and, in most cases, predicts the peak growth rate over a range of Mach numbers (1.1 ≤Mi≤1.9), Atwood numbers (₋0.73 ≤ A ≤ ₋0.35 and 0.22 ≤ A ≤ 0.73), adiabatic indices (1.40/1.67≤γ12≤1.67/1.09) and narrow-band perturbation spectra. Lastly, the mixing layer at late times exhibits a power-law growth with an average exponent of θ=0.24.

  2. Between-day reliability of triceps surae responses to standing perturbations in people post-stroke and healthy controls: A high-density surface EMG investigation.

    PubMed

    Gallina, A; Pollock, C L; Vieira, T M; Ivanova, T D; Garland, S J

    2016-02-01

    The reliability of triceps surae electromyographic responses to standing perturbations in people after stroke and healthy controls is unknown. High-Density surface Electromyography (HDsEMG) is a technique that records electromyographic signals from different locations over a muscle, overcoming limitations of traditional surface EMG such as between-day differences in electrode placement. In this study, HDsEMG was used to measure responses from soleus (SOL, 18 channels) and medial and lateral gastrocnemius (MG and LG, 16 channels each) in 10 people after stroke and 10 controls. Timing and amplitude of the response were estimated for each channel of the grids. Intraclass Correlation Coefficient (ICC) and normalized Standard Error of Measurement (SEM%) were calculated for each channel individually (single-channel configuration) and on the median of each grid (all-channels configuration). Both timing (single-channel: ICC=0.75-0.96, SEM%=5.0-9.1; all-channels: ICC=0.85-0.97; SEM%=3.5-6.2%) and amplitude (single-channel: ICC=0.60-0.91, SEM%=25.1-46.6; ICC=0.73-0.95, SEM%=19.3-42.1) showed good-to-excellent reliability. HDsEMG provides reliable estimates of EMG responses to perturbations both in individuals after stroke and in healthy controls; reliability was marginally better for the all-channels compared to the single-channel configuration.

  3. Symmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionals

    SciTech Connect

    Lao, Ka Un; Herbert, John M.

    2014-01-28

    The performance of second-order symmetry-adapted perturbation theory (SAPT) calculations using Kohn-Sham (KS) orbitals is evaluated against benchmark results for intermolecular interactions. Unlike previous studies of this “SAPT(KS)” methodology, the present study uses non-empirically tuned long-range corrected (LRC) functionals for the monomers. The proper v{sub xc} (r)→0 asymptotic limit is achieved by tuning the range separation parameter in order to satisfy the condition that the highest occupied KS energy level equals minus the molecule's ionization energy, for each monomer unit. Tests for He{sub 2}, Ne{sub 2}, and the S22 and S66 data sets reveal that this condition is important for accurate prediction of the non-dispersion components of the energy, although errors in SAPT(KS) dispersion energies remain unacceptably large. In conjunction with an empirical dispersion potential, however, the SAPT(KS) method affords good results for S22 and S66, and also accurately predicts the whole potential energy curve for the sandwich isomer of the benzene dimer. Tuned LRC functionals represent an attractive alternative to other asymptotic corrections that have been employed in density-functional-based SAPT calculations, and we recommend the use of tuned LRC functionals in both coupled-perturbed SAPT(DFT) calculations and dispersion-corrected SAPT(KS) calculations.

  4. Between-day reliability of triceps surae responses to standing perturbations in people post-stroke and healthy controls: A high-density surface EMG investigation.

    PubMed

    Gallina, A; Pollock, C L; Vieira, T M; Ivanova, T D; Garland, S J

    2016-02-01

    The reliability of triceps surae electromyographic responses to standing perturbations in people after stroke and healthy controls is unknown. High-Density surface Electromyography (HDsEMG) is a technique that records electromyographic signals from different locations over a muscle, overcoming limitations of traditional surface EMG such as between-day differences in electrode placement. In this study, HDsEMG was used to measure responses from soleus (SOL, 18 channels) and medial and lateral gastrocnemius (MG and LG, 16 channels each) in 10 people after stroke and 10 controls. Timing and amplitude of the response were estimated for each channel of the grids. Intraclass Correlation Coefficient (ICC) and normalized Standard Error of Measurement (SEM%) were calculated for each channel individually (single-channel configuration) and on the median of each grid (all-channels configuration). Both timing (single-channel: ICC=0.75-0.96, SEM%=5.0-9.1; all-channels: ICC=0.85-0.97; SEM%=3.5-6.2%) and amplitude (single-channel: ICC=0.60-0.91, SEM%=25.1-46.6; ICC=0.73-0.95, SEM%=19.3-42.1) showed good-to-excellent reliability. HDsEMG provides reliable estimates of EMG responses to perturbations both in individuals after stroke and in healthy controls; reliability was marginally better for the all-channels compared to the single-channel configuration. PMID:27004641

  5. Spectra of gravity wave density and wind perturbations observed during ALOHA-90 on the 25 March flight between Maui and Christmas Island

    SciTech Connect

    Hostetler, C.A.; Gardner, C.S. ); Vincent, R.A.; Lesicar, D. )

    1991-07-01

    The airborne Na lidar and Christmas Island MF radar were used to measure the spectra of gravity wave density and wind perturbations during ALOHA-90 on the 25 March mission. Wave activity was especially strong near Christmas Island with measured wind variances between 1,000 and 1,400 (m/s){sup 2}. The vertical and meridional wave number spectra of horizontal wind perturbations exhibited power law shapes with slopes of {minus}3.17 and {minus}2.22, respectively. The temporal frequency spectrum appeared to be influenced by strong Doppler effects and had a shallow slope near {minus}1. The magnitudes of the spectra were 4.9 {times} 10{sup 5} (m/s){sup 2}/(cyc/m) at the vertical wave number 2{pi}/(4 km), 8.4 {times} 10{sup 6} (m/s){sup 2}/(cyc/m) at the meridional wave number 2{pi}/(200 km) and 7 {times} 10{sup 5} (m/s){sup 2}/(cyc/m) at the temporal frequency 2{pi}/(1 h).

  6. Rotation dependence of a phase delay between plasma edge electron density and temperature fields due to a fast rotating, resonant magnetic perturbation field

    SciTech Connect

    Stoschus, H.; Schmitz, O.; Frerichs, H.; Unterberg, B.; Abdullaev, S. S.; Clever, M.; Coenen, J. W.; Kruezi, U.; Schega, D.; Samm, U.; Jakubowski, M. W.

    2010-06-15

    Measurements of the plasma edge electron density n{sub e} and temperature T{sub e} fields during application of a fast rotating, resonant magnetic perturbation (RMP) field show a characteristic modulation of both, n{sub e} and T{sub e} coherent to the rotation frequency of the RMP field. A phase delay PHI between the n{sub e}(t) and T{sub e}(t) waveforms is observed and it is demonstrated that this phase delay PHI is a function of the radius with PHI(r) depending on the relative rotation of the RMP field and the toroidal plasma rotation. This provides for the first time direct experimental evidence for a rotation dependent damping of the external RMP field in the edge layer of a resistive high-temperature plasma which breaks down at low rotation and high resonant field amplitudes.

  7. Adiabatic invariants in stellar dynamics. 2: Gravitational shocking

    NASA Technical Reports Server (NTRS)

    Weinberg, Martin D.

    1994-01-01

    A new theory of gravitational shocking based on time-dependent perturbation theory shows that the changes in energy and angular momentum due to a slowly varying disturbance are not exponentially small for stellar dynamical systems in general. It predicts significant shock heating by slowly varying perturbations previously thought to be negligible according to the adiabatic criterion. The theory extends the scenarios traditionally computed only with the impulse approximation and is applicable to a wide class of disturbances. The approach is applied specifically to the problem of disk shocking of star clusters.

  8. New Dynamical Scaling Universality for Quantum Networks Across Adiabatic Quantum Phase Transitions

    NASA Astrophysics Data System (ADS)

    Acevedo, Oscar L.; Rodriguez, Ferney J.; Quiroga, Luis; Johnson, Neil F.; Rey, Ana M.

    2014-05-01

    We reveal universal dynamical scaling behavior across adiabatic quantum phase transitions in networks ranging from traditional spatial systems (Ising model) to fully connected ones (Dicke and Lipkin-Meshkov-Glick models). Our findings, which lie beyond traditional critical exponent analysis and adiabatic perturbation approximations, are applicable even where excitations have not yet stabilized and, hence, provide a time-resolved understanding of quantum phase transitions encompassing a wide range of adiabatic regimes. We show explicitly that even though two systems may traditionally belong to the same universality class, they can have very different adiabatic evolutions. This implies that more stringent conditions need to be imposed than at present, both for quantum simulations where one system is used to simulate the other and for adiabatic quantum computing schemes.

  9. New Dynamical Scaling Universality for Quantum Networks Across Adiabatic Quantum Phase Transitions

    NASA Astrophysics Data System (ADS)

    Acevedo, O. L.; Quiroga, L.; Rodríguez, F. J.; Johnson, N. F.

    2014-01-01

    We reveal universal dynamical scaling behavior across adiabatic quantum phase transitions in networks ranging from traditional spatial systems (Ising model) to fully connected ones (Dicke and Lipkin-Meshkov-Glick models). Our findings, which lie beyond traditional critical exponent analysis and adiabatic perturbation approximations, are applicable even where excitations have not yet stabilized and, hence, provide a time-resolved understanding of quantum phase transitions encompassing a wide range of adiabatic regimes. We show explicitly that even though two systems may traditionally belong to the same universality class, they can have very different adiabatic evolutions. This implies that more stringent conditions need to be imposed than at present, both for quantum simulations where one system is used to simulate the other and for adiabatic quantum computing schemes.

  10. Areal density evolution of isolated surface perturbations at the onset of x-ray ablation Richtmyer-Meshkov growth

    SciTech Connect

    Loomis, E. N.; Batha, S. H.; Braun, D.; Sorce, C.; Landen, O. L.

    2011-09-15

    Isolated defects on inertial confinement fusion ignition capsules are a concern as defects taller than a few hundred nanometers are calculated to form jets of high-Z material, which enter the main fuel. If this mixing of high-Z material is not controlled, a serious degradation in thermonuclear burn can occur. A path towards controlling the growth of defects on the outer surface of plastic capsules is currently under development, but requires accurate predictions of defect evolution driven by the early time ablative Richtmyer-Meshkov (RM) effect. The chief uncertainty is the Equation of State (EOS) for polystyrene and its effect on ablative RM. We report on measurements of the growth of isolated defects made at the onset of ablative RM oscillations driven by x-ray ablation to differentiate between EOS models used in design calculations. Experiments at the OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] used on-axis area backlighting radiography and x-ray framing cameras to determine bump areal densities at discrete times. Bumps 12 and 14 {mu}m tall and 33 {mu}m FWHM were found to grow to 2 x their initial areal density by 3 ns after the start of the drive laser pulse. Shock speed measurements established target conditions resulting from the ablation process. The tabular LEOS 5310 [D. Young and E. Corey, J. Appl. Phys. 78, 3748 (1995)] model shows good agreement with measured shock speeds and bump growth whereas the QEOS model [R. More et al., Phys. Fluids 31, 3059 (1988)] over predicts shock speed and under predicts bump growth by 6x. Differences in ablative RM behavior were also found for x-ray ablation compared to laser ablation, which result in an overestimation (or non-existence) of oscillation frequency for x-ray ablation as predicted by theory.

  11. Role of plasma response in determining density pump-out with Resonant Magnetic Perturbations (RMPs) in DIII-D

    NASA Astrophysics Data System (ADS)

    Mordijck, S.; Smith, S. P.

    2014-10-01

    We are studying the effect of RMPs on the density pump-out threshold in order to determine whether the transport changes are the result of change in turbulence or rotation. Applying RMPs strongly reduces the core rotation and increases the edge rotation, which reduces the ExB shear thus increasing turbulent transport. The toroidal rotation measurements made at two different toroidal location show no phase lag during rotating n = 2 RMP experiment, which is an indication that there is a strong n = 0 response. This n = 0 response could be the result of MHD effects, or due to changes in turbulence characteristics. New low ν* experiments at lower RMP strength allow us to test, whether this change in the toroidal rotation is the main drive behind the increase in particle transport in low collisionality H-mode plasmas on DIII-D as well as examine what is causing the n = 0 response to the toroidal rotation. Work supported in part by the US DOE under DE-SC0007880 and DE-FC02-04ER54698.

  12. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals.

    PubMed

    Loibl, Stefan; Schütz, Martin

    2014-07-14

    In this paper, we present theory and implementation of an efficient program for calculating magnetizabilities and rotational g tensors of closed-shell molecules at the level of local second-order Møller-Plesset perturbation theory (MP2) using London orbitals. Density fitting is employed to factorize the electron repulsion integrals with ordinary Gaussians as fitting functions. The presented program for the calculation of magnetizabilities and rotational g tensors is based on a previous implementation of NMR shielding tensors reported by S. Loibl and M. Schütz [J. Chem. Phys. 137, 084107 (2012)]. Extensive test calculations show (i) that the errors introduced by density fitting are negligible, and (ii) that the errors of the local approximation are still rather small, although larger than for nuclear magnetic resonance (NMR) shielding tensors. Electron correlation effects for magnetizabilities are tiny for most of the molecules considered here. MP2 appears to overestimate the correlation contribution of magnetizabilities such that it does not constitute an improvement over Hartree-Fock (when comparing to higher-order methods like CCSD(T)). For rotational g tensors the situation is different and MP2 provides a significant improvement in accuracy over Hartree-Fock. The computational performance of the new program was tested for two extended systems, the larger comprising about 2200 basis functions. It turns out that a magnetizability (or rotational g tensor) calculation takes about 1.5 times longer than a corresponding NMR shielding tensor calculation.

  13. Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study.

    PubMed

    Phung, Quan Manh; Wouters, Sebastian; Pierloot, Kristine

    2016-09-13

    The complete active space second order perturbation theory (CASPT2) can be extended to larger active spaces by using the density matrix renormalization group (DMRG) as solver. Two variants are commonly used: the costly DMRG-CASPT2 with exact 4-particle reduced density matrix (4-RDM) and the cheaper DMRG-cu(4)-CASPT2 in which the 4-cumulant is discarded. To assess the accuracy and limitations of the latter variant DMRG-cu(4)-CASPT2 we study the spin state energetics of iron porphyrin Fe(P) and its model compound FeL2, a model for the active center of NiFe hydrogenase, and manganese-oxo porphyrin MnO(P)(+); a series of excited states of chromium hexacarbonyl Cr(CO)6; and the interconversion of two Cu2O2(2+) isomers. Our results clearly show that PT2 on top of DMRG is essential in order to obtain quantitative results for transition metal complexes. Good results were obtained with DMRG-cu(4)-CASPT2 as compared to full CASPT2 and DMRG-CASPT2 in calculations with small- and medium-sized active spaces. In calculations with large-sized active spaces (∼30 active orbitals), the performance of DMRG-cu(4)-CASPT2 is less impressive due to the errors originating from both the finite number of renormalized states m and the 4-RDM approximation. PMID:27547847

  14. Magneto-reheating constraints from curvature perturbations

    SciTech Connect

    Ringeval, Christophe; Suyama, Teruaki; Yokoyama, Jun'ichi E-mail: suyama@resceu.s.u-tokyo.ac.jp

    2013-09-01

    As additional perturbative degrees of freedom, it is known that magnetic fields of inflationary origin can source curvature perturbations on super-Hubble scales. By requiring the magnetic generated curvature to remain smaller than its inflationary adiabatic counterpart during inflation and reheating, we derive new constraints on the maximal field value today, the reheating energy scale and its equation of state parameter. These bounds end up being stronger by a few order of magnitude than those associated with a possible backreaction of the magnetic field onto the background. Our results are readily applicable to any slow-roll single field inflationary models and any magnetic field having its energy density scaling as a{sup γ} during inflation. As an illustrative example, massive inflation is found to remain compatible with a magnetic field today B{sub 0} = 5 × 10{sup −15} G for some values of γ only if a matter dominated reheating takes place at energies larger than 10{sup 5} GeV. Conversely, assuming γ = −1, massive inflation followed by a matter dominated reheating cannot explain large scale magnetic fields larger than 10{sup −20} G today.

  15. Ultrafast Response of the Hubbard Model: Non-adiabatic TDDFT + DMFT versus Non-equilibrium DMFT Solution

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Turkowski, Volodymyr; Rahman, Talat S.

    We study the ultrafast response of electrons in the one-band Hubbard model to an external laser-pulse perturbation by using the Non-adiabatic Time-Dependent Density Functional Theory + Dynamical Mean-Field Theory (TDDFT +DMFT) approach. The corresponding exchange-correlation kernel (XC) is obtained from the DMFT charge susceptibility by using the Quantum Monte Carlo solver for the impurity problem. Detailed analysis of the time-dependent excited charge density, the Fermi distribution function, and the spatially nonhomogeneous response (metallic domain growth), is performed for different values for the carrier density and local Coulomb repulsion. We compare the results with the corresponding non-equilibrium DMFT solutions, and demonstrate that non-adiabaticity (frequency-dependence) of the XC kernel is important in order to reproduce the non-equilibrium DMFT solution. Also, from the numerical results for the charge susceptibility, we obtain an approximate analytical expression for the XC kernel. Using this kernel, we reveal possible types of ''elementary'' excitations and the dynamics of metallic domain growth in the case of the one-band Hubbard model. Possible generalization of the approach to the multi-orbital case is discussed. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  16. Observation and modeling of Na density and OH airglow temperature and intensity perturbations by a gravity wave approaching a critical level

    NASA Astrophysics Data System (ADS)

    Snively, J. B.; Pautet, P.; Taylor, M. J.; Swenson, G. R.

    2009-12-01

    Atmospheric gravity waves at a broad range of temporal and spatial scales are frequently observed in MLT airglow imaging experiments. Airglow data provide significant insight into gravity wave propagation, directionality, and seasonality, and allow estimations of wave fluxes [e.g., Swenson et al., JGR, 104(D6), 1999]. The USU CEDAR Mesospheric Temperature Mapper (MTM) is a specialized CCD airglow imaging system, which was operated at Maui MALT from November 2001 to December 2006. The MTM captures OH(6,2) and O2(0,1) emissions intensities and associated rotational temperatures. The MTM has been used previously to assess zenith temperatures, showing close agreement with simultaneous lidar temperature data [Zhao et al., J. Geophys. Res., 110, D09S07, 2005]. It is additionally able to reveal two-dimensional structure of intensity and temperature perturbations associated with small-scale gravity waves. Here we investigate the vertical and horizontal structure of a small-scale gravity wave (~18 minute period and ~37 km horizontal wavelength) captured by the Maui MTM on April 11, 2002. The event was strongly visible in the OH(6,2) image data, showing intensity perturbations ~ 5-10 %, however relatively weak in the O2 data. Lidar temperatures and winds suggest the presence of a critical level shortly above ~90 km, which would have contributed to increased dissipation, and reduced detectability, due to small vertical scale. Using imaged intensity and rotational temperature data, along with evolving Na lidar data, we reconstruct and simulate the wave event under realistic ambient conditions using a suite of numerical models. Hydroxyl photochemistry and dynamics of O3, H, O, and Na densities are obtained with a two-dimensional nonlinear numerical model for gravity wave dynamics [Snively and Pasko, JGR, 113, A06303, 2008], allowing direct comparison of OH(6,2) intensity and brightness-weighted temperature perturbations [e.g., Makhlouf et al., JGR, 100(D6), 11289, 1995]. The

  17. Adiabatic computation: A toy model

    NASA Astrophysics Data System (ADS)

    Ribeiro, Pedro; Mosseri, Rémy

    2006-10-01

    We discuss a toy model for adiabatic quantum computation which displays some phenomenological properties expected in more realistic implementations. This model has two free parameters: the adiabatic evolution parameter s and the α parameter, which emulates many-variable constraints in the classical computational problem. The proposed model presents, in the s-α plane, a line of first-order quantum phase transition that ends at a second-order point. The relation between computation complexity and the occurrence of quantum phase transitions is discussed. We analyze the behavior of the ground and first excited states near the quantum phase transition, the gap, and the entanglement content of the ground state.

  18. Adiabatic computation: A toy model

    SciTech Connect

    Ribeiro, Pedro; Mosseri, Remy

    2006-10-15

    We discuss a toy model for adiabatic quantum computation which displays some phenomenological properties expected in more realistic implementations. This model has two free parameters: the adiabatic evolution parameter s and the {alpha} parameter, which emulates many-variable constraints in the classical computational problem. The proposed model presents, in the s-{alpha} plane, a line of first-order quantum phase transition that ends at a second-order point. The relation between computation complexity and the occurrence of quantum phase transitions is discussed. We analyze the behavior of the ground and first excited states near the quantum phase transition, the gap, and the entanglement content of the ground state.

  19. Adiabatic evolution of plasma equilibrium

    PubMed Central

    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

  20. Compensated isocurvature perturbations and the cosmic microwave background

    NASA Astrophysics Data System (ADS)

    Grin, Daniel; Doré, Olivier; Kamionkowski, Marc

    2011-12-01

    Measurements of cosmic microwave background (CMB) anisotropies constrain isocurvature fluctuations between photons and nonrelativistic particles to be subdominant to adiabatic fluctuations. Perturbations in the relative number densities of baryons and dark matter, however, are surprisingly poorly constrained. In fact, baryon-density perturbations of fairly large amplitude may exist if they are compensated by dark-matter perturbations, so that the total density remains unchanged. These compensated isocurvature perturbations (CIPs) leave no imprint on the CMB at observable scales, at linear order. B modes in the CMB polarization are generated at reionization through the modulation of the optical depth by CIPs, but this induced polarization is small. The strongest known constraint ≲10% to the CIP amplitude comes from galaxy-cluster baryon fractions. Here, it is shown that modulation of the baryon density by CIPs at and before the decoupling of Thomson scattering at z˜1100 gives rise to CMB effects several orders of magnitude larger than those considered before. Polarization B modes are induced, as are correlations between temperature/polarization spherical-harmonic coefficients of different lm. It is shown that the CIP field at the surface of last scatter can be measured with these off-diagonal correlations. The sensitivity of ongoing and future experiments to these fluctuations is estimated. Data from the WMAP, ACT, SPT, and Spider experiments will be sensitive to fluctuations with amplitude ˜5-10%. The Planck satellite and Polarbear experiment will be sensitive to fluctuations with amplitude ˜3%. SPTPol, ACTPol, and future space-based polarization methods will probe amplitudes as low as ˜0.4%-0.6%. In the cosmic-variance limit, the smallest CIPs that could be detected with the CMB are of amplitude ˜0.05%.

  1. Adiabatic effects in the dynamics of Langmuir solitons

    SciTech Connect

    Astrelin, V.T.; Breizman, B.N.; Sedlacek, Z.; Jungwirth, K.

    1988-06-01

    The adiabatic slowness with which the plasma density profile is reconstructed from localized in large-amplitude Langmuir solitons is characteristic of such solitons. Several examples making use of this feature in the description of the soliton dynamics are given. Specifically, long-lived states in the form of composite solitons ar found. Additional limitations are found on the interaction of solitons with each other and with sound waves. The effect of the adiabatic nature on the formation of solitons from free plasmons is discussed.

  2. Out-of-equilibrium density dynamics of a quenched fermionic system

    NASA Astrophysics Data System (ADS)

    Porta, S.; Gambetta, F. M.; Cavaliere, F.; Traverso Ziani, N.; Sassetti, M.

    2016-08-01

    Using a Luttinger liquid theory we investigate the time evolution of the particle density of a one-dimensional fermionic system with open boundaries and subject to a finite duration quench of the interparticle interaction. We provide analytical and asymptotic solutions to the unitary time evolution of the system, showing that both switching on and switching off the quench ramp create light-cone perturbations in the density. The post-quench dynamics is strongly affected by the interference between these two perturbations. In particular, we find that the discrepancy between the time-dependent density and the one obtained by a generalized Gibbs ensemble picture vanishes with an oscillatory behavior as a function of the quench duration, with local minima corresponding to a perfect overlap of the two light-cone perturbations. For adiabatic quenches, we also obtain a similar behavior in the approach of the generalized Gibbs ensemble density towards the one associated with the ground state of the final Hamiltonian.

  3. Adiabatic connection at negative coupling strengths

    SciTech Connect

    Seidl, Michael; Gori-Giorgi, Paola

    2010-01-15

    The adiabatic connection of density functional theory (DFT) for electronic systems is generalized here to negative values of the coupling strength alpha (with attractive electrons). In the extreme limit alpha->-infinity a simple physical solution is presented and its implications for DFT (as well as its limitations) are discussed. For two-electron systems (a case in which the present solution can be calculated exactly), we find that an interpolation between the limit alpha->-infinity and the opposite limit of infinitely strong repulsion (alpha->+infinity) yields a rather accurate estimate of the second-order correlation energy E{sub c}{sup GL2}[rho] for several different densities rho, without using virtual orbitals. The same procedure is also applied to the Be isoelectronic series, analyzing the effects of near degeneracy.

  4. Lattice dynamical properties of superconducting SrPt3P studied via inelastic x-ray scattering and density functional perturbation theory

    NASA Astrophysics Data System (ADS)

    Zocco, D. A.; Krannich, S.; Heid, R.; Bohnen, K.-P.; Wolf, T.; Forrest, T.; Bosak, A.; Weber, F.

    2015-12-01

    We present a study of the lattice dynamical properties of superconducting SrPt3P (Tc=8.4 K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit coupling results in enhanced electron-phonon coupling (EPC) for the optic phonon modes originating from the Pt(I) atoms, with energies ˜5 meV, resulting in a large EPC constant λ ˜2 . An overall softening of the IXS powder spectra occurs from room to low temperatures, consistent with the predicted strong EPC and with recent specific-heat experiments (2 Δ0/kBTc˜5 ). The low-lying phonon modes observed in the experiments are approximately 1.5 meV harder than the corresponding calculated phonon branch. Moreover, we do not find any changes in the spectra upon entering the superconducting phase. We conclude that current theoretical calculations underestimate the energy of the lowest band of phonon modes indicating that the coupling of these modes to the electronic subsystem is overestimated.

  5. Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps

    NASA Astrophysics Data System (ADS)

    Gonthier, Jérôme F.; Sherrill, C. David

    2016-10-01

    Symmetry-Adapted Perturbation Theory (SAPT) is one of the most popular approaches to energy component analysis of non-covalent interactions between closed-shell systems, yielding both accurate interaction energies and meaningful interaction energy components. In recent years, the full open-shell equations for SAPT up to second-order in the intermolecular interaction and zeroth-order in the intramolecular correlation (SAPT0) were published [P. S. Zuchowski et al., J. Chem. Phys. 129, 084101 (2008); M. Hapka et al., ibid. 137, 164104 (2012)]. Here, we utilize density-fitted electron repulsion integrals to produce an efficient computational implementation. This approach is used to examine the effect of ionization on π-π interactions. For the benzene dimer radical cation, comparison against reference values indicates a good performance for open-shell SAPT0, except in cases with substantial charge transfer. For π stacking between hydrogen-bonded pairs of nucleobases, dispersion interactions still dominate binding, in spite of the creation of a positive charge.

  6. Electron correlation in extended systems: Fourth-order many-body perturbation theory and density-functional methods applied to an infinite chain of hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Suhai, Sándor

    1994-11-01

    Linear equidistant and bond-alternating infinite chains of hydrogen atoms have been investigated by the ab initio crystal-orbital method at the Hartree-Fock (HF) level, by including electron correlation up to the complete fourth order of the Mo/ller-Plesset perturbation theory (MP4-PT), and by using different versions of density-functional theory (DFT). The Bloch functions have been expanded in all cases in a series of high-quality atomic-orbital basis sets and complemented by extended sets of polarization functions up to 6s3p2d1f per H atom. In order to compare the performance of the PT and DFT methods, several physical properties have been computed at all theoretical levels including lattice geometry, cohesive energy, mechanisms of bond alternation (Peierls instability), and energetic features of nonequilibrium configurations (dissociation). For these latter quantities, both spin-restricted (RHF) and unrestricted (UHF) wave functions have been employed in all orders of PT. The methods described have been used parallel to infinite chains and to the H2 molecule, to be able to check their accuracy on experiments. In the case of the DFT, six different functionals (combining Slater and Becke exchange with local and gradient-corrected correlation potentials) have been utilized to test their accuracy in comparison with the MP4 results.

  7. Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions.

    PubMed

    Hohenstein, Edward G; Parrish, Robert M; Sherrill, C David; Turney, Justin M; Schaefer, Henry F

    2011-11-01

    Symmetry-adapted perturbation theory (SAPT) provides a means of probing the fundamental nature of intermolecular interactions. Low-orders of SAPT (here, SAPT0) are especially attractive since they provide qualitative (sometimes quantitative) results while remaining tractable for large systems. The application of density fitting and Laplace transformation techniques to SAPT0 can significantly reduce the expense associated with these computations and make even larger systems accessible. We present new factorizations of the SAPT0 equations with density-fitted two-electron integrals and the first application of Laplace transformations of energy denominators to SAPT. The improved scalability of the DF-SAPT0 implementation allows it to be applied to systems with more than 200 atoms and 2800 basis functions. The Laplace-transformed energy denominators are compared to analogous partial Cholesky decompositions of the energy denominator tensor. Application of our new DF-SAPT0 program to the intercalation of DNA by proflavine has allowed us to determine the nature of the proflavine-DNA interaction. Overall, the proflavine-DNA interaction contains important contributions from both electrostatics and dispersion. The energetics of the intercalator interaction are are dominated by the stacking interactions (two-thirds of the total), but contain important contributions from the intercalator-backbone interactions. It is hypothesized that the geometry of the complex will be determined by the interactions of the intercalator with the backbone, because by shifting toward one side of the backbone, the intercalator can form two long hydrogen-bonding type interactions. The long-range interactions between the intercalator and the next-nearest base pairs appear to be negligible, justifying the use of truncated DNA models in computational studies of intercalation interaction energies.

  8. Variational versus Perturbational Treatment of Spin-Orbit Coupling in Relativistic Density Functional Calculations of Electronic g Factors: Effects from Spin-Polarization and Exact Exchange.

    PubMed

    Verma, Prakash; Autschbach, Jochen

    2013-02-12

    Different approaches are compared for relativistic calculations of electronic g factors of molecules with light atoms, transition metal complexes, and selected complexes with actinides, using density functional theory (DFT) and Hartree-Fock (HF) theory. The comparison includes functionals with range-separated exchange. Within the variationally stable zeroth-order regular approximation (ZORA) relativistic framework, g factors are obtained with a linear response (LR) method where spin-orbit (SO) coupling is treated as a linear perturbation, a spin-polarized approach based on magnetic anisotropy (MA) that includes SO coupling variationally, and a quasi-restricted variational SO method previously devised by van Lenthe, van der Avoird, and Wormer (LWA). The MA and LWA approaches were implemented in the open-source NWChem quantum chemistry package. We address the importance of electron correlation (DFT vs HF), the importance of including spin polarization in the g tensor methodology, the question of whether the use of nonrelativistic spin density functionals is adequate for such calculations, and the importance of treating spin-orbit coupling beyond first-order. For selected systems, the extent of the DFT delocalization error is explicitly investigated via calculations of the energy as a function of fractional electron numbers. For a test set of small molecules with light main group atoms, all levels of calculation perform adequately as long as there is no energetic near-degeneracy among occupied and unoccupied orbitals. The interplay between different factors determining the accuracy of calculated g factors becomes more complex for systems with heavy elements such as third row transition metals and actinides. The MA approach is shown to perform acceptably well for a wide range of scenarios. PMID:26588748

  9. 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…

  10. Transitionless driving on adiabatic search algorithm

    SciTech Connect

    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.

  11. Studies in Chaotic adiabatic dynamics

    SciTech Connect

    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).

  12. Adiabatic cooling of solar wind electrons

    NASA Technical Reports Server (NTRS)

    Sandbaek, Ornulf; Leer, Egil

    1992-01-01

    In thermally driven winds emanating from regions in the solar corona with base electron densities of n0 not less than 10 exp 8/cu cm, a substantial fraction of the heat conductive flux from the base is transfered into flow energy by the pressure gradient force. The adiabatic cooling of the electrons causes the electron temperature profile to fall off more rapidly than in heat conduction dominated flows. Alfven waves of solar origin, accelerating the basically thermally driven solar wind, lead to an increased mass flux and enhanced adiabatic cooling. The reduction in electron temperature may be significant also in the subsonic region of the flow and lead to a moderate increase of solar wind mass flux with increasing Alfven wave amplitude. In the solar wind model presented here the Alfven wave energy flux per unit mass is larger than that in models where the temperature in the subsonic flow is not reduced by the wave, and consequently the asymptotic flow speed is higher.

  13. Converting entropy to curvature perturbations after a cosmic bounce

    NASA Astrophysics Data System (ADS)

    Fertig, Angelika; Lehners, Jean-Luc; Mallwitz, Enno; Wilson-Ewing, Edward

    2016-10-01

    We study two-field bouncing cosmologies in which primordial perturbations are created in either an ekpyrotic or a matter-dominated contraction phase. We use a non-singular ghost condensate bounce model to follow the perturbations through the bounce into the expanding phase of the universe. In contrast to the adiabatic perturbations, which on large scales are conserved across the bounce, entropy perturbations can grow significantly during the bounce phase. If they are converted into adiabatic/curvature perturbations after the bounce, they typically form the dominant contribution to the observed temperature fluctuations in the microwave background, which can have several beneficial implications. For ekpyrotic models, this mechanism loosens the constraints on the amplitude of the ekpyrotic potential while naturally suppressing the intrinsic amount of non-Gaussianity. For matter bounce models, the mechanism amplifies the scalar perturbations compared to the associated primordial gravitational waves.

  14. Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for Be{sub 2}, Mg{sub 2}, and Ca{sub 2}

    SciTech Connect

    Fromager, Emmanuel; Jensen, Hans Joergen Aa.

    2010-02-15

    A rigorous combination of multireference perturbation theory and density functional theory (DFT) is proposed. Based on a range separation of the regular two-electron Coulomb interaction, it combines a short-range density functional with second-order strongly contracted n-electron valence state perturbation theory (sc-NEVPT2). The huge advantage of the sc-NEVPT2 approach is that the density is unchanged through first order due to a generalized-Brillouin-type theorem so that the computationally cumbersome self-consistency contribution of short-range DFT to the second-order energy correction equals zero. The method yields very promising results for the van der Waals systems Be{sub 2}, Mg{sub 2}, and Ca{sub 2}; including the multireference system Be{sub 2}.

  15. Breakdown of adiabatic electron behavior in expanding magnetic fields

    NASA Astrophysics Data System (ADS)

    Lichko, Emily; Egedal, Jan; Daughton, William

    2015-11-01

    During magnetic reconnection the incoming magnetic flux tubes expand in the inflow region. If this expansion is sufficiently slow the results are well described by a previously developed adiabatic model. Using kinetic simulations in a simple geometry and applying rapid magnetic perturbations, this study investigates the point at which the adiabatic assumption fails. To this end a 2D VPIC simulation was constructed, where the magnetic field in a uniform plasma is perturbed by externally driven currents. By varying the onset speed of the magnetic perturbation and the electron thermal speed, we found a sharp threshold at which this model breaks down. We believe that this point is determined by the time of the magnetic pumping compared to the electron transit time through the region, i.e. ω ~ Ḃ / B ~vthe / L . This threshold was also characterized by the launching of Whistler waves and with time domain structures, such as electron holes and double layers, which agree with those seen during magnetic reconnection and may relate to similar structures in the Van Allen Belts. NSF GEM award 1405166 and NASA grant NNX14AC68G.

  16. Statistical mechanics of light elements at high pressure. VII - A perturbative free energy for arbitrary mixtures of H and He

    NASA Technical Reports Server (NTRS)

    Hubbard, W. B.; Dewitt, H. E.

    1985-01-01

    A model free energy is presented which accurately represents results from 45 high-precision Monte Carlo calculations of the thermodynamics of hydrogen-helium mixtures at pressures of astrophysical and planetophysical interest. The free energy is calculated using free-electron perturbation theory (dielectric function theory), and is an extension of the expression given in an earlier paper in this series. However, it fits the Monte Carlo results more accurately, and is valid for the full range of compositions from pure hydrogen to pure helium. Using the new free energy, the phase diagram of mixtures of liquid metallic hydrogen and helium is calculated and compared with earlier results. Sample results for mixing volumes are also presented, and the new free energy expression is used to compute a theoretical Jovian adiabat and compare the adiabat with results from three-dimensional Thomas-Fermi-Dirac theory. The present theory gives slightly higher densities at pressures of about 10 megabars.

  17. Adiabatic regularization of power spectra in nonminimally coupled chaotic inflation

    NASA Astrophysics Data System (ADS)

    Alinea, Allan L.

    2016-10-01

    We investigate the effect of adiabatic regularization on both the tensor- and scalar-perturbation power spectra in nonminimally coupled chaotic inflation. Similar to that of the minimally coupled general single-field inflation, we find that the subtraction term is suppressed by an exponentially decaying factor involving the number of e -folds. By following the subtraction term long enough beyond horizon crossing, the regularized power spectrum tends to the ``bare'' power spectrum. This study justifies the use of the unregularized (``bare'') power spectrum in standard calculations.

  18. Invalidity of the quantitative adiabatic condition and general conditions for adiabatic approximations

    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.

  19. High-density carbon ablator ignition path with low-density gas-filled rugby hohlraum

    SciTech Connect

    Amendt, Peter; Ho, Darwin D.; Jones, Ogden S.

    2015-04-15

    A recent low gas-fill density (0.6 mg/cc {sup 4}He) cylindrical hohlraum experiment on the National Ignition Facility has shown high laser-coupling efficiency (>96%), reduced phenomenological laser drive corrections, and improved high-density carbon capsule implosion symmetry [Jones et al., Bull. Am. Phys. Soc. 59(15), 66 (2014)]. In this Letter, an ignition design using a large rugby-shaped hohlraum [Amendt et al., Phys. Plasmas 21, 112703 (2014)] for high energetics efficiency and symmetry control with the same low gas-fill density (0.6 mg/cc {sup 4}He) is developed as a potentially robust platform for demonstrating thermonuclear burn. The companion high-density carbon capsule for this hohlraum design is driven by an adiabat-shaped [Betti et al., Phys. Plasmas 9, 2277 (2002)] 4-shock drive profile for robust high gain (>10) 1-D ignition performance and large margin to 2-D perturbation growth.

  20. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur

    2014-09-01

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  1. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

    SciTech Connect

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  2. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.

    PubMed

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  3. N-Electron Valence State Perturbation Theory Based on a Density Matrix Renormalization Group Reference Function, with Applications to the Chromium Dimer and a Trimer Model of Poly(p-Phenylenevinylene).

    PubMed

    Guo, Sheng; Watson, Mark A; Hu, Weifeng; Sun, Qiming; Chan, Garnet Kin-Lic

    2016-04-12

    The strongly contracted variant of second-order N-electron valence state perturbation theory (NEVPT2) is an efficient perturbative method to treat dynamic correlation without the problems of intruder states or level shifts, while the density matrix renormalization group (DMRG) provides the capability to address static correlation in large active spaces. We present a combination of the DMRG and strongly contracted NEVPT2 (DMRG-SC-NEVPT2) that uses an efficient algorithm to compute high-order reduced-density matrices from DMRG wave functions. The capabilities of DMRG-SC-NEVPT2 are demonstrated on calculations of the chromium dimer potential energy curve at the basis set limit, and the excitation energies of a trimer model of poly(p-phenylenevinylene) (PPV(n = 3)). PMID:26914415

  4. Nonlinear perturbations of cosmological scalar fields with non-standard kinetic terms

    NASA Astrophysics Data System (ADS)

    Renaux-Petel, Sébastien; Tasinato, Gianmassimo

    2009-01-01

    We adopt a covariant formalism to derive exact evolution equations for nonlinear perturbations, in a universe dominated by two scalar fields. These scalar fields are characterized by non-canonical kinetic terms and an arbitrary field space metric, a situation typically encountered in inflationary models inspired by string theory. We decompose the nonlinear scalar perturbations into adiabatic and entropy modes, generalizing the definition adopted in the linear theory, and we derive the corresponding exact evolution equations. We also obtain a nonlinear generalization of the curvature perturbation on uniform density hypersurfaces, showing that on large scales it is sourced only by the nonlinear version of the entropy perturbation. We then expand these equations to second order in the perturbations, using a coordinate based formalism. Our results are relatively compact and elegant and enable one to identify the new effects coming from the non-canonical structure of the scalar fields Lagrangian. We also explain how to analyze, in our formalism, the interesting scenario of multi-field Dirac-Born-Infeld inflation.

  5. Cosmological perturbations in unimodular gravity

    SciTech Connect

    Gao, Caixia; Brandenberger, Robert H.; Cai, Yifu; Chen, Pisin E-mail: rhb@hep.physics.mcgill.ca E-mail: chen@slac.stanford.edu

    2014-09-01

    We study cosmological perturbation theory within the framework of unimodular gravity. We show that the Lagrangian constraint on the determinant of the metric required by unimodular gravity leads to an extra constraint on the gauge freedom of the metric perturbations. Although the main equation of motion for the gravitational potential remains the same, the shift variable, which is gauge artifact in General Relativity, cannot be set to zero in unimodular gravity. This non-vanishing shift variable affects the propagation of photons throughout the cosmological evolution and therefore modifies the Sachs-Wolfe relation between the relativistic gravitational potential and the microwave temperature anisotropies. However, for adiabatic fluctuations the difference between the result in General Relativity and unimodular gravity is suppressed on large angular scales. Thus, no strong constraints on the theory can be derived.

  6. Adiabatic invariants in stellar dynamics. 1: Basic concepts

    NASA Technical Reports Server (NTRS)

    Weinberg, Martin D.

    1994-01-01

    The adiabatic criterion, widely used in astronomical dynamics, is based on the harmonic oscillator. It asserts that the change in action under a slowly varying perturbation is exponentially small. Recent mathematical results that precisely define the conditions for invariance show that this model does not apply in general. In particular, a slowly varying perturbation may cause significant evolution stellar dynamical systems even if its time scale is longer than any internal orbital time scale. This additional 'heating' may have serious implications for the evolution of star clusters and dwarf galaxies which are subject to long-term environmental forces. The mathematical developments leading to these results are reviewed, and the conditions for applicability to and further implications for stellar systems are discussed. Companion papers present a computational method for a general time-dependent disturbance and detailed example.

  7. 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.

  8. Adiabatic processes in monatomic gases

    NASA Astrophysics Data System (ADS)

    Carrera-Patiño, Martin E.

    1988-08-01

    A kinetic model is used to predict the temperature evolution of a monatomic ideal gas undergoing an adiabatic expansion or compression at a constant finite rate, and it is then generalized to treat real gases. The effects of interatomic forces are considered, using as examples the gas with the square-well potential and the van der Waals gas. The model is integrated into a Carnot cycle operating at a finite rate to compare the efficiency's rate-dependent behavior with the reversible result. Limitations of the model, rate penalties, and their importance are discussed.

  9. Adiabatic preparation of Floquet condensates

    NASA Astrophysics Data System (ADS)

    Heinisch, Christoph; Holthaus, Martin

    2016-10-01

    We argue that a Bose-Einstein condensate can be transformed into a Floquet condensate, that is, into a periodically time-dependent many-particle state possessing the coherence properties of a mesoscopically occupied single-particle Floquet state. Our reasoning is based on the observation that the denseness of the many-body system's quasienergy spectrum does not necessarily obstruct effectively adiabatic transport. Employing the idealized model of a driven bosonic Josephson junction, we demonstrate that only a small amount of Floquet entropy is generated when a driving force with judiciously chosen frequency and maximum amplitude is turned on smoothly.

  10. On the question of adiabatic invariants

    NASA Astrophysics Data System (ADS)

    Mitropol'Skii, Iu. A.

    Some aspects of the construction of adiabadic invariants for dynamic systems with a single degree of freedom are discussed. Adiabatic invariants are derived using classical principles and the method proposed by Djukic (1981). The discussion covers an adiabatic invariant for a dynamic system with slowly varying parameters; derivation of an expression for an adiabatic invariant by the Djukic method for a second-order equation with a variable mass; and derivation of an expression for the adiabatic invariant for a nearly integrable differential equation.

  11. Importance of adiabatic variations in trapped-particle distributions observed by the SCATHA satellite. Interim scientific report, March 1987-February 1989

    SciTech Connect

    Bass, J.N.; Gussenhoven, M.S.; Redus, R.H.

    1989-11-29

    Fluxes of trapped 20 keV-1 MeV electrons and ions observed by SCATHA from 5 to 8 R sub E are analyzed for a magnetically quiet and subsequent disturbed period to determine the contribution adiabatic variations make to the observed large variations. The magnetic field is modeled by a dipole distorted by the sum of an azimuthally symmetric and an asymmetric perturbation, which perturbations are empirically determined functions of time. Distribution functions for the disturbed period are predicted from those observed in the quiet period, assuming conservation of the three adiabatic invariants for magnetically trapped particles. The disturbance discussed here is observed during the ascending portion of the SCATHA orbit. The disturbance is first encountered when SCATHA crosses L=6.2R sub E, MLT=2140. It is characterized by a systematic weakening in the plasma sheet magnetic field and concurrent dropouts in the 90 deg. pitch angle high energy electron and ion fluxes. The electron fluxes and the magnetic field remain low for the remainder of this ascending leg, but the ion fluxes recover somewhat for L>7R sub E. The IMF B sub z is small but steadily northward for over 24 hours preceding this period. The solar wind velocity decreases at a slow rate before and during this period, while the solar wind ion density is steadily increasing. For magnetic field decompression, the theory based on conservation of the adiabatic invariants predicts deceleration of equatorially mirroring particles, causing reduction in the fluxes observed at a given energy similar to those seen in the early phase of this event.

  12. 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

  13. Quantum and classical dynamics in adiabatic computation

    NASA Astrophysics Data System (ADS)

    Crowley, P. J. D.; Äńurić, T.; Vinci, W.; Warburton, P. A.; Green, A. G.

    2014-10-01

    Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialized state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible. Moreover, a judicious choice of final Hamiltonian whose ground state encodes the solution to a problem allows adiabatic transport to be used for universal quantum computation. However, the dephasing effects of the environment limit the quantum correlations that an open system can support and degrade the power of such adiabatic computation. We quantify this effect by allowing the system to evolve over a restricted set of quantum states, providing a link between physically inspired classical optimization algorithms and quantum adiabatic optimization. This perspective allows us to develop benchmarks to bound the quantum correlations harnessed by an adiabatic computation. We apply these to the D-Wave Vesuvius machine with revealing—though inconclusive—results.

  14. Fluctuations of work in nearly adiabatically driven open quantum systems.

    PubMed

    Suomela, S; Salmilehto, J; Savenko, I G; Ala-Nissila, T; Möttönen, M

    2015-02-01

    We extend the quantum jump method to nearly adiabatically driven open quantum systems in a way that allows for an accurate account of the external driving in the system-environment interaction. Using this framework, we construct the corresponding trajectory-dependent work performed on the system and derive the integral fluctuation theorem and the Jarzynski equality for nearly adiabatic driving. We show that such identities hold as long as the stochastic dynamics and work variable are consistently defined. We numerically study the emerging work statistics for a two-level quantum system and find that the conventional diabatic approximation is unable to capture some prominent features arising from driving, such as the continuity of the probability density of work. Our results reveal the necessity of using accurate expressions for the drive-dressed heat exchange in future experiments probing jump time distributions. PMID:25768477

  15. Coherent tunnelling adiabatic passage in optical fibres using superimposed long-period fiber gratings

    NASA Astrophysics Data System (ADS)

    Thyagarajan, K.; Gupta, Ruchi

    2016-08-01

    In this paper, we present the optical analogue of stimulated Raman adiabatic passage (STIRAP) technique for three level atomic system in optical fibre geometry. Considering linearly polarized modes of an optical fibre, it is shown that using a pair of superimposed long-period gratings with peak refractive index perturbation varying spatially along the propagation axis, light can be transferred adiabatically from one core mode to another core mode via an intermediate cladding mode which itself does not get appreciably excited; thus acting like a dark mode. We compare the transmission spectrum of superimposed long-period gratings involved in adiabatic transfer with the transmission spectrum of conventional long-period grating. The analogue output is further analysed for its tolerance to the changes in the ambient refractive index, temperature and other fabrication parameters.

  16. Adiabatic approximation, Gell-Mann and Low theorem, and degeneracies: A pedagogical example

    NASA Astrophysics Data System (ADS)

    Brouder, Christian; Stoltz, Gabriel; Panati, Gianluca

    2008-10-01

    We study a simple system described by a 2×2 Hamiltonian and the evolution of its quantum states under the influence of a perturbation. More precisely, when the initial Hamiltonian is not degenerate, we check analytically the validity of the adiabatic approximation and verify that, even if the evolution operator has no limit for adiabatic switchings, the Gell-Mann and Low formula allows the evolution of eigenstates to be followed. In the degenerate case, for generic initial eigenstates, the adiabatic approximation (obtained by two different limiting procedures) is either useless or wrong, and the Gell-Mann and Low formula does not hold. We show how to select initial states in order to avoid such failures.

  17. Excitation energies along a range-separated adiabatic connection

    SciTech Connect

    Rebolini, Elisa Toulouse, Julien Savin, Andreas; Teale, Andrew M.; Helgaker, Trygve

    2014-07-28

    We present a study of the variation of total energies and excitation energies along a range-separated adiabatic connection. This connection links the non-interacting Kohn–Sham electronic system to the physical interacting system by progressively switching on the electron–electron interactions whilst simultaneously adjusting a one-electron effective potential so as to keep the ground-state density constant. The interactions are introduced in a range-dependent manner, first introducing predominantly long-range, and then all-range, interactions as the physical system is approached, as opposed to the conventional adiabatic connection where the interactions are introduced by globally scaling the standard Coulomb interaction. Reference data are reported for the He and Be atoms and the H{sub 2} molecule, obtained by calculating the short-range effective potential at the full configuration-interaction level using Lieb's Legendre-transform approach. As the strength of the electron–electron interactions increases, the excitation energies, calculated for the partially interacting systems along the adiabatic connection, offer increasingly accurate approximations to the exact excitation energies. Importantly, the excitation energies calculated at an intermediate point of the adiabatic connection are much better approximations to the exact excitation energies than are the corresponding Kohn–Sham excitation energies. This is particularly evident in situations involving strong static correlation effects and states with multiple excitation character, such as the dissociating H{sub 2} molecule. These results highlight the utility of long-range interacting reference systems as a starting point for the calculation of excitation energies and are of interest for developing and analyzing practical approximate range-separated density-functional methodologies.

  18. A geometric criterion for adiabatic chaos

    SciTech Connect

    Kaper, T.J. ); Kovacic, G. )

    1994-03-01

    Chaos in adiabatic Hamiltonian systems is a recent discovery and a pervasive phenomenon in physics. In this work, a geometric criterion is discussed based on the theory of action from classical mechanics to detect the existence of Smale horseshoe chaos in adiabatic systems. It is used to show that generic adiabatic planar Hamiltonian systems exhibit stochastic dynamics in large regions of phase space. To illustrate the method, results are obtained for three problems concerning relativistic particle dynamics, fluid mechanics, and passage through resonance, results which either could not be obtained with existing methods, or which were difficult and analytically impractical to obtain with them.

  19. Heating and cooling in adiabatic mixing process

    SciTech Connect

    Zhou Jing; Zou Xubo; Guo Guangcan; Cai Zi

    2010-12-15

    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.

  20. Quantum cosmological perturbations of multiple fluids

    NASA Astrophysics Data System (ADS)

    Peter, Patrick; Pinto-Neto, N.; Vitenti, Sandro D. P.

    2016-01-01

    The formalism to treat quantization and evolution of cosmological perturbations of multiple fluids is described. We first construct the Lagrangian for both the gravitational and matter parts, providing the necessary relevant variables and momenta leading to the quadratic Hamiltonian describing linear perturbations. The final Hamiltonian is obtained without assuming any equations of motions for the background variables. This general formalism is applied to the special case of two fluids, having in mind the usual radiation and matter mix which made most of our current Universe history. Quantization is achieved using an adiabatic expansion of the basis functions. This allows for an unambiguous definition of a vacuum state up to the given adiabatic order. Using this basis, we show that particle creation is well defined for a suitable choice of vacuum and canonical variables, so that the time evolution of the corresponding quantum fields is unitary. This provides constraints for setting initial conditions for an arbitrary number of fluids and background time evolution. We also show that the common choice of variables for quantization can lead to an ill-defined vacuum definition. Our formalism is not restricted to the case where the coupling between fields is small, but is only required to vary adiabatically with respect to the ultraviolet modes, thus paving the way to consistent descriptions of general models not restricted to single-field (or fluid).

  1. Disformal transformation of cosmological perturbations

    NASA Astrophysics Data System (ADS)

    Minamitsuji, Masato

    2014-10-01

    We investigate the gauge-invariant cosmological perturbations in the gravity and matter frames in the general scalar-tensor theory where two frames are related by the disformal transformation. The gravity and matter frames are the extensions of the Einstein and Jordan frames in the scalar-tensor theory where two frames are related by the conformal transformation, respectively. First, it is shown that the curvature perturbation in the comoving gauge to the scalar field is disformally invariant as well as conformally invariant, which gives the predictions from the cosmological model where the scalar field is responsible both for inflation and cosmological perturbations. Second, in case that the disformally coupled matter sector also contributes to curvature perturbations, we derive the evolution equations of the curvature perturbation in the uniform matter energy density gauge from the energy (non)conservation in the matter sector, which are independent of the choice of the gravity sector. While in the matter frame the curvature perturbation in the uniform matter energy density gauge is conserved on superhorizon scales for the vanishing nonadiabatic pressure, in the gravity frame it is not conserved even if the nonadiabatic pressure vanishes. The formula relating two frames gives the amplitude of the curvature perturbation in the matter frame, once it is evaluated in the gravity frame.

  2. Some properties of adiabatic blast waves in preexisting cavities

    NASA Technical Reports Server (NTRS)

    Cox, D. P.; Franco, J.

    1981-01-01

    Cox and Anderson (1982) have conducted an investigation regarding an adiabatic blast wave in a region of uniform density and finite external pressure. In connection with an application of the results of the investigation to a study of interstellar blast waves in the very hot, low-density matrix, it was found that it would be desirable to examine situations with a positive radial density gradient in the ambient medium. Information concerning such situations is needed to learn about the behavior of blast waves occurring within preexisting, presumably supernova-induced cavities in the interstellar mass distribution. The present investigation is concerned with the first steps of a study conducted to obtain the required information. A review is conducted of Sedov's (1959) similarity solutions for the dynamical structure of any explosion in a medium with negligible pressure and power law density dependence on radius.

  3. Simulation of periodically focused, adiabatic thermal beams

    SciTech Connect

    Chen, C.; Akylas, T. R.; Barton, T. J.; Field, D. M.; Lang, K. M.; Mok, R. V.

    2012-12-21

    Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K.R. Samokhvalova, J. Zhou and C. Chen, Phys. Plasma 14, 103102 (2007); J. Zhou, K.R. Samokhvalova and C. Chen, Phys. Plasma 15, 023102 (2008)]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam is found be stable in the parameter regime where the simulations are performed.

  4. Adiabatic Motion of Fault Tolerant Qubits

    NASA Astrophysics Data System (ADS)

    Drummond, David Edward

    This work proposes and analyzes the adiabatic motion of fault tolerant qubits in two systems as candidates for the building blocks of a quantum computer. The first proposal examines a pair of electron spins in double quantum dots, finding that the leading source of decoherence, hyperfine dephasing, can be suppressed by adiabatic rotation of the dots in real space. The additional spin-orbit effects introduced by this motion are analyzed, simulated, and found to result in an infidelity below the error-correction threshold. The second proposal examines topological qubits formed by Majorana zero modes theorized to exist at the ends of semiconductor nanowires coupled to conventional superconductors. A model is developed to design adiabatic movements of the Majorana bound states to produce entangled qubits. Analysis and simulations indicate that these adiabatic operations can also be used to demonstrate entanglement experimentally by testing Bell's theorem.

  5. General conditions for quantum adiabatic evolution

    SciTech Connect

    Comparat, Daniel

    2009-07-15

    Adiabaticity occurs when, during its evolution, a physical system remains in the instantaneous eigenstate of the Hamiltonian. Unfortunately, existing results, such as the quantum adiabatic theorem based on a slow down evolution [H({epsilon}t),{epsilon}{yields}0], are insufficient to describe an evolution driven by the Hamiltonian H(t) itself. Here we derive general criteria and exact bounds, for the state and its phase, ensuring an adiabatic evolution for any Hamiltonian H(t). As a corollary, we demonstrate that the commonly used condition of a slow Hamiltonian variation rate, compared to the spectral gap, is indeed sufficient to ensure adiabaticity but only when the Hamiltonian is real and nonoscillating (for instance, containing exponential or polynomial but no sinusoidal functions)

  6. Experimental demonstration of composite adiabatic passage

    NASA Astrophysics Data System (ADS)

    Schraft, Daniel; Halfmann, Thomas; Genov, Genko T.; Vitanov, Nikolay V.

    2013-12-01

    We report an experimental demonstration of composite adiabatic passage (CAP) for robust and efficient manipulation of two-level systems. The technique represents a altered version of rapid adiabatic passage (RAP), driven by composite sequences of radiation pulses with appropriately chosen phases. We implement CAP with radio-frequency pulses to invert (i.e., to rephase) optically prepared spin coherences in a Pr3+:Y2SiO5 crystal. We perform systematic investigations of the efficiency of CAP and compare the results with conventional π pulses and RAP. The data clearly demonstrate the superior features of CAP with regard to robustness and efficiency, even under conditions of weakly fulfilled adiabaticity. The experimental demonstration of composite sequences to support adiabatic passage is of significant relevance whenever a high efficiency or robustness of coherent excitation processes need to be maintained, e.g., as required in quantum information technology.

  7. Adiabatic limits on Riemannian Heisenberg manifolds

    SciTech Connect

    Yakovlev, A A

    2008-02-28

    An asymptotic formula is obtained for the distribution function of the spectrum of the Laplace operator, in the adiabatic limit for the foliation defined by the orbits of an invariant flow on a compact Riemannian Heisenberg manifold. Bibliography: 21 titles.

  8. Adiabatic invariance of oscillons/I -balls

    NASA Astrophysics Data System (ADS)

    Kawasaki, Masahiro; Takahashi, Fuminobu; Takeda, Naoyuki

    2015-11-01

    Real scalar fields are known to fragment into spatially localized and long-lived solitons called oscillons or I -balls. We prove the adiabatic invariance of the oscillons/I -balls for a potential that allows periodic motion even in the presence of non-negligible spatial gradient energy. We show that such a potential is uniquely determined to be the quadratic one with a logarithmic correction, for which the oscillons/I -balls are absolutely stable. For slightly different forms of the scalar potential dominated by the quadratic one, the oscillons/I -balls are only quasistable, because the adiabatic charge is only approximately conserved. We check the conservation of the adiabatic charge of the I -balls in numerical simulation by slowly varying the coefficient of logarithmic corrections. This unambiguously shows that the longevity of oscillons/I -balls is due to the adiabatic invariance.

  9. Adiabatic Demagnetization Cooler For Far Infrared Detector

    NASA Astrophysics Data System (ADS)

    Sato, Akio; Yazawa, Takashi; Yamamoto, Junya

    1988-11-01

    An small adiabatic demagnetization cooler for an astronomical far infrared detector has been built. Single crystals of manganese ammonium sulphate and chromium potassium alum, were prepared as magnetic substances. The superconducting magnet was indirectly cooled and operated by small current up to 13.3 A, the maximum field being 3.5 T. As a preliminary step, adiabatic demagnetization to zero field was implemented. The lowest temperature obtained was 0.5 K, for 5.0 K initial temperature.

  10. Symmetry of the Adiabatic Condition in the Piston Problem

    ERIC Educational Resources Information Center

    Anacleto, Joaquim; Ferreira, J. M.

    2011-01-01

    This study addresses a controversial issue in the adiabatic piston problem, namely that of the piston being adiabatic when it is fixed but no longer so when it can move freely. It is shown that this apparent contradiction arises from the usual definition of adiabatic condition. The issue is addressed here by requiring the adiabatic condition to be…

  11. Hierarchical theory of quantum adiabatic evolution

    NASA Astrophysics Data System (ADS)

    Zhang, Qi; Gong, Jiangbin; Wu, Biao

    2014-12-01

    Quantum adiabatic evolution is a dynamical evolution of a quantum system under slow external driving. According to the quantum adiabatic theorem, no transitions occur between nondegenerate instantaneous energy eigenstates in such a dynamical evolution. However, this is true only when the driving rate is infinitesimally small. For a small nonzero driving rate, there are generally small transition probabilities between the energy eigenstates. We develop a classical mechanics framework to address the small deviations from the quantum adiabatic theorem order by order. A hierarchy of Hamiltonians is constructed iteratively with the zeroth-order Hamiltonian being determined by the original system Hamiltonian. The kth-order deviations are governed by a kth-order Hamiltonian, which depends on the time derivatives of the adiabatic parameters up to the kth-order. Two simple examples, the Landau-Zener model and a spin-1/2 particle in a rotating magnetic field, are used to illustrate our hierarchical theory. Our analysis also exposes a deep, previously unknown connection between classical adiabatic theory and quantum adiabatic theory.

  12. Laboratory Measurements of Adiabatic and Isothermal Processes

    NASA Astrophysics Data System (ADS)

    McNairy, W. W.

    1997-04-01

    Adiabatic and isothermal measurements on various of gases are made possible by using the Adiabatic Gas Law apparatus made by PASCO Scientific(Much of this work was published by the author in "The Physics Teacher", vol. 34, March 1996, p. 178-80.). By using a computer interface, undergraduates are able to data for monatomic, diatomic and polyatomic gases for both compression and expansion processes. Designed principally to obtain adiabatic data, the apparatus may be easily modified for use in isothermal processes. The various sets of data are imported into a spreadsheet program where fits may be made to the ideal gas law and the adiabatic gas law. Excellent results are obtained for the natural logarithm of pressure versus the natural logarithm of volume for both the isothermal data (expected slope equal to -1 in all cases) and the adiabatic data (slope equal to -1 times the ratio of specific heats for the particular gas). An overview of the lab procedure used at VMI will be presented along with data obtained for several adiabatic and isothermal processes.

  13. Vertical and adiabatic electronic excitations in biphenylene: A theoretical study

    NASA Astrophysics Data System (ADS)

    Beck, M. E.; Rebentisch, R.; Hohlneicher, G.; Fülscher, M. P.; Serrano-Andrés, L.; Roos, B. O.

    1997-12-01

    The low-lying singlet states of biphenylene have been studied using ab initio methods. Vertical excitation energies were calculated by multiconfigurational perturbation theory (CASPT2), starting from a complete active space self-consistent field (CASSCF) reference. The geometries of the most important low-lying excited states were individually optimized at the CASSCF level to study the difference between vertical and adiabatic excitations. Extended atomic natural orbital (ANO)-type basis sets were used to calculate state energies. Geometry optimizations were done with smaller ANO-type basis sets. Excitations from the ground state to the 1 1B3g and 1 1B2u excited singlet states lead to pronounced geometry changes which alter the bond alternation pattern. The theoretical results provide a solid basis for the assignment and interpretation of experimental spectra.

  14. Robust entanglement via optomechanical dark mode: adiabatic scheme

    NASA Astrophysics Data System (ADS)

    Tian, Lin; Wang, Ying-Dan; Huang, Sumei; Clerk, Aashish

    2013-03-01

    Entanglement is a powerful resource for studying quantum effects in macroscopic objects and for quantum information processing. Here, we show that robust entanglement between cavity modes with distinct frequencies can be generated via a mechanical dark mode in an optomechanical quantum interface. Due to quantum interference, the effect of the mechanical noise is cancelled in a way that is similar to the electromagnetically induced transparency. We derive the entanglement in the strong coupling regime by solving the quantum Langevin equation using a perturbation theory approach. The entanglement in the adiabatic scheme is then compared with the entanglement in the stationary state scheme. Given the robust entanglement schemes and our previous schemes on quantum wave length conversion, the optomechanical interface hence forms an effective building block for a quantum network. This work is supported by DARPA-ORCHID program, NSF-DMR-0956064, NSF-CCF-0916303, and NSF-COINS.

  15. Perturbation-induced dynamics of dark solitons

    NASA Astrophysics Data System (ADS)

    Kivshar, Yuri S.; Yang, Xiaoping

    1994-02-01

    We study analytically and numerically the effect of perturbations on (spatial and temporal) dark optical solitons. Our purpose is to elaborate a general analytical approach to describe the dynamics of dark solitons in the presence of physically important effects which break integrability of the primary nonlinear Schrödinger equation. We show that the corresponding perturbation theory differs for the cases of constant and varying backgrounds which support the dark solitons. We present a general formalism describing the perturbation-induced dynamics for both cases and also analyze the influence of several physically important effects, such as linear and two-photon absorption, Raman self-induced scattering, gain with saturation, on the propagation of the dark soliton. As we show, the perturbation-induced dynamics of a dark soliton may be treated as a result of the combined effect of the background evolution and internal soliton dynamics, the latter being characterized by the soliton phase angle. A similar approach is applied to the problem of the dark-soliton propagation on a finite-width background. We analyze adiabatic modification of a dark pulse propagating on a dispersively spreading finite-width background, and we prove analytically that a frequency chirp of the background does not affect the soliton motion. As a matter of fact, the results obtained describe the perturbation-induced dynamics of dark solitons in the so-called adiabatic approximation and, as we show for all the cases analyzed, they are in excellent agreement with direct numerical simulations of the corresponding perturbed nonlinear Schrödinger equation, provided the effects produced by the emitted radiation are small.

  16. Relativistic blast waves in two dimensions. I - The adiabatic case

    NASA Technical Reports Server (NTRS)

    Shapiro, P. R.

    1979-01-01

    Approximate solutions are presented for the dynamical evolution of strong adiabatic relativistic blast waves which result from a point explosion in an ambient gas in which the density varies both with distance from the explosion center and with polar angle in axisymmetry. Solutions are analytical or quasi-analytical for the extreme relativistic case and numerical for the arbitrarily relativistic case. Some general properties of nonplanar relativistic shocks are also discussed, including the incoherence of spherical ultrarelativistic blast-wave fronts on angular scales greater than the reciprocal of the shock Lorentz factor, as well as the conditions for producing blast-wave acceleration.

  17. Perturbation theory in thermosphere dynamics

    NASA Technical Reports Server (NTRS)

    Mayr, H. G.; Volland, H.

    1976-01-01

    It is shown that density and pressure throughout the thermosphere can be adequately described in a logarithmic expansion that provides a sound basis for the application of perturbation theory. This expansion eliminates most of the important nonlinearities associated with density variations. On the basis of this expansion, the validity of perturbation theory can be extended to cover a large variety of atmospheric conditions in which the relative temperature amplitude is less than 0.5 and wind velocities are significantly less than the speed of sound.

  18. Assessment of total efficiency in adiabatic engines

    NASA Astrophysics Data System (ADS)

    Mitianiec, W.

    2016-09-01

    The paper presents influence of ceramic coating in all surfaces of the combustion chamber of SI four-stroke engine on working parameters mainly on heat balance and total efficiency. Three cases of engine were considered: standard without ceramic coating, fully adiabatic combustion chamber and engine with different thickness of ceramic coating. Consideration of adiabatic or semi-adiabatic engine was connected with mathematical modelling of heat transfer from the cylinder gas to the cooling medium. This model takes into account changeable convection coefficient based on the experimental formulas of Woschni, heat conductivity of multi-layer walls and also small effect of radiation in SI engines. The simulation model was elaborated with full heat transfer to the cooling medium and unsteady gas flow in the engine intake and exhaust systems. The computer program taking into account 0D model of engine processes in the cylinder and 1D model of gas flow was elaborated for determination of many basic engine thermodynamic parameters for Suzuki DR-Z400S 400 cc SI engine. The paper presents calculation results of influence of the ceramic coating thickness on indicated pressure, specific fuel consumption, cooling and exhaust heat losses. Next it were presented comparisons of effective power, heat losses in the cooling and exhaust systems, total efficiency in function of engine rotational speed and also comparison of temperature inside the cylinder for standard, semi-adiabatic and full adiabatic engine. On the basis of the achieved results it was found higher total efficiency of adiabatic engines at 2500 rpm from 27% for standard engine to 37% for full adiabatic engine.

  19. Graph isomorphism and adiabatic quantum computing

    NASA Astrophysics Data System (ADS)

    Gaitan, Frank; Clark, Lane

    2014-02-01

    In the graph isomorphism (GI) problem two N-vertex graphs G and G' are given and the task is to determine whether there exists a permutation of the vertices of G that preserves adjacency and transforms G →G'. If yes, then G and G' are said to be isomorphic; otherwise they are nonisomorphic. The GI problem is an important problem in computer science and is thought to be of comparable difficulty to integer factorization. In this paper we present a quantum algorithm that solves arbitrary instances of GI and which also provides an approach to determining all automorphisms of a given graph. We show how the GI problem can be converted to a combinatorial optimization problem that can be solved using adiabatic quantum evolution. We numerically simulate the algorithm's quantum dynamics and show that it correctly (i) distinguishes nonisomorphic graphs; (ii) recognizes isomorphic graphs and determines the permutation(s) that connect them; and (iii) finds the automorphism group of a given graph G. We then discuss the GI quantum algorithm's experimental implementation, and close by showing how it can be leveraged to give a quantum algorithm that solves arbitrary instances of the NP-complete subgraph isomorphism problem. The computational complexity of an adiabatic quantum algorithm is largely determined by the minimum energy gap Δ (N) separating the ground and first-excited states in the limit of large problem size N ≫1. Calculating Δ (N) in this limit is a fundamental open problem in adiabatic quantum computing, and so it is not possible to determine the computational complexity of adiabatic quantum algorithms in general, nor consequently, of the specific adiabatic quantum algorithms presented here. Adiabatic quantum computing has been shown to be equivalent to the circuit model of quantum computing, and so development of adiabatic quantum algorithms continues to be of great interest.

  20. Impact of ion cloud densities on the measurement of relative ion abundances in Fourier transform ion cyclotron resonance mass spectrometry: experimental observations of coulombically induced cyclotron radius perturbations and ion cloud dephasing rates.

    PubMed

    Gordon, E F; Muddiman, D C

    2001-02-01

    Fundamental research into the quantitative properties of Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) has yielded interesting observations, especially in terms of factors affecting the accuracy of relative ion abundances. However, most of the previous discussions have focused on theoretical systems, or systems of limited scope. In this paper, we document ion motion attributes of a 30 spectra (six samples, five replicates each) system previously established as linear over two orders of magnitude. Observed behaviors include the perturbation of one charged species (cyclosporin A, CsA) of low ion density to a cyclotron orbit of greater radius than that of an almost identical, but slightly mass-separated species (CsG) with a higher ion density. This radial perturbation is attributed to the coulombic repulsion between the two ion clouds as they interact during the excitation process, as previously proposed by Uechi and Dunbar. Magnitudes of the perturbation were confirmed by making cyclotron radii determinations utilizing the ratio of the third-to-first harmonics for the charged species of interest. It was found that these radial differences can account for as much as a 55% signal bias in favor of CsA for a single sample and a >20% positive bias in the slope of the regressed data set. A second behavior noted that also contributes to the potential inaccuracy of relative ion abundance measurements is the difference in signal decay rates for CsA and CsG. Damping constants and initial time domain signal amplitudes were evaluated using segmented Fourier transforms. Discrepancies in decay rates were not expected from two species that have essentially identical collisional cross-sections. However, it has been observed that the faster decay rates are observed by the species of lower ion cloud density. We have attributed this differential signal decay phenomenon to the rates of loss of phase coherence for the two ion clouds. Previously, others have

  1. Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

    PubMed Central

    Zhang, Ying; Xu, Xin; Goddard, William A.

    2009-01-01

    We develop and validate a density functional, XYG3, based on the adiabatic connection formalism and the Görling–Levy coupling-constant perturbation expansion to the second order (PT2). XYG3 is a doubly hybrid functional, containing 3 mixing parameters. It has a nonlocal orbital-dependent component in the exchange term (exact exchange) plus information about the unoccupied Kohn–Sham orbitals in the correlation part (PT2 double excitation). XYG3 is remarkably accurate for thermochemistry, reaction barrier heights, and nonbond interactions of main group molecules. In addition, the accuracy remains nearly constant with system size. PMID:19276116

  2. Accurate adiabatic correction in the hydrogen molecule

    NASA Astrophysics Data System (ADS)

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-01

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10-12 at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10-7 cm-1, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.

  3. Accurate adiabatic correction in the hydrogen molecule

    SciTech Connect

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-14

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10{sup −12} at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H{sub 2}, HD, HT, D{sub 2}, DT, and T{sub 2} has been determined. For the ground state of H{sub 2} the estimated precision is 3 × 10{sup −7} cm{sup −1}, which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels.

  4. Accurate adiabatic correction in the hydrogen molecule.

    PubMed

    Pachucki, Krzysztof; Komasa, Jacek

    2014-12-14

    A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of 10(-12) at an arbitrary internuclear distance. Such calculations have been performed for 88 internuclear distances in the range of 0 < R ⩽ 12 bohrs to construct the adiabatic correction potential and to solve the nuclear Schrödinger equation. Finally, the adiabatic correction to the dissociation energies of all rovibrational levels in H2, HD, HT, D2, DT, and T2 has been determined. For the ground state of H2 the estimated precision is 3 × 10(-7) cm(-1), which is almost three orders of magnitude higher than that of the best previous result. The achieved accuracy removes the adiabatic contribution from the overall error budget of the present day theoretical predictions for the rovibrational levels. PMID:25494728

  5. Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd.

    PubMed

    Hill, J Grant

    2013-09-30

    Auxiliary basis sets (ABS) specifically matched to the cc-pwCVnZ-PP and aug-cc-pwCVnZ-PP orbital basis sets (OBS) have been developed and optimized for the 4d elements Y-Pd at the second-order Møller-Plesset perturbation theory level. Calculation of the core-valence electron correlation energies for small to medium sized transition metal complexes demonstrates that the error due to the use of these new sets in density fitting is three to four orders of magnitude smaller than that due to the OBS incompleteness, and hence is considered negligible. Utilizing the ABSs in the resolution-of-the-identity component of explicitly correlated calculations is also investigated, where it is shown that i-type functions are important to produce well-controlled errors in both integrals and correlation energy. Benchmarking at the explicitly correlated coupled cluster with single, double, and perturbative triple excitations level indicates impressive convergence with respect to basis set size for the spectroscopic constants of 4d monofluorides; explicitly correlated double-ζ calculations produce results close to conventional quadruple-ζ, and triple-ζ is within chemical accuracy of the complete basis set limit.

  6. Causal compensated perturbations in cosmology

    NASA Technical Reports Server (NTRS)

    Veeraraghavan, Shoba; Stebbins, Albert

    1990-01-01

    A theoretical framework is developed to calculate linear perturbations in the gravitational and matter fields which arise causally in response to the presence of stiff matter sources in a FRW cosmology. It is shown that, in order to satisfy energy and momentum conservation, the gravitational fields of the source must be compensated by perturbations in the matter and gravitational fields, and the role of such compensation in containing the initial inhomogeneities in their subsequent evolution is discussed. A complete formal solution is derived in terms of Green functions for the perturbations produced by an arbitrary source in a flat universe containing cold dark matter. Approximate Green function solutions are derived for the late-time density perturbations and late-time gravitational waves in a universe containing a radiation fluid. A cosmological energy-momentum pseudotensor is defined to clarify the nature of energy and momentum conservation in the expanding universe.

  7. Spin orientations of the spin-half Ir(4+) ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses.

    PubMed

    Gordon, Elijah E; Xiang, Hongjun; Köhler, Jürgen; Whangbo, Myung-Hwan

    2016-03-21

    The spins of the low-spin Ir(4+) (S = 1/2, d(5)) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4, and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of density functional theory (DFT) calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3, both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir(4+) spin orientation of Na2IrO3 should have nonzero components along the c- and a-axis directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir(4+) ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir(4+) ions are less negative in Na2IrO3 than in Sr3NiIrO6 and Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. The spin-orbital entanglement for the 5d spin-half ions Ir(4+) is not as strong as has been assumed.

  8. Energy efficiency of adiabatic superconductor logic

    NASA Astrophysics Data System (ADS)

    Takeuchi, Naoki; Yamanashi, Yuki; Yoshikawa, Nobuyuki

    2015-01-01

    Adiabatic superconductor logic (ASL), including adiabatic quantum-flux-parametron (AQFP) logic, exhibits high energy efficiency because its bit energy can be decreased below the thermal energy through adiabatic switching operations. In the present paper, we present the general scaling laws of ASL and compare the energy efficiency of ASL with those of other energy-efficient logics. Also, we discuss the minimum energy-delay product (EDP) of ASL at finite temperature. Our study shows that there is a maximum temperature at which the EDP can reach the quantum limit given by ħ/2, which is dependent on the superconductor material and the Josephson junction quality, and that it is reasonable to operate ASL at cryogenic temperatures in order to achieve an EDP that approaches ħ/2.

  9. Adiabaticity and viscosity in deep mantle convection

    NASA Technical Reports Server (NTRS)

    Quareni, F.; Yuen, D. A.; Saari, M. R.

    1986-01-01

    A study has been conducted of steady convection with adiabatic and viscous heating for variable viscosity in the Boussinesq limit using the mean-field theory. A strong nonlinear coupling is found between the thermodynamic constants governing adiabatic heating and the rheological parameters. The range of rheological values for which adiabaticity would occur throughout the mantle has been established. Too large an activation volume, greater than 6 cu cm/mol for the cases examined, would produce unreasonably high temperature at the bottom of the mantle (greater than 6000 K) and superadiabatic gradients, especially in the lower mantle. Radiogenic heating plays a profound role in controlling dynamically mantle temperatures. Present values for the averaged mantle heat production would yield objectionably high temperatures in the lower mantle.

  10. FRW-type cosmologies with adiabatic matter creation

    NASA Astrophysics Data System (ADS)

    Lima, J. A. S.; Germano, A. S. M.; Abramo, L. R. W.

    1996-04-01

    Some properties of cosmological models with matter creation are investigated in the framework of the Friedmann-Robertson-Walker line element. For adiabatic matter creation, as developed by Prigogine and co-workers, we derive a simple expression relating the particle number density n and energy density ρ which holds regardless of the matter creation rate. The conditions to generate inflation are discussed and by considering the natural phenomenological matter creation rate ψ=3βnH, where β is a pure number of the order of unity and H is the Hubble parameter, a minimally modified hot big-bang model is proposed. The dynamic properties of such models can be deduced from the standard ones simply by replacing the adiabatic index γ of the equation of state by an effective parameter γ*=γ(1-β). The thermodynamic behavior is determined and it is also shown that ages large enough to agree with observations are obtained even given the high values of H suggested by recent measurements.

  11. Perturbative QUANTUM GRAVITY

    NASA Astrophysics Data System (ADS)

    't Hooft, Gerard

    2003-12-01

    A good understanding of Perturbative Quantum Gravity is essential for anyone who wishes to proceed towards any kind of non-perturbative approach. This lecture is a brief resumé of the main features of the perturbative regime.

  12. Anisotropic perturbations due to dark energy

    NASA Astrophysics Data System (ADS)

    Battye, Richard A.; Moss, Adam

    2006-08-01

    A variety of observational tests seem to suggest that the Universe is anisotropic. This is incompatible with the standard dogma based on adiabatic, rotationally invariant perturbations. We point out that this is a consequence of the standard decomposition of the stress-energy tensor for the cosmological fluids, and that rotational invariance need not be assumed, if there is elastic rigidity in the dark energy. The dark energy required to achieve this might be provided by point symmetric domain wall network with P/ρ=-2/3, although the concept is more general. We illustrate this with reference to a model with cubic symmetry and discuss various aspects of the model.

  13. Normal co-ordinate analysis, molecular structural, non-linear optical, second order perturbation studies of Tizanidine by density functional theory.

    PubMed

    Sheela, N R; Muthu, S; Sampathkrishnan, S; Al-Saadi, Abdulaziz A

    2015-03-15

    The spectroscopic techniques and semi-empirical molecular calculations have been utilized to analyze the drug Tizanidine (5CDIBTA). The solid phase Fourier Transform Infrared (FTIR) and Fourier Transform Raman (FTR) spectral analysis of 5CDIBTA is carried out along with density functional theory (DFT) calculations (B3LYP) with the 6-311++G(d,p) basis set. Detailed interpretation of the vibrational spectra of the compound has been made on the basis of the calculated potential energy distribution (PED). The individual atomic charges by NPA using B3LYP method is studied. A study on the Mulliken atomic charges, frontier molecular orbitals (HOMO-LUMO), molecular electrostatic potential (MEP) and thermodynamic properties were performed. The electric dipole moment (μ) and the first hyperpolarizability (α) values of the investigated molecule were also computed.

  14. Normal co-ordinate analysis, molecular structural, non-linear optical, second order perturbation studies of Tizanidine by density functional theory

    NASA Astrophysics Data System (ADS)

    Sheela, N. R.; Muthu, S.; Sampathkrishnan, S.; Al-Saadi, Abdulaziz A.

    2015-03-01

    The spectroscopic techniques and semi-empirical molecular calculations have been utilized to analyze the drug Tizanidine (5CDIBTA). The solid phase Fourier Transform Infrared (FTIR) and Fourier Transform Raman (FTR) spectral analysis of 5CDIBTA is carried out along with density functional theory (DFT) calculations (B3LYP) with the 6-311++G(d,p) basis set. Detailed interpretation of the vibrational spectra of the compound has been made on the basis of the calculated potential energy distribution (PED). The individual atomic charges by NPA using B3LYP method is studied. A study on the Mulliken atomic charges, frontier molecular orbitals (HOMO-LUMO), molecular electrostatic potential (MEP) and thermodynamic properties were performed. The electric dipole moment (μ) and the first hyperpolarizability (α) values of the investigated molecule were also computed.

  15. Changes in the High-Latitude Topside Ionospheric Vertical Electron-Density Profiles in Response to Solar-Wind Perturbations During Large Magnetic Storms

    NASA Technical Reports Server (NTRS)

    Benson, Robert F.; Fainberg, Joseph; Osherovich, Vladimir; Truhlik, Vladimir; Wang, Yongli; Arbacher, Becca

    2011-01-01

    The latest results from an investigation to establish links between solar-wind and topside-ionospheric parameters will be presented including a case where high-latitude topside electron-density Ne(h) profiles indicated dramatic rapid changes in the scale height during the main phase of a large magnetic storm (Dst < -200 nT). These scale-height changes suggest a large heat input to the topside ionosphere at this time. The topside profiles were derived from ISIS-1 digital ionograms obtained from the NASA Space Physics Data Facility (SPDF) Coordinated Data Analysis Web (CDA Web). Solar-wind data obtained from the NASA OMNIWeb database indicated that the magnetic storm was due to a magnetic cloud. This event is one of several large magnetic storms being investigated during the interval from 1965 to 1984 when both solar-wind and digital topside ionograms, from either Alouette-2, ISIS-1, or ISIS-2, are potentially available.

  16. 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.

  17. 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.

  18. Cosmological perturbations: Vorticity, isocurvature and magnetic fields

    NASA Astrophysics Data System (ADS)

    Christopherson, Adam J.

    2014-10-01

    In this paper, I review some recent, interlinked, work undertaken using cosmological perturbation theory — a powerful technique for modeling inhomogeneities in the universe. The common theme which underpins these pieces of work is the presence of nonadiabatic pressure, or entropy, perturbations. After a brief introduction covering the standard techniques of describing inhomogeneities in both Newtonian and relativistic cosmology, I discuss the generation of vorticity. As in classical fluid mechanics, vorticity is not present in linearized perturbation theory (unless included as an initial condition). Allowing for entropy perturbations, and working to second order in perturbation theory, I show that vorticity is generated, even in the absence of vector perturbations, by purely scalar perturbations, the source term being quadratic in the gradients of first order energy density and isocurvature, or nonadiabatic pressure perturbations. This generalizes Crocco's theorem to a cosmological setting. I then introduce isocurvature perturbations in different models, focusing on the entropy perturbation in standard, concordance cosmology, and in inflationary models involving two scalar fields. As the final topic, I investigate magnetic fields, which are a potential observational consequence of vorticity in the early universe. I briefly review some recent work on including magnetic fields in perturbation theory in a consistent way. I show, using solely analytical techniques, that magnetic fields can be generated by higher order perturbations, albeit too small to provide the entire primordial seed field, in agreement with some numerical studies. I close this paper with a summary and some potential extensions of this work.

  19. Baryons do trace dark matter 380,000 years after the big bang: Search for compensated isocurvature perturbations with WMAP 9-year data

    NASA Astrophysics Data System (ADS)

    Grin, Daniel; Hanson, Duncan; Holder, Gilbert P.; Doré, Olivier; Kamionkowski, Marc

    2014-01-01

    Primordial isocurvature fluctuations between photons and either neutrinos or nonrelativistic species such as baryons or dark matter are known to be subdominant to adiabatic fluctuations. Perturbations in the relative densities of baryons and dark matter (known as compensated isocurvature perturbations or CIPs), however, are surprisingly poorly constrained. CIPs leave no imprint in the cosmic microwave background (CMB) on observable scales, at least at linear order in their amplitude and zeroth order in the amplitude of adiabatic perturbations. It is thus not yet empirically known if baryons trace dark matter at the surface of last scattering. If CIPs exist, they would spatially modulate the Silk damping scale and acoustic horizon, causing distinct fluctuations in the CMB temperature/polarization power spectra across the sky: this effect is first order in both the CIP and adiabatic mode amplitudes. Here, temperature data from the Wilkinson Microwave Anisotropy Probe (WMAP) are used to conduct the first CMB-based observational search for CIPs, using off-diagonal correlations and the CMB trispectrum. Reconstruction noise from weak lensing and point sources is shown to be negligible for this data set. No evidence for CIPs is observed, and a 95% confidence upper limit of 1.1×10-2 is imposed to the amplitude of a scale-invariant CIP power spectrum. This limit agrees with CIP sensitivity forecasts for WMAP and is competitive with smaller-scale constraints from measurements of the baryon fraction in galaxy clusters. It is shown that the root-mean-squared CIP amplitude on 5-100° scales is smaller than ˜0.07-0.17 (depending on the scale) at the 95% confidence level. Temperature data from the Planck satellite will provide an even more sensitive probe for the existence of CIPs, as will the upcoming ACTPol and SPTPol experiments on smaller angular scales.

  20. Non-equilibrium scale invariance and shortcuts to adiabaticity in a one-dimensional Bose gas

    PubMed Central

    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

  1. Non-equilibrium scale invariance and shortcuts to adiabaticity in a one-dimensional Bose gas

    NASA Astrophysics Data System (ADS)

    Rohringer, W.; Fischer, D.; Steiner, F.; Mazets, I. E.; Schmiedmayer, J.; Trupke, M.

    2015-04-01

    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.

  2. Non-equilibrium scale invariance and shortcuts to adiabaticity in a one-dimensional Bose gas.

    PubMed

    Rohringer, W; Fischer, D; Steiner, F; Mazets, I E; Schmiedmayer, J; Trupke, M

    2015-04-13

    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.

  3. Pfaffian statistics through adiabatic transport in the 1D coherent state representation.

    PubMed

    Seidel, Alexander

    2008-11-01

    Recent work has shown that the low energy sector of certain quantum Hall states is adiabatically connected to simple charge-density-wave patterns that appear, e.g., when the system is deformed into a thin torus. Here it is shown that the patterns emerging in this limit already determine the non-Abelian statistics of the nu=1 Moore-Read state. Aside from the knowledge of these patterns, the method only relies on the principle of adiabatic continuity, the effectively noncommutative geometry in a strong magnetic field, and topological as well as locality arguments.

  4. Covariant generalization of cosmological perturbation theory

    SciTech Connect

    Enqvist, Kari; Hoegdahl, Janne; Nurmi, Sami; Vernizzi, Filippo

    2007-01-15

    We present an approach to cosmological perturbations based on a covariant perturbative expansion between two worldlines in the real inhomogeneous universe. As an application, at an arbitrary order we define an exact scalar quantity which describes the inhomogeneities in the number of e-folds on uniform density hypersurfaces and which is conserved on all scales for a barotropic ideal fluid. We derive a compact form for its conservation equation at all orders and assign it a simple physical interpretation. To make a comparison with the standard perturbation theory, we develop a method to construct gauge-invariant quantities in a coordinate system at arbitrary order, which we apply to derive the form of the nth order perturbation in the number of e-folds on uniform density hypersurfaces and its exact evolution equation. On large scales, this provides the gauge-invariant expression for the curvature perturbation on uniform density hypersurfaces and its evolution equation at any order.

  5. Local perturbations perturb—exponentially-locally

    NASA Astrophysics Data System (ADS)

    De Roeck, W.; Schütz, M.

    2015-06-01

    We elaborate on the principle that for gapped quantum spin systems with local interaction, "local perturbations [in the Hamiltonian] perturb locally [the groundstate]." This principle was established by Bachmann et al. [Commun. Math. Phys. 309, 835-871 (2012)], relying on the "spectral flow technique" or "quasi-adiabatic continuation" [M. B. Hastings, Phys. Rev. B 69, 104431 (2004)] to obtain locality estimates with sub-exponential decay in the distance to the spatial support of the perturbation. We use ideas of Hamza et al. [J. Math. Phys. 50, 095213 (2009)] to obtain similarly a transformation between gapped eigenvectors and their perturbations that is local with exponential decay. This allows to improve locality bounds on the effect of perturbations on the low lying states in certain gapped models with a unique "bulk ground state" or "topological quantum order." We also give some estimate on the exponential decay of correlations in models with impurities where some relevant correlations decay faster than one would naively infer from the global gap of the system, as one also expects in disordered systems with a localized groundstate.

  6. Adiabatic and diabatic invariants in ion-molecule reactions.

    PubMed

    Lorquet, J C

    2009-12-28

    A point charge interacting with a dipole (either induced or permanent) constitutes a completely integrable dynamical subsystem characterized by three first integrals of the motion (E, p(phi), and either l(2) or a Hamilton-Jacobi separation constant beta). An ion-molecule reaction (capture or fragmentation) can be seen as an interaction between such a subsystem and a bath of oscillators. This interaction is a perturbation that destroys some of the first integrals. However, the perturbation depends on the separation between the fragments and the destruction is gradual. The mathematical simplicity of the long-range electrostatic interaction potential leads to useful simplifications. A first-order perturbation treatment based on the structured and regular nature of the multipole expansion is presented. The separating integrals valid in the asymptotic limit are found to subsist at intermediate distances, although in a weaker form. As the reaction coordinate decreases, i.e., as the fragments approach, the asymptotic range is followed by an outer region where (i) the azimuthal momentum p(phi) remains a constant of the motion; (ii) the square angular momentum l(2) or the separation constant beta transform into a diabatic invariant in regions of phase space characterized by a high value of the translational momentum p(r); (iii) for low values of p(r), it is advantageous to use the action integral contour integral(p(theta)d theta), which is an adiabatic invariant. The conditions under which an effective potential obtained by adding centrifugal repulsion to an electrostatic attractive term can be validly constructed are specified. In short, the dynamics of ion-molecule interactions is still regular in parts of phase space corresponding to a range of the reaction coordinate where the interaction potential deviates from its asymptotic shape. PMID:20059072

  7. Towards fault tolerant adiabatic quantum computation.

    PubMed

    Lidar, Daniel A

    2008-04-25

    I show how to protect adiabatic quantum computation (AQC) against decoherence and certain control errors, using a hybrid methodology involving dynamical decoupling, subsystem and stabilizer codes, and energy gaps. Corresponding error bounds are derived. As an example, I show how to perform decoherence-protected AQC against local noise using at most two-body interactions.

  8. Dynamical aspects of an adiabatic piston.

    PubMed

    Munakata, T; Ogawa, H

    2001-09-01

    Dynamical aspects of an adiabatic piston are investigated, based on the mass ratio expansion of the master equation for the piston velocity distribution function. Simple theory for piston motion and relaxation of an ideal gas in a cylinder turns out to reproduce our numerical experiments quantitatively.

  9. Adiabatic reversible compression: a molecular view

    NASA Astrophysics Data System (ADS)

    Miranda, E. N.

    2002-07-01

    The adiabatic compression (or expansion) of an ideal gas has been analysed. Using the kinetic theory of gases the usual relation between temperature and volume is obtained, while textbooks follow a thermodynamic approach. In this way we show, once again, the agreement between a macroscopic view (thermodynamics) and a microscopic one (kinetic theory).

  10. Dynamical aspects of an adiabatic piston

    NASA Astrophysics Data System (ADS)

    Munakata, Toyonori; Ogawa, Hideki

    2001-09-01

    Dynamical aspects of an adiabatic piston are investigated, based on the mass ratio expansion of the master equation for the piston velocity distribution function. Simple theory for piston motion and relaxation of an ideal gas in a cylinder turns out to reproduce our numerical experiments quantitatively.

  11. Adiabatic Compression in a Fire Syringe.

    ERIC Educational Resources Information Center

    Hayn, Carl H.; Baird, Scott C.

    1985-01-01

    Suggests using better materials in fire syringes to obtain more effective results during demonstrations which show the elevation in temperature upon a very rapid (adiabatic) compression of air. Also describes an experiment (using ignition temperatures) which introduces students to the use of thermocouples for high temperature measurements. (DH)

  12. Apparatus to Measure Adiabatic and Isothermal Processes.

    ERIC Educational Resources Information Center

    Lamb, D. W.; White, G. M.

    1996-01-01

    Describes a simple manual apparatus designed to serve as an effective demonstration of the differences between isothermal and adiabatic processes for the general or elementary physics student. Enables students to verify Boyle's law for slow processes and identify the departure from this law for rapid processes and can also be used to give a clear…

  13. Lensing bias to CMB measurements of compensated isocurvature perturbations

    NASA Astrophysics Data System (ADS)

    Heinrich, Chen He; Grin, Daniel; Hu, Wayne

    2016-08-01

    Compensated isocurvature perturbations (CIPs) are modes in which the baryon and dark matter density fluctuations cancel. They arise in the curvaton scenario as well as some models of baryogenesis. While they leave no observable effects on the cosmic microwave background (CMB) at linear order, they do spatially modulate two-point CMB statistics and can be reconstructed in a manner similar to gravitational lensing. Due to the similarity between the effects of CMB lensing and CIPs, lensing contributes nearly Gaussian random noise to the CIP estimator that approximately doubles the reconstruction noise power. Additionally, the cross correlation between lensing and the integrated Sachs-Wolfe effect generates a correlation between the CIP estimator and the temperature field even in the absence of a correlated CIP signal. For cosmic-variance limited temperature measurements out to multipoles l ≤2500 , subtracting a fixed lensing bias degrades the detection threshold for CIPs by a factor of 1.3, whether or not they are correlated with the adiabatic mode.

  14. Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics

    NASA Astrophysics Data System (ADS)

    Albert, Julian; Kaiser, Dustin; Engel, Volker

    2016-05-01

    Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.

  15. Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics.

    PubMed

    Albert, Julian; Kaiser, Dustin; Engel, Volker

    2016-05-01

    Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.

  16. Adiabatic burst evaporation from bicontinuous nanoporous membranes

    PubMed Central

    Ichilmann, Sachar; Rücker, Kerstin; Haase, Markus; Enke, Dirk

    2015-01-01

    Evaporation of volatile liquids from nanoporous media with bicontinuous morphology and pore diameters of a few 10 nm is an ubiquitous process. For example, such drying processes occur during syntheses of nanoporous materials by sol–gel chemistry or by spinodal decomposition in the presence of solvents as well as during solution impregnation of nanoporous hosts with functional guests. It is commonly assumed that drying is endothermic and driven by non-equilibrium partial pressures of the evaporating species in the gas phase. We show that nearly half of the liquid evaporates in an adiabatic mode involving burst-like liquid-to-gas conversions. During single adiabatic burst evaporation events liquid volumes of up to 107 μm3 are converted to gas. The adiabatic liquid-to-gas conversions occur if air invasion fronts get unstable because of the built-up of high capillary pressures. Adiabatic evaporation bursts propagate avalanche-like through the nanopore systems until the air invasion fronts have reached new stable configurations. Adiabatic cavitation bursts thus compete with Haines jumps involving air invasion front relaxation by local liquid flow without enhanced mass transport out of the nanoporous medium and prevail if the mean pore diameter is in the range of a few 10 nm. The results reported here may help optimize membrane preparation via solvent-based approaches, solution-loading of nanopore systems with guest materials as well as routine use of nanoporous membranes with bicontinuous morphology and may contribute to better understanding of adsorption/desorption processes in nanoporous media. PMID:25926406

  17. Density functional, single and multireference perturbation theory study of the reaction 3ΣgO2+HOCH2CH2ṡ→ HOOṡ+HOCH=CH2, modeling an important step in tropospheric benzene oxidation

    NASA Astrophysics Data System (ADS)

    Ghigo, Giovanni; Tonachini, Glauco

    1999-04-01

    The one-step transformation of hydroxycyclohexadienyl radical into phenol by O2 is modeled by the title hydrogen-abstraction reaction, which converts the simplest β-hydroxy radical to an enol. The reaction is studied by different quantum-mechanical methods, to assess which level of theory is simultaneously reliable and affordable enough to investigate relatively large aromatic systems. Density functional theory (DFT(B3LYP)), unrestricted Mo/ller-Plesset perturbation theory to the 2nd order (UMP2), and complete active space multiconfiguration self-consistent field (CAS-MCSCF) optimizations are first carried out to determine stable and transition structures. Then, more accurate energetics are determined by spin-projected single-reference PMP4//UMP2 calculations (which are compared with coupled cluster CCSD(T)//UMP2 results), and by two multireference second-order perturbation methods (MR-PT2), based on CAS-MCSCF wave functions and structures. With an (11,9) active space and the 6-311G (d,p) basis set, the MR-PT2 estimates for the energy barrier and reaction energy are: 14.5 and -12.1 kcal mol-1 (CAS-PT2), and 8.3 and -13.4 kcal mol-1 (MC-QDPT2). These estimates fall between the DFT(B3LYP)/6-311G (d,p) (3.3 and -19.1 kcal mol-1) and PMP4/6-311G (d,p) values (17.2 and -10.7 kcal mol-1). Single-point energy computations using larger basis sets are also discussed. The DFT(B3LYP) method tends to underestimate the barrier for H abstraction; the PMP4 barrier is likely to represent an upper bound, given that the single-reference perturbation expansion does not converge very efficiently. For extensions of the study to aromatics, DFT could be deemed to be an acceptable compromise between reliability and feasibility.

  18. Adiabatic cooling of the artificial Porcupine plasma jet

    NASA Astrophysics Data System (ADS)

    Ruizhin, Iu. Ia.; Treumann, R. A.; Bauer, O. H.; Moskalenko, A. M.

    1987-01-01

    Measurements of the plasma density obtained during the interaction of the artificial plasma jet, fired into the ionosphere with the body of the Porcupine main payload, have been analyzed for times when there was a well-developed wake effect. Using wake theory, the maximum temperature of the quasi-neutral xenon ion beam has been determined for an intermediate distance from the ion beam source when the beam has left the diamagnetic region but is still much denser than the ionospheric background plasma. The beam temperature is found to be about 4 times less than the temperature at injection. This observation is very well explained by adiabatic cooling of the beam during its initial diamagnetic and current-buildup phases at distances r smaller than 10 m. Outside this region, the beam conserves the temperature achieved. The observation proves that the artificial plasma jet passes through an initial gas-like diamagnetic phase restricted to the vicinity of the beam source, where it expands adiabatically. Partial cooling also takes place outside the diamagnetic region where the beam current still builds up. The observations also support a recently developed current-closure model of the quasi-neutral ion beam.

  19. High Energy Signatures of POST Adiabatic Supernova Remnants

    NASA Astrophysics Data System (ADS)

    Telezhinsky, Igor; Hnatyk, Bohdan

    Between the well-known adiabatic and radiative stages of the Supernova remnant (SNR) evolution there is, in fact, a transition stage with a duration comparable to the duration of adiabatic one. Physical existence of the transition stage is motivated by cooling of some part of the downstream hot gas with formation of a thin cold shell that is joined to a shell of swept up interstellar medium (ISM). We give an approximate analytical method for full hydrodynamical description of the transition stage. On its base we investigate the evolution of X-ray and γ-ray radiation during this stage. It is shown that formation of a dense shell during the transition stage is accompanied by the decrease of X-ray luminosity because of hot gas cooling and increase of gamma-ray flux according to the increase of target proton density and CR energy in the newly born shell. The role of nonuniformity of ISM and its influence on the high energy fluxes from the SNRs is also discussed.

  20. The recursion relation in Lagrangian perturbation theory

    SciTech Connect

    Rampf, Cornelius

    2012-12-01

    We derive a recursion relation in the framework of Lagrangian perturbation theory, appropriate for studying the inhomogeneities of the large scale structure of the universe. We use the fact that the perturbative expansion of the matter density contrast is in one-to-one correspondence with standard perturbation theory (SPT) at any order. This correspondence has been recently shown to be valid up to fourth order for a non-relativistic, irrotational and dust-like component. Assuming it to be valid at arbitrary (higher) order, we express the Lagrangian displacement field in terms of the perturbative kernels of SPT, which are itself given by their own and well-known recursion relation. We argue that the Lagrangian solution always contains more non-linear information in comparison with the SPT solution, (mainly) if the non-perturbative density contrast is restored after the displacement field is obtained.

  1. Sensitivity of inertial confinement fusion hot spot properties to the deuterium-tritium fuel adiabat

    NASA Astrophysics Data System (ADS)

    Melvin, J.; Lim, H.; Rana, V.; Cheng, B.; Glimm, J.; Sharp, D. H.; Wilson, D. C.

    2015-02-01

    We determine the dependence of key Inertial Confinement Fusion (ICF) hot spot simulation properties on the deuterium-tritium fuel adiabat, here modified by addition of energy to the cold shell. Variation of this parameter reduces the simulation to experiment discrepancy in some, but not all, experimentally inferred quantities. Using simulations with radiation drives tuned to match experimental shots N120321 and N120405 from the National Ignition Campaign (NIC), we carry out sets of simulations with varying amounts of added entropy and examine the sensitivities of important experimental quantities. Neutron yields, burn widths, hot spot densities, and pressures follow a trend approaching their experimentally inferred quantities. Ion temperatures and areal densities are sensitive to the adiabat changes, but do not necessarily converge to their experimental quantities with the added entropy. This suggests that a modification to the simulation adiabat is one of, but not the only explanation of the observed simulation to experiment discrepancies. In addition, we use a theoretical model to predict 3D mix and observe a slight trend toward less mixing as the entropy is enhanced. Instantaneous quantities are assessed at the time of maximum neutron production, determined dynamically within each simulation. These trends contribute to ICF science, as an effort to understand the NIC simulation to experiment discrepancy, and in their relation to the high foot experiments, which features a higher adiabat in the experimental design and an improved neutron yield in the experimental results.

  2. Sensitivity of inertial confinement fusion hot spot properties to the deuterium-tritium fuel adiabat

    SciTech Connect

    Melvin, J.; Lim, H.; Rana, V.; Glimm, J.; Cheng, B.; Sharp, D. H.; Wilson, D. C.

    2015-02-15

    We determine the dependence of key Inertial Confinement Fusion (ICF) hot spot simulation properties on the deuterium-tritium fuel adiabat, here modified by addition of energy to the cold shell. Variation of this parameter reduces the simulation to experiment discrepancy in some, but not all, experimentally inferred quantities. Using simulations with radiation drives tuned to match experimental shots N120321 and N120405 from the National Ignition Campaign (NIC), we carry out sets of simulations with varying amounts of added entropy and examine the sensitivities of important experimental quantities. Neutron yields, burn widths, hot spot densities, and pressures follow a trend approaching their experimentally inferred quantities. Ion temperatures and areal densities are sensitive to the adiabat changes, but do not necessarily converge to their experimental quantities with the added entropy. This suggests that a modification to the simulation adiabat is one of, but not the only explanation of the observed simulation to experiment discrepancies. In addition, we use a theoretical model to predict 3D mix and observe a slight trend toward less mixing as the entropy is enhanced. Instantaneous quantities are assessed at the time of maximum neutron production, determined dynamically within each simulation. These trends contribute to ICF science, as an effort to understand the NIC simulation to experiment discrepancy, and in their relation to the high foot experiments, which features a higher adiabat in the experimental design and an improved neutron yield in the experimental results.

  3. 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.

  4. Adiabatic quantum optimization for associative memory recall

    SciTech Connect

    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.

  5. Adiabatic quantum optimization for associative memory recall

    DOE PAGES

    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

  6. Trapped Ion Quantum Computation by Adiabatic Passage

    SciTech Connect

    Feng Xuni; Wu Chunfeng; Lai, C. H.; Oh, C. H.

    2008-11-07

    We propose a new universal quantum computation scheme for trapped ions in thermal motion via the technique of adiabatic passage, which incorporates the advantages of both the adiabatic passage and the model of trapped ions in thermal motion. Our scheme is immune from the decoherence due to spontaneous emission from excited states as the system in our scheme evolves along a dark state. In our scheme the vibrational degrees of freedom are not required to be cooled to their ground states because they are only virtually excited. It is shown that the fidelity of the resultant gate operation is still high even when the magnitude of the effective Rabi frequency moderately deviates from the desired value.

  7. Ramsey numbers and adiabatic quantum computing.

    PubMed

    Gaitan, Frank; Clark, Lane

    2012-01-01

    The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers R(m,n) with m, n≥3, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers R(m,n). We show how the computation of R(m,n) can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(2,s) for 5≤s≤7. We then discuss the algorithm's experimental implementation, and close by showing that Ramsey number computation belongs to the quantum complexity class quantum Merlin Arthur.

  8. Siphon flows in isolated magnetic flux tubes. II - Adiabatic flows

    NASA Technical Reports Server (NTRS)

    Montesinos, Benjamin; Thomas, John H.

    1989-01-01

    This paper extends the study of steady siphon flows in isolated magnetic flux tubes surrounded by field-free gas to the case of adiabatic flows. The basic equations governing steady adiabatic siphon flows in a thin, isolated magnetic flux tube are summarized, and qualitative features of adiabatic flows in elevated, arched flux tubes are discussed. The equations are then cast in nondimensional form and the results of numerical computations of adiabatic siphon flows in arched flux tubes are presented along with comparisons between isothermal and adiabatic flows. The effects of making the interior of the flux tube hotter or colder than the surrounding atmosphere at the upstream footpoint of the arch is considered. In this case, is it found that the adiabatic flows are qualitatively similar to the isothermal flows, with adiabatic cooling producing quantitative differences. Critical flows can produce a bulge point in the rising part of the arch and a concentration of magnetic flux above the bulge point.

  9. Siphon flows in isolated magnetic flux tubes. II. Adiabatic flows

    SciTech Connect

    Montesinos, B.; Thomas, J.H.

    1989-02-01

    This paper extends the study of steady siphon flows in isolated magnetic flux tubes surrounded by field-free gas to the case of adiabatic flows. The basic equations governing steady adiabatic siphon flows in a thin, isolated magnetic flux tube are summarized, and qualitative features of adiabatic flows in elevated, arched flux tubes are discussed. The equations are then cast in nondimensional form and the results of numerical computations of adiabatic siphon flows in arched flux tubes are presented along with comparisons between isothermal and adiabatic flows. The effects of making the interior of the flux tube hotter or colder than the surrounding atmosphere at the upstream footpoint of the arch is considered. In this case, is it found that the adiabatic flows are qualitatively similar to the isothermal flows, with adiabatic cooling producing quantitative differences. Critical flows can produce a bulge point in the rising part of the arch and a concentration of magnetic flux above the bulge point. 15 references.

  10. Computer Code For Turbocompounded Adiabatic Diesel Engine

    NASA Technical Reports Server (NTRS)

    Assanis, D. N.; Heywood, J. B.

    1988-01-01

    Computer simulation developed to study advantages of increased exhaust enthalpy in adiabatic turbocompounded diesel engine. Subsytems of conceptual engine include compressor, reciprocator, turbocharger turbine, compounded turbine, ducting, and heat exchangers. Focus of simulation of total system is to define transfers of mass and energy, including release and transfer of heat and transfer of work in each subsystem, and relationship among subsystems. Written in FORTRAN IV.

  11. Adiabatic charging of nickel-hydrogen batteries

    NASA Astrophysics Data System (ADS)

    Lurie, Chuck; Foroozan, S.; Brewer, Jeff; Jackson, Lorna

    1995-02-01

    Battery management during prelaunch activities has always required special attention and careful planning. The transition from nickel-cadium to nickel-hydrogen batteries, with their high self discharge rate and lower charge efficiency, as well as longer prelaunch scenarios, has made this aspect of spacecraft battery management even more challenging. The AXAF-I Program requires high battery state of charge at launch. The use of active cooling, to ensure efficient charging, was considered and proved to be difficult and expensive. Alternative approaches were evaluated. Optimized charging, in the absence of cooling, appeared promising and was investigated. Initial testing was conducted to demonstrate the feasibility of the 'Adiabatic Charging' approach. Feasibility was demonstrated and additional testing performed to provide a quantitative, parametric data base. The assumption that the battery is in an adiabatic environment during prelaunch charging is a conservative approximation because the battery will transfer some heat to its surroundings by convective air cooling. The amount is small compared to the heat dissipated during battery overcharge. Because the battery has a large thermal mass, substantial overcharge can occur before the cells get too hot to charge efficiently. The testing presented here simulates a true adiabatic environment. Accordingly the data base may be slightly conservative. The adiabatic charge methodology used in this investigation begins with stabilizing the cell at a given starting temperature. The cell is then fully insulated on all sides. Battery temperature is carefully monitored and the charge terminated when the cell temperature reaches 85 F. Charging has been evaluated with starting temperatures from 55 to 75 F.

  12. Advanced Adiabatic Demagnetization Refrigerators for Continuous Cooling

    NASA Technical Reports Server (NTRS)

    Chu, Paul C. W.

    2004-01-01

    The research at Houston was focused on optimizing the design of superconducting magnets for advanced adiabatic demagnetization refrigerators (ADRs), assessing the feasibility of using high temperature superconducting (HTS) magnets in ADRs in the future, and developing techniques to deposit HTS thin and thick films on high strength, low thermal conductivity substrates for HTS magnet leads. Several approaches have been tested for the suggested superconducting magnets.

  13. Effective field theory of cosmological perturbations

    NASA Astrophysics Data System (ADS)

    Piazza, Federico; Vernizzi, Filippo

    2013-11-01

    The effective field theory of cosmological perturbations stems from considering a cosmological background solution as a state displaying spontaneous breaking of time translations and (adiabatic) perturbations as the related Nambu-Goldstone modes. With this insight, one can systematically develop a theory for the cosmological perturbations during inflation and, with minor modifications, also describe in full generality the gravitational interactions of dark energy, which are relevant for late-time cosmology. The formalism displays a unique set of Lagrangian operators containing an increasing number of cosmological perturbations and derivatives. We give an introductory description of the unitary gauge formalism for theories with broken gauge symmetry—that allows us to write down the most general Lagrangian—and of the Stückelberg ‘trick’—that allows to recover gauge invariance and to make the scalar field explicit. We show how to apply this formalism to gravity and cosmology and we reproduce the detailed analysis of the action in the ADM variables. We also review some basic applications to inflation and dark energy.

  14. The probability equation for the cosmological comoving curvature perturbation

    SciTech Connect

    Riotto, Antonio; Sloth, Martin S. E-mail: sloth@cern.ch

    2011-10-01

    Fluctuations of the comoving curvature perturbation with wavelengths larger than the horizon length are governed by a Langevin equation whose stochastic noise arise from the quantum fluctuations that are assumed to become classical at horizon crossing. The infrared part of the curvature perturbation performs a random walk under the action of the stochastic noise and, at the same time, it suffers a classical force caused by its self-interaction. By a path-interal approach and, alternatively, by the standard procedure in random walk analysis of adiabatic elimination of fast variables, we derive the corresponding Kramers-Moyal equation which describes how the probability distribution of the comoving curvature perturbation at a given spatial point evolves in time and is a generalization of the Fokker-Planck equation. This approach offers an alternative way to study the late time behaviour of the correlators of the curvature perturbation from infrared effects.

  15. Finite-temperature second-order many-body perturbation and Hartree–Fock theories for one-dimensional solids: An application to Peierls and charge-density-wave transitions in conjugated polymers

    SciTech Connect

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-14

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree–Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the “dimerized” low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

  16. Finite-temperature second-order many-body perturbation and Hartree-Fock theories for one-dimensional solids: an application to Peierls and charge-density-wave transitions in conjugated polymers.

    PubMed

    He, Xiao; Ryu, Shinsei; Hirata, So

    2014-01-14

    Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree-Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the "dimerized" low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

  17. Finite-temperature coupled-cluster, many-body perturbation, and restricted and unrestricted Hartree–Fock study on one-dimensional solids: Luttinger liquids, Peierls transitions, and spin- and charge-density waves

    SciTech Connect

    Hermes, Matthew R.; Hirata, So

    2015-09-14

    One-dimensional (1D) solids exhibit a number of striking electronic structures including charge-density wave (CDW) and spin-density wave (SDW). Also, the Peierls theorem states that at zero temperature, a 1D system predicted by simple band theory to be a metal will spontaneously dimerize and open a finite fundamental bandgap, while at higher temperatures, it will assume the equidistant geometry with zero bandgap (a Peierls transition). We computationally study these unique electronic structures and transition in polyyne and all-trans polyacetylene using finite-temperature generalizations of ab initio spin-unrestricted Hartree–Fock (UHF) and spin-restricted coupled-cluster doubles (CCD) theories, extending upon previous work [He et al., J. Chem. Phys. 140, 024702 (2014)] that is based on spin-restricted Hartree–Fock (RHF) and second-order many-body perturbation (MP2) theories. Unlike RHF, UHF can predict SDW as well as CDW and metallic states, and unlike MP2, CCD does not diverge even if the underlying RHF reference wave function is metallic. UHF predicts a gapped SDW state with no dimerization at low temperatures, which gradually becomes metallic as the temperature is raised. CCD, meanwhile, confirms that electron correlation lowers the Peierls transition temperature. Furthermore, we show that the results from all theories for both polymers are subject to a unified interpretation in terms of the UHF solutions to the Hubbard–Peierls model using different values of the electron-electron interaction strength, U/t, in its Hamiltonian. The CCD wave function is shown to encompass the form of the exact solution of the Tomonaga–Luttinger model and is thus expected to describe accurately the electronic structure of Luttinger liquids.

  18. Finite-temperature coupled-cluster, many-body perturbation, and restricted and unrestricted Hartree-Fock study on one-dimensional solids: Luttinger liquids, Peierls transitions, and spin- and charge-density waves.

    PubMed

    Hermes, Matthew R; Hirata, So

    2015-09-14

    One-dimensional (1D) solids exhibit a number of striking electronic structures including charge-density wave (CDW) and spin-density wave (SDW). Also, the Peierls theorem states that at zero temperature, a 1D system predicted by simple band theory to be a metal will spontaneously dimerize and open a finite fundamental bandgap, while at higher temperatures, it will assume the equidistant geometry with zero bandgap (a Peierls transition). We computationally study these unique electronic structures and transition in polyyne and all-trans polyacetylene using finite-temperature generalizations of ab initio spin-unrestricted Hartree-Fock (UHF) and spin-restricted coupled-cluster doubles (CCD) theories, extending upon previous work [He et al., J. Chem. Phys. 140, 024702 (2014)] that is based on spin-restricted Hartree-Fock (RHF) and second-order many-body perturbation (MP2) theories. Unlike RHF, UHF can predict SDW as well as CDW and metallic states, and unlike MP2, CCD does not diverge even if the underlying RHF reference wave function is metallic. UHF predicts a gapped SDW state with no dimerization at low temperatures, which gradually becomes metallic as the temperature is raised. CCD, meanwhile, confirms that electron correlation lowers the Peierls transition temperature. Furthermore, we show that the results from all theories for both polymers are subject to a unified interpretation in terms of the UHF solutions to the Hubbard-Peierls model using different values of the electron-electron interaction strength, U/t, in its Hamiltonian. The CCD wave function is shown to encompass the form of the exact solution of the Tomonaga-Luttinger model and is thus expected to describe accurately the electronic structure of Luttinger liquids. PMID:26374011

  19. Random matrix model of adiabatic quantum computing

    SciTech Connect

    Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.

    2005-05-15

    We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of random matrix theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances - i.e., those having a critical ratio of clauses to variables - the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathematical model of the probability of avoided level crossings and concomitant failure rate of the adiabatic algorithm due to nonadiabatic Landau-Zener-type transitions. Our model predicts that if the interpolation is performed at a uniform rate, the average failure rate of the quantum adiabatic algorithm, when averaged over hard problem instances, scales exponentially with increasing problem size.

  20. Adiabatic model and design of a translating field reversed configuration

    SciTech Connect

    Intrator, T. P.; Siemon, R. E.; Sieck, P. E.

    2008-04-15

    We apply an adiabatic evolution model to predict the behavior of a field reversed configuration (FRC) during decompression and translation, as well as during boundary compression. Semi-empirical scaling laws, which were developed and benchmarked primarily for collisionless FRCs, are expected to remain valid even for the collisional regime of FRX-L experiment. We use this approach to outline the design implications for FRX-L, the high density translated FRC experiment at Los Alamos National Laboratory. A conical theta coil is used to accelerate the FRC to the largest practical velocity so it can enter a mirror bounded compression region, where it must be a suitable target for a magnetized target fusion (MTF) implosion. FRX-L provides the physics basis for the integrated MTF plasma compression experiment at the Shiva-Star pulsed power facility at Kirtland Air Force Research Laboratory, where the FRC will be compressed inside a flux conserving cylindrical shell.

  1. Evolution of f{sub NL} to the adiabatic limit

    SciTech Connect

    Elliston, Joseph; Mulryne, David J.; Tavakol, Reza; Seery, David E-mail: D.Mulryne@qmul.ac.uk E-mail: R.Tavakol@qmul.ac.uk

    2011-11-01

    We study inflationary perturbations in multiple-field models, for which ζ typically evolves until all isocurvature modes decay — the {sup a}diabatic limit{sup .} We use numerical methods to explore the sensitivity of the local-shape bispectrum to the process by which this limit is achieved, finding an appreciable dependence on model-specific data such as the time at which slow-roll breaks down or the timescale of reheating. In models with a sum-separable potential where the isocurvature modes decay before the end of the slow-roll phase we give an analytic criterion for the asymptotic value of f{sub NL} to be large. Other examples can be constructed using a waterfall field to terminate inflation while f{sub NL} is transiently large, caused by descent from a ridge or convergence into a valley. We show that these two types of evolution are distinguished by the sign of the bispectrum, and give approximate expressions for the peak f{sub NL}.

  2. Non-adiabatic effects in near-adiabatic mixed-field orientation and alignment

    NASA Astrophysics Data System (ADS)

    Maan, Anjali; Ahlawat, Dharamvir Singh; Prasad, Vinod

    2016-11-01

    We present a theoretical study of the impact of a pair of moderate electric fields tilted an angle with respect to one another on a molecule. As a prototype, we consider a molecule with large rotational constant (with corresponding small rotational period) and moderate dipole moment. Within rigid-rotor approximation, the time-dependent Schrodinger equation is solved using fourth-order Runge-Kutta method. We have analysed that lower rotational states are significantly influenced by variation in pulse durations, the tilt angle between the fields and also on the electric field strengths. We also suggest a control scheme of how the rotational dynamics, orientation and alignment of a molecule can be enhanced by a combination of near-adiabatic pulses in comparision to non-adiabatic or adiabatic pulses.

  3. First-order derivative couplings between excited states from adiabatic TDDFT response theory

    SciTech Connect

    Ou, Qi; Subotnik, Joseph E.; Bellchambers, Gregory D.; Furche, Filipp

    2015-02-14

    We present a complete derivation of derivative couplings between excited states in the framework of adiabatic time-dependent density functional response theory. Explicit working equations are given and the resulting derivative couplings are compared with derivative couplings from a pseudo-wavefunction ansatz. For degenerate excited states, i.e., close to a conical intersection (CI), the two approaches are identical apart from an antisymmetric overlap term. However, if the difference between two excitation energies equals another excitation energy, the couplings from response theory exhibit an unphysical divergence. This spurious behavior is a result of the adiabatic or static kernel approximation of time-dependent density functional theory leading to an incorrect analytical structure of the quadratic response function. Numerical examples for couplings close to a CI and for well-separated electronic states are given.

  4. Bond selective chemistry beyond the adiabatic approximation

    SciTech Connect

    Butler, L.J.

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  5. Shortcut to adiabaticity in spinor condensates

    NASA Astrophysics Data System (ADS)

    Sala, Arnau; Núñez, David López; Martorell, Joan; De Sarlo, Luigi; Zibold, Tilman; Gerbier, Fabrice; Polls, Artur; Juliá-Díaz, Bruno

    2016-10-01

    We devise a method to shortcut the adiabatic evolution of a spin-1 Bose gas with an external magnetic field as the control parameter. An initial many-body state with almost all bosons populating the Zeeman sublevel m =0 is evolved to a final state very close to a macroscopic spin-singlet condensate, a fragmented state with three macroscopically occupied Zeeman states. The shortcut protocol, obtained by an approximate mapping to a harmonic oscillator Hamiltonian, is compared to linear and exponential variations of the control parameter. We find a dramatic speedup of the dynamics when using the shortcut protocol.

  6. Generalized Ramsey numbers through adiabatic quantum optimization

    NASA Astrophysics Data System (ADS)

    Ranjbar, Mani; Macready, William G.; Clark, Lane; Gaitan, Frank

    2016-09-01

    Ramsey theory is an active research area in combinatorics whose central theme is the emergence of order in large disordered structures, with Ramsey numbers marking the threshold at which this order first appears. For generalized Ramsey numbers r( G, H), the emergent order is characterized by graphs G and H. In this paper we: (i) present a quantum algorithm for computing generalized Ramsey numbers by reformulating the computation as a combinatorial optimization problem which is solved using adiabatic quantum optimization; and (ii) determine the Ramsey numbers r({{T}}m,{{T}}n) for trees of order m,n = 6,7,8, most of which were previously unknown.

  7. Cavity-state preparation using adiabatic transfer

    NASA Astrophysics Data System (ADS)

    Larson, Jonas; Andersson, Erika

    2005-05-01

    We show how to prepare a variety of cavity field states for multiple cavities. The state preparation technique used is related to the method of stimulated adiabatic Raman passage. The cavity modes are coupled by atoms, making it possible to transfer an arbitrary cavity field state from one cavity to another and also to prepare nontrivial cavity field states. In particular, we show how to prepare entangled states of two or more cavities, such as an Einstein-Podolsky-Rosen state and a W state, as well as various entangled superpositions of coherent states in different cavities, including Schrödinger cat states. The theoretical considerations are supported by numerical simulations.

  8. Phase avalanches in near-adiabatic evolutions

    SciTech Connect

    Vertesi, T.; Englman, R.

    2006-02-15

    In the course of slow, nearly adiabatic motion of a system, relative changes in the slowness can cause abrupt and high magnitude phase changes, ''phase avalanches,'' superimposed on the ordinary geometric phases. The generality of this effect is examined for arbitrary Hamiltonians and multicomponent (>2) wave packets and is found to be connected (through the Blaschke term in the theory of analytic signals) to amplitude zeros in the lower half of the complex time plane. Motion on a nonmaximal circle on the Poincare-sphere suppresses the effect. A spectroscopic transition experiment can independently verify the phase-avalanche magnitudes.

  9. 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.

  10. Matter perturbations in Galileon cosmology

    SciTech Connect

    De Felice, Antonio; Kase, Ryotaro; Tsujikawa, Shinji

    2011-02-15

    We study the evolution of matter density perturbations in Galileon cosmology where the late-time cosmic acceleration can be realized by a field kinetic energy. We obtain full perturbation equations at linear order in the presence of five covariant Lagrangians L{sub i} (i=1,{center_dot}{center_dot}{center_dot},5) satisfying the Galileon symmetry {partial_derivative}{sub {mu}}{phi}{yields}{partial_derivative}{sub {mu}}{phi}{sup +}b{sub {mu}} in the flat space-time. The equations for a matter perturbation as well as an effective gravitational potential are derived under a quasistatic approximation on subhorizon scales. This approximation can reproduce full numerical solutions with high accuracy for the wavelengths relevant to large-scale structures. For the model parameters constrained by the background expansion history of the Universe, the growth rate of matter perturbations is larger than that in the {Lambda}-cold dark matter model, with the growth index {gamma} today typically smaller than 0.4. We also find that, even on very large scales associated with the integrated-Sachs-Wolfe effect in cosmic microwave background temperature anisotropies, the effective gravitational potential exhibits a temporal growth during the transition from the matter era to the epoch of cosmic acceleration. These properties are useful to distinguish the Galileon model from the {Lambda}-cold dark matter model in future high-precision observations.

  11. Disformal invariance of curvature perturbation

    NASA Astrophysics Data System (ADS)

    Motohashi, Hayato; White, Jonathan

    2016-02-01

    We show that under a general disformal transformation the linear comoving curvature perturbation is not identically invariant, but is invariant on superhorizon scales for any theory that is disformally related to Horndeski's theory. The difference between disformally related curvature perturbations is found to be given in terms of the comoving density perturbation associated with a single canonical scalar field. In General Relativity it is well-known that this quantity vanishes on superhorizon scales through the Poisson equation that is obtained on combining the Hamiltonian and momentum constraints, and we confirm that a similar result holds for any theory that is disformally related to Horndeski's scalar-tensor theory so long as the invertibility condition for the disformal transformation is satisfied. We also consider the curvature perturbation at full nonlinear order in the unitary gauge, and find that it is invariant under a general disformal transformation if we assume that an attractor regime has been reached. Finally, we also discuss the counting of degrees of freedom in theories disformally related to Horndeski's.

  12. Phase relations and adiabats in boiling seafloor geothermal systems

    USGS Publications Warehouse

    Bischoff, J.L.; Pitzer, Kenneth S.

    1985-01-01

    Observations of large salinity variations and vent temperatures in the range of 380-400??C suggest that boiling or two-phase separation may be occurring in some seafloor geothermal systems. Consideration of flow rates and the relatively small differences in density between vapors and liquids at the supercritical pressures at depth in these systems suggests that boiling is occurring under closed-system conditions. Salinity and temperature of boiling vents can be used to estimate the pressure-temperature point in the subsurface at which liquid seawater first reached the two-phase boundary. Data are reviewed to construct phase diagrams of coexisting brines and vapors in the two-phase region at pressures corresponding to those of the seafloor geothermal systems. A method is developed for calculating the enthalpy and entropy of the coexisting mixtures, and results are used to construct adiabats from the seafloor to the P-T two-phase boundary. Results for seafloor vents discharging at 2300 m below sea level indicate that a 385??C vent is composed of a brine (7% NaCl equivalent) in equilibrium with a vapor (0.1% NaCl). Brine constitutes 45% by weight of the mixture, and the fluid first boiled at approximately 1 km below the seafloor at 415??C, 330 bar. A 400??C vent is primarily vapor (88 wt.%, 0.044% NaCl) with a small amount of brine (26% NaCl) and first boiled at 2.9 km below the seafloor at 500??C, 520 bar. These results show that adiabatic decompression in the two-phase region results in dramatic cooling of the fluid mixture when there is a large fraction of vapor. ?? 1985.

  13. Plasma perturbation induced by laser photodetachment.

    PubMed

    Nishiura, M; Sasao, M; Wada, M; Bacal, M

    2001-03-01

    The plasma dynamics arising from laser photodetachment is discussed herein theoretically and experimentally. The hybrid fluid-kinetic model, where the positive ions and electrons are treated by the fluid theory and the negative ions are treated within the ballistic approximation, is extended and applied to the analysis of densities perturbed by laser photodetachment. The agreement between the theory and measured data confirms the validity of the considered plasma dynamics model. This model, including the positive ion perturbation, shows a good agreement with the time evolution and the spatial distribution of perturbed electron densities which are measured by a Langmuir probe inside and outside the laser beam. From the overshoot in the time evolution of perturbed electron current in the center of the laser beam, the positive ion temperature was found to be in the range 0.1-0.25 eV, while the electron temperature changes from 0.3 to 3.2 eV.

  14. Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection.

    PubMed

    Vuckovic, Stefan; Irons, Tom J P; Savin, Andreas; Teale, Andrew M; Gori-Giorgi, Paola

    2016-06-14

    The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange-correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed. PMID:27116427

  15. Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection

    PubMed Central

    2016-01-01

    The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange–correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange–correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed. PMID:27116427

  16. Quantum inflaton, primordial perturbations, and CMB fluctuations

    SciTech Connect

    Cao, F.J.; Vega, H.J. de; Sanchez, N.G.

    2004-10-15

    We compute the primordial scalar, vector and tensor metric perturbations arising from quantum field inflation. Quantum field inflation takes into account the nonperturbative quantum dynamics of the inflaton consistently coupled to the dynamics of the (classical) cosmological metric. For chaotic inflation, the quantum treatment avoids the unnatural requirements of an initial state with all the energy in the zero mode. For new inflation it allows a consistent treatment of the explosive particle production due to spinodal instabilities. Quantum field inflation (under conditions that are the quantum analog of slow-roll) leads, upon evolution, to the formation of a condensate starting a regime of effective classical inflation. We compute the primordial perturbations taking the dominant quantum effects into account. The results for the scalar, vector and tensor primordial perturbations are expressed in terms of the classical inflation results. For a N-component field in a O(N) symmetric model, adiabatic fluctuations dominate while isocurvature or entropy fluctuations are negligible. The results agree with the current Wilkinson Microwave Anisotropy Probe observations and predict corrections to the power spectrum in classical inflation. Such corrections are estimated to be of the order of (m{sup 2}/NH{sup 2}), where m is the inflaton mass and H the Hubble constant at the moment of horizon crossing. An upper estimate turns to be about 4% for the cosmologically relevant scales. This quantum field treatment of inflation provides the foundations to the classical inflation and permits to compute quantum corrections to it.

  17. Universal fault-tolerant adiabatic quantum computing with quantum dots or donors

    NASA Astrophysics Data System (ADS)

    Landahl, Andrew

    I will present a conceptual design for an adiabatic quantum computer that can achieve arbitrarily accurate universal fault-tolerant quantum computations with a constant energy gap and nearest-neighbor interactions. This machine can run any quantum algorithm known today or discovered in the future, in principle. The key theoretical idea is adiabatic deformation of degenerate ground spaces formed by topological quantum error-correcting codes. An open problem with the design is making the four-body interactions and measurements it uses more technologically accessible. I will present some partial solutions, including one in which interactions between quantum dots or donors in a two-dimensional array can emulate the desired interactions in second-order perturbation theory. I will conclude with some open problems, including the challenge of reformulating Kitaev's gadget perturbation theory technique so that it preserves fault tolerance. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  18. 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.

  19. Effect of the Heat Pipe Adiabatic Region.

    PubMed

    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

  20. Automated Lattice Perturbation Theory

    SciTech Connect

    Monahan, Christopher

    2014-11-01

    I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.

  1. Perturbative tests of non-perturbative counting

    NASA Astrophysics Data System (ADS)

    Dabholkar, Atish; Gomes, João

    2010-03-01

    We observe that a class of quarter-BPS dyons in mathcal{N} = 4 theories with charge vector ( Q, P) and with nontrivial values of the arithmetic duality invariant I := gcd( Q∧ P) are nonperturbative in one frame but perturbative in another frame. This observation suggests a test of the recently computed nonperturbative partition functions for dyons with nontrivial values of the arithmetic invariant. For all values of I, we show that the nonperturbative counting yields vanishing indexed degeneracy for this class of states everywhere in the moduli space in precise agreement with the perturbative result.

  2. Adiabat Shaping of ICF Capsules Using Ramped Pressure Profiles

    NASA Astrophysics Data System (ADS)

    Anderson, K.; Betti, R.; Collins, T. J. B.; Marinak, M. M.; Haan, S. W.

    2002-11-01

    Target design of direct-drive ICF capsules has historically involved a compromise between high 1-D (clean) yield and capsule stability. Low-adiabat fuel is desirable to achieve high compression and, hence, high yield. A higher adiabat at the ablation front reduces the growth rate of the Raleigh--Taylor instability due to higher ablation velocity. An optimal target design will take advantage of both by shaping the adiabat of the capsule to allow for high adiabat in the material that is to be ablated and low adiabat in the remaining fuel. We present here a method of adiabat shaping using a low-intensity prepulse followed by laser shutoff before beginning the main drive pulse. This creates a decaying shock with a ramped pressure profile behind it. Since the prepulse is low intensity, the adiabat is not strongly affected by the prepulse. The main shock is then launched up this ramped pressure profile to set the adiabat. Because the main shock sees an increasing pressure profile, the effective strength of the shock decreases as it propagates through the shell, thus creating a smooth adiabat profile from high outer-shell adiabat to low inner-shell adiabat. Results of simulations using 1-D LILAC and 2-D DRACO (LLE), as well as 1-D and 2-D HYDRA (LLNL), are presented. This work was supported by the U.S. DOE Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC03-92SF19460 and by the University of California LLNL under contract No. W-7405-Eng-48.

  3. Adiabatic fast passage application in solid state NMR study of cross relaxation and molecular dynamics in heteronuclear systems.

    PubMed

    Baranowski, M; Woźniak-Braszak, A; Jurga, K

    2016-01-01

    The paper presents the benefits of using fast adiabatic passage for the study of molecular dynamics in the solid state heteronuclear systems in the laboratory frame. A homemade pulse spectrometer operating at the frequency of 30.2MHz and 28.411MHz for protons and fluorines, respectively, has been enhanced with microcontroller direct digital synthesizer DDS controller [1-4]. This work briefly describes how to construct a low-cost and easy-to-assemble adiabatic extension set for homemade and commercial spectrometers based on recently very popular Arduino shields. The described set was designed for fast adiabatic generation. Timing and synchronization problems are discussed. The cross-relaxation experiments with different initial states of the two spin systems have been performed. Contrary to our previous work [5] where the steady-state NOE experiments were conducted now proton spins (1)H are polarized in the magnetic field B0 while fluorine spins (19)F are perturbed by selective saturation for a short time and then the system is allowed to evolve for a period in the absence of a saturating field. The adiabatic passage application leads to a reversal of magnetization of fluorine spins and increases the amplitude of the signal. PMID:26705906

  4. Adiabatic fast passage application in solid state NMR study of cross relaxation and molecular dynamics in heteronuclear systems

    NASA Astrophysics Data System (ADS)

    Baranowski, M.; Woźniak-Braszak, A.; Jurga, K.

    2016-01-01

    The paper presents the benefits of using fast adiabatic passage for the study of molecular dynamics in the solid state heteronuclear systems in the laboratory frame. A homemade pulse spectrometer operating at the frequency of 30.2 MHz and 28.411 MHz for protons and fluorines, respectively, has been enhanced with microcontroller direct digital synthesizer DDS controller [1-4]. This work briefly describes how to construct a low-cost and easy-to-assemble adiabatic extension set for homemade and commercial spectrometers based on recently very popular Arduino shields. The described set was designed for fast adiabatic generation. Timing and synchronization problems are discussed. The cross-relaxation experiments with different initial states of the two spin systems have been performed. Contrary to our previous work [5] where the steady-state NOE experiments were conducted now proton spins 1H are polarized in the magnetic field B0 while fluorine spins 19F are perturbed by selective saturation for a short time and then the system is allowed to evolve for a period in the absence of a saturating field. The adiabatic passage application leads to a reversal of magnetization of fluorine spins and increases the amplitude of the signal.

  5. Adiabatic fast passage application in solid state NMR study of cross relaxation and molecular dynamics in heteronuclear systems.

    PubMed

    Baranowski, M; Woźniak-Braszak, A; Jurga, K

    2016-01-01

    The paper presents the benefits of using fast adiabatic passage for the study of molecular dynamics in the solid state heteronuclear systems in the laboratory frame. A homemade pulse spectrometer operating at the frequency of 30.2MHz and 28.411MHz for protons and fluorines, respectively, has been enhanced with microcontroller direct digital synthesizer DDS controller [1-4]. This work briefly describes how to construct a low-cost and easy-to-assemble adiabatic extension set for homemade and commercial spectrometers based on recently very popular Arduino shields. The described set was designed for fast adiabatic generation. Timing and synchronization problems are discussed. The cross-relaxation experiments with different initial states of the two spin systems have been performed. Contrary to our previous work [5] where the steady-state NOE experiments were conducted now proton spins (1)H are polarized in the magnetic field B0 while fluorine spins (19)F are perturbed by selective saturation for a short time and then the system is allowed to evolve for a period in the absence of a saturating field. The adiabatic passage application leads to a reversal of magnetization of fluorine spins and increases the amplitude of the signal.

  6. The Adiabatic Invariance of the Action Variable in Classical Dynamics

    ERIC Educational Resources Information Center

    Wells, Clive G.; Siklos, Stephen T. C.

    2007-01-01

    We consider one-dimensional classical time-dependent Hamiltonian systems with quasi-periodic orbits. It is well known that such systems possess an adiabatic invariant which coincides with the action variable of the Hamiltonian formalism. We present a new proof of the adiabatic invariance of this quantity and illustrate our arguments by means of…

  7. Generation of atomic NOON states via shortcuts to adiabatic passage

    NASA Astrophysics Data System (ADS)

    Song, Chong; Su, Shi-Lei; Bai, Cheng-Hua; Ji, Xin; Zhang, Shou

    2016-10-01

    Based on Lewis-Riesenfeld invariants and quantum Zeno dynamics, we propose an effective scheme for generating atomic NOON states via shortcuts to adiabatic passage. The photon losses are efficiently suppressed by engineering shortcuts to adiabatic passage in the scheme. The numerical simulation shows that the atomic NOON states can be generated with high fidelity.

  8. Kinetic Theory Derivation of the Adiabatic Law for Ideal Gases.

    ERIC Educational Resources Information Center

    Sobel, Michael I.

    1980-01-01

    Discusses how the adiabatic law for ideal gases can be derived from the assumption of a Maxwell-Boltzmann (or any other) distribution of velocities--in contrast to the usual derivations from thermodynamics alone, and the higher-order effect that leads to one-body viscosity. An elementary derivation of the adiabatic law is given. (Author/DS)

  9. Adiabat-shaping in indirect drive inertial confinement fusion

    SciTech Connect

    Baker, K. L.; Robey, H. F.; Milovich, J. L.; Jones, O. S.; Smalyuk, V. A.; Casey, D. T.; MacPhee, A. G.; Pak, A.; Celliers, P. M.; Clark, D. S.; Landen, O. L.; Peterson, J. L.; Berzak-Hopkins, L. F.; Weber, C. R.; Haan, S. W.; Döppner, T. D.; Dixit, S.; Hamza, A. V.; Jancaitis, K. S.; Kroll, J. J.; and others

    2015-05-15

    Adiabat-shaping techniques were investigated in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform for both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. This approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures.

  10. An adiabatic demagnetization refrigerator for SIRTF

    NASA Technical Reports Server (NTRS)

    Timbie, P. T.; Bernstein, G. M.; Richards, P. L.

    1989-01-01

    An adiabatic demagnetization refrigerator (ADR) has been proposed to cool bolometric infrared detectors on the multiband imaging photometer of the Space Infrared Telescope Facility (SIRTF). One such refrigerator has been built which uses a ferric ammonium alum salt pill suspended by nylon threads in a 3-T solenoid. The resonant modes of this suspension are above 100 Hz. The heat leak to the salt pill is less than 0.5 microW. The system has a hold time at 0.1K of more than 12 h. The cold stage temperature is regulated with a feedback loop that controls the magnetic field. A second, similar refrigerator is being built at a SIRTF prototype to fly on a ballon-borne telescope. It will use a ferromagnetic shield. The possibility of using a high-Tc solenoid-actuated heat switch is also discussed.

  11. An adiabatic demagnetization refrigerator for SIRTF

    SciTech Connect

    Timbie, P.T.; Bernstein, G.M.; Richards, P.L.

    1989-02-01

    An adiabatic demagnetization refrigerator (ADR) has been proposed to cool bolometric infrared detectors on the Multiband Imaging Photometer of the Space Infrared Telescope Facility (SIRTF). The authors have built one such refrigerator which employs a ferric ammonium alum salt pill suspended by nylon threads in a 3 Tesla solenoid. The resonant modes of this suspension are above 100 Hz. The heat leak to the salt pill is <0.5 ..mu..W. The system has a hold time at 0.1 /sup 0/K of >12 hours. The cold stage temperature is regulated with a feedback loop that controls the magnetic field. A second, similar refrigerator is being built as a SIRTF prototype to fly on a balloon-borne telescope. It will employ a ferromagnetic shield. The possibility of using high T/sub c/ leads to the superconducting magnet and a solenoid-actuated heat switch are also discussed.

  12. The HAWC and SAFIRE Adiabatic Demagnetization Refrigerators

    NASA Technical Reports Server (NTRS)

    Tuttle, Jim; Shirron, Peter; DiPirro, Michael; Jackson, Michael; Behr, Jason; Kunes, Evan; Hait, Tom; Krebs, Carolyn (Technical Monitor)

    2001-01-01

    The High-Resolution Airborne Wide-band Camera (HAWC) and Submillimeter and Far Infrared Experiment (SAFIRE) are far-infrared experiments which will fly on the Stratospheric Observatory for Infrared Astronomy (SOFIA) aircraft. HAWC's detectors will operate at 0.2 Kelvin, while those of SAFIRE will be at 0.1 Kelvin. Each instrument will include an adiabatic demagnetization refrigerator (ADR) to cool its detector stage from the liquid helium bath temperature (HAWC's at 4.2 Kelvin and SAFIRE's pumped to about 1.3 Kelvin) to its operating temperature. Except for the magnets used to achieve the cooling and a slight difference in the heat switch design, the two ADRs are nearly identical. We describe the ADR design and present the results of performance testing.

  13. Number Partitioning via Quantum Adiabatic Computation

    NASA Technical Reports Server (NTRS)

    Smelyanskiy, Vadim N.; Toussaint, Udo; Clancy, Daniel (Technical Monitor)

    2002-01-01

    We study both analytically and numerically the complexity of the adiabatic quantum evolution algorithm applied to random instances of combinatorial optimization problems. We use as an example the NP-complete set partition problem and obtain an asymptotic expression for the minimal gap separating the ground and exited states of a system during the execution of the algorithm. We show that for computationally hard problem instances the size of the minimal gap scales exponentially with the problem size. This result is in qualitative agreement with the direct numerical simulation of the algorithm for small instances of the set partition problem. We describe the statistical properties of the optimization problem that are responsible for the exponential behavior of the algorithm.

  14. Differential topology of adiabatically controlled quantum processes

    NASA Astrophysics Data System (ADS)

    Jonckheere, Edmond A.; Rezakhani, Ali T.; Ahmad, Farooq

    2013-03-01

    It is shown that in a controlled adiabatic homotopy between two Hamiltonians, H 0 and H 1, the gap or "anti-crossing" phenomenon can be viewed as the development of cusps and swallow tails in the region of the complex plane where two critical value curves of the quadratic map associated with the numerical range of H 0 + i H 1 come close. The "near crossing" in the energy level plots happens to be a generic situation, in the sense that a crossing is a manifestation of the quadratic numerical range map being unstable in the sense of differential topology. The stable singularities that can develop are identified and it is shown that they could occur near the gap, making those singularities of paramount importance. Various applications, including the quantum random walk, are provided to illustrate this theory.

  15. Quantum Adiabatic Optimization and Combinatorial Landscapes

    NASA Technical Reports Server (NTRS)

    Smelyanskiy, V. N.; Knysh, S.; Morris, R. D.

    2003-01-01

    In this paper we analyze the performance of the Quantum Adiabatic Evolution (QAE) algorithm on a variant of Satisfiability problem for an ensemble of random graphs parametrized by the ratio of clauses to variables, gamma = M / N. We introduce a set of macroscopic parameters (landscapes) and put forward an ansatz of universality for random bit flips. We then formulate the problem of finding the smallest eigenvalue and the excitation gap as a statistical mechanics problem. We use the so-called annealing approximation with a refinement that a finite set of macroscopic variables (verses only energy) is used, and are able to show the existence of a dynamic threshold gamma = gammad, beyond which QAE should take an exponentially long time to find a solution. We compare the results for extended and simplified sets of landscapes and provide numerical evidence in support of our universality ansatz.

  16. Geometric Adiabatic Transport in Quantum Hall States.

    PubMed

    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

  17. Geometric Adiabatic Transport in Quantum Hall States.

    PubMed

    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.

  18. Adiabatic frequency conversion of ultrafast pulses

    NASA Astrophysics Data System (ADS)

    Suchowski, H.; Bruner, B. D.; Ganany-Padowicz, A.; Juwiler, I.; Arie, A.; Silberberg, Y.

    2011-12-01

    A new method for efficient, broadband sum and difference frequency generation of ultrafast pulses is demonstrated. The principles of the method follow from an analogy between frequency conversion and coherent optical excitation of a two-level system. For conversion of ultrafast pulses, the concepts of adiabatic conversion are developed further in order to account for dispersion and group velocity mismatch. The scheme was implemented using aperiodically poled nonlinear crystals and a single step nonlinear mixing process, leading to conversion of near-IR (˜790 nm) ultrafast pulses into the blue (˜450 nm) and mid-IR (˜3.15 μm) spectral regions. Conversion bandwidths up to 15 THz FWHM and efficiencies up to 50% are reported.

  19. Stirling engine with one adiabatic cylinder

    NASA Astrophysics Data System (ADS)

    West, C. D.

    1982-03-01

    It is shown that integration around the P-V loop of a Stirling-like cycle with an adiabatic expansion or compression space is possible through careful application of the ideal gas laws. The result is a set of closed-form solutions or the work output, work input, and efficiency for ideal gases. Previous analyses yielded closed-form solutions only for machines in which all spaces behave isothermally, or that have other limitations that simplify the arithmetic but omit important aspects of real machines. The results of this analysis, although still far removed from the exact behavior of real, practical engines, yield important insights into the effects observed in computer models and experimental machines. These results are especially illuminating for machines intended to operate with fairly small temperature differences. Heat pumps and low-technology solar-powered engines might be included in this category.

  20. Sliding seal materials for adiabatic engines

    NASA Technical Reports Server (NTRS)

    Lankford, J.

    1985-01-01

    The sliding friction coefficients and wear rates of promising carbide, oxide, and nitride materials were measured under temperature, environmental, velocity, loading conditions that are representative of the adiabatic engine environment. In order to provide guidance needed to improve materials for this application, the program stressed fundamental understanding of the mechanisms involved in friction and wear. Microhardness tests were performed on the candidate materials at elevated temperatures, and in atmospheres relevant to the piston seal application, and optical and electron microscopy were used to elucidate the micromechanisms of wear following wear testing. X-ray spectroscopy was used to evaluate interface/environment interactions which seemed to be important in the friction and wear process. Electrical effects in the friction and wear processes were explored in order to evaluate the potential usefulness of such effects in modifying the friction and wear rates in service. However, this factor was found to be of negligible significance in controlling friction and wear.

  1. Adiabatic theory for anisotropic cold molecule collisions

    SciTech Connect

    Pawlak, Mariusz; Shagam, Yuval; Narevicius, Edvardas; Moiseyev, Nimrod

    2015-08-21

    We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment {sup 4}He(1s2s {sup 3}S) + HD(1s{sup 2}) → {sup 4}He(1s{sup 2}) + HD{sup +}(1s) + e{sup −} [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings.

  2. Lattice Boltzmann method for adiabatic acoustics.

    PubMed

    Li, Yanbing; Shan, Xiaowen

    2011-06-13

    The lattice Boltzmann method (LBM) has been proved to be a useful tool in many areas of computational fluid dynamics, including computational aero-acoustics (CAA). However, for historical reasons, its applications in CAA have been largely restricted to simulations of isothermal (Newtonian) sound waves. As the recent kinetic theory-based reformulation establishes a theoretical framework in which LBM can be extended to recover the full Navier-Stokes-Fourier (NS) equations and beyond, in this paper, we show that, at least at the low-frequency limit (sound frequency much less than molecular collision frequency), adiabatic sound waves can be accurately simulated by the LBM provided that the lattice and the distribution function ensure adequate recovery of the full NS equations.

  3. An integrated programming and development environment for adiabatic quantum optimization

    NASA Astrophysics Data System (ADS)

    Humble, T. S.; McCaskey, A. J.; Bennink, R. S.; Billings, J. J.; DʼAzevedo, E. F.; Sullivan, B. D.; Klymko, C. F.; Seddiqi, H.

    2014-01-01

    Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware has raised challenging questions about how to evaluate adiabatic quantum optimization (AQO) programs. Processor behavior depends on multiple steps to synthesize an adiabatic quantum program, which are each highly tunable. We present an integrated programming and development environment for AQO called Jade Adiabatic Development Environment (JADE) that provides control over all the steps taken during program synthesis. JADE captures the workflow needed to rigorously specify the AQO algorithm while allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation engine that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its potential use for benchmarking AQO programs by the quantum computer science community.

  4. An Integrated Development Environment for Adiabatic Quantum Programming

    SciTech Connect

    Humble, Travis S; McCaskey, Alex; Bennink, Ryan S; Billings, Jay Jay; D'Azevedo, Eduardo; Sullivan, Blair D; Klymko, Christine F; Seddiqi, Hadayat

    2014-01-01

    Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware raises the question of how well quantum programs perform. Benchmarking behavior is challenging since the multiple steps to synthesize an adiabatic quantum program are highly tunable. We present an adiabatic quantum programming environment called JADE that provides control over all the steps taken during program development. JADE captures the workflow needed to rigorously benchmark performance while also allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation engine that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its use for benchmarking adiabatic quantum programs.

  5. Coupled thermal, electrical, and fluid flow analyses of AMTEC multitube cell with adiabatic side wall

    NASA Astrophysics Data System (ADS)

    Schock, A.; Or, C.; Noravian, H.

    1997-01-01

    The paper describes a novel OSC-generated methodology for analyzing the performance of multitube AMTEC (Alkali Metal Thermal-to-Electrical Conversion) cells, which are under development by AMPS (Advanced Modular Power Systems, Inc.) for the Air Force Phillips Laboratory (AFPL) and NASA's Jet Propulsion Laboratory (JPL), for possible application to the Pluto Express and other space missions. The OSC study was supported by the Department of Energy (DOE), and was strongly encouraged by JPL, AFPL, and AMPS. It resulted in an iterative procedure for the coupled solution of the interdependent thermal, electrical, and fluid flow differential and integral equations governing the performance of AMTEC cells and generators. The paper clarifies the OSC procedure by presenting detailed results of its application to an illustrative example of a converter cell with an adiabatic side wall, including the non-linear axial variation of temperature, pressure, open-circuit voltage, interelectrode voltage, current density, axial current, sodium mass flow, and power density. The next paper in these proceedings describes parametric results obtained by applying the same procedure to variations of the baseline adiabatic converter design, culminating in an OSC-recommended revised cell design. A subsequent paper in these proceedings extends the procedure to analyze a variety of OSC-designed radioisotope-heated generators employing non-adiabatic multitube AMTEC cells.

  6. Frame independent cosmological perturbations

    SciTech Connect

    Prokopec, Tomislav; Weenink, Jan E-mail: j.g.weenink@uu.nl

    2013-09-01

    We compute the third order gauge invariant action for scalar-graviton interactions in the Jordan frame. We demonstrate that the gauge invariant action for scalar and tensor perturbations on one physical hypersurface only differs from that on another physical hypersurface via terms proportional to the equation of motion and boundary terms, such that the evolution of non-Gaussianity may be called unique. Moreover, we demonstrate that the gauge invariant curvature perturbation and graviton on uniform field hypersurfaces in the Jordan frame are equal to their counterparts in the Einstein frame. These frame independent perturbations are therefore particularly useful in relating results in different frames at the perturbative level. On the other hand, the field perturbation and graviton on uniform curvature hypersurfaces in the Jordan and Einstein frame are non-linearly related, as are their corresponding actions and n-point functions.

  7. Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation

    SciTech Connect

    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.

  8. Adiabatic nanofocusing: spectroscopy, transport and imaging investigation of the nano world

    NASA Astrophysics Data System (ADS)

    Giugni, A.; Allione, M.; Torre, B.; Das, G.; Francardi, M.; Moretti, M.; Malerba, M.; Perozziello, G.; Candeloro, P.; Di Fabrizio, E.

    2014-11-01

    Adiabatic compression plays a fundamental role in the realization of localized enhanced electromagnetic field hot spots, it provides the possibility to focus at nanoscale optical excitation. It differs from the well-known lightning rod effect since it is based on the lossless propagation of surface plasmon polaritons (SPPs) up to a nano-sized metal tip where the energy density is largely enhanced. Here we discuss two important applications of adiabatic compression: Raman and hot electron spectroscopy at nanometric resolution. The underlying phenomena are the conversion of SPPs into photons or hot electrons. New scanning probe spectroscopy techniques along with experimental results are discussed. We foresee that these techniques will play a key role in relating the functional and structural properties of matter at the nanoscale.

  9. Adiabatic Deceleration Effects on the Formation of Heavy Ion Charge Spectra in Interplanetary Space

    NASA Astrophysics Data System (ADS)

    Kartavykh, J. J.; Dröge, W.; Kovaltsov, G. A.; Ostryakov, V. M.

    2005-03-01

    We investigate the effects of interplanetary propagation on the energy dependence of the mean ionic charge of ~0.1 1 MeV/n iron observed during impulsive solar particle events at 1 AU. A Monte-Carlo approach is applied to solve the transport equation which takes into account spatial diffusion as well as convection and adiabatic deceleration. We find that interplanetary propagation results in a shift of charge spectra observed at 1 AU towards lower energies due to adiabatic deceleration. Taking the above effect into account, we compare predictions of our model of charge-consistent stochastic acceleration with recent ACE observations. A detailed analysis of two particle events shows that our model can give a consistent explanation of the observed iron charge and energy spectra, and allows one to put constraints on the temperature, density, and the acceleration and escape time scales in the acceleration region.

  10. Exploiting initial-state dependence to improve the performance of adiabatic TDDFT

    NASA Astrophysics Data System (ADS)

    Fuks, Johanna I.; Nielsen, Soeren E. B.; Ruggenthaler, Michael; Maitra, Neepa T.; Hunter college City University of New York Collaboration; Max-Planck-Institut für Struktur und Dynamik der Materie, Hamburg Collaboration

    Although time-dependent density functional theory (TDDFT) descriptions of dynamics in non-equilibrium situations have seen exciting successes recently, there have also been studies that throw into doubt the reliability of the approximate exchange-correlation functionals to accurately describe the dynamics. Here we study exact exchange-correlation potentials for few electron systems, found using the global fixed-point iteration method [NRL]. We find that the size of dynamical correlation features that are missing in the currently-used adiabatic approximations depend strongly on the choice of the initial Kohn-Sham wavefunction. With a judicious choice, the dynamical effects can be small over a finite time duration, but sometimes they can get large at longer times. We also examine different starting points, in particular an orbital-dependent potential directly obtained from the Kohn-Sham hole [LFSEM14], for approximate xc functionals: instead of building on an adiabatic approximation.

  11. Temperature gradients due to adiabatic plasma expansion in a magnetic nozzle

    NASA Astrophysics Data System (ADS)

    Sheehan, J. P.; Longmier, B. W.; Bering, E. A.; Olsen, C. S.; Squire, J. P.; Ballenger, M. G.; Carter, M. D.; Cassady, L. D.; Díaz, F. R. Chang; Glover, T. W.; Ilin, A. V.

    2014-08-01

    A mechanism for ambipolar ion acceleration in a magnetic nozzle is proposed. The plasma is adiabatic (i.e., does not exchange energy with its surroundings) in the diverging section of a magnetic nozzle so any energy lost by the electrons must be transferred to the ions via the electric field. Fluid theory indicates that the change in plasma potential is proportional to the change in average electron energy. These predictions were compared to measurements in the VX-200 experiment which has conditions conducive to ambipolar ion acceleration. A planar Langmuir probe was used to measure the plasma potential, electron density, and electron temperature for a range of mass flow rates and power levels. Axial profiles of those parameters were also measured, showing consistency with the adiabatic ambipolar fluid theory.

  12. Evolution of perturbations in an inflationary universe

    NASA Technical Reports Server (NTRS)

    Frieman, J. A.; Will, C. M.

    1982-01-01

    The evolution of inhomogeneous density perturbations in a model of the very early universe that is dominated for a time by a constant energy density of a false quantum-mechanical vacuum is analyzed. During this period, the universe inflates exponentially and supercools exponentially, until a phase transition back to the true vacuum reheats the matter and radiation. Focus is on the physically measurable, coordinate-independent modes of inhomogeneous perturbations of this model and it is found that all modes either are constant or are exponentially damped during the inflationary era.

  13. Transport Studies Using Perturbative Experiments

    SciTech Connect

    Hogeweij, G.M.D.

    2004-03-15

    By inducing a small electron temperature perturbation in a plasma in steady state one can in principle determine the conductive and convective components of the electron heat ux, and the associated thermal diffusivity and convection velocity. The same can be done for other plasma parameters, like density or ion temperature.In this paper experimental and analysis techniques are briey reviewed. The fundamental question whether the uxes are linear functions of the gradients or not is discussed. Experimental results are summarized, including so-called 'non-local' phenomena.

  14. Non-adiabatic exchange-correlation kernel for the non-equilibrium response of three-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Baral, Nisha; Turkowski, Volodymyr; Rahman, Talat S.

    2015-03-01

    We apply Dynamical Mean-Field Theory (DMFT) to calculate the non-adiabatic (frequency-dependent) exchange-correlation kernel for the three-dimensional Hubbard model. We analyze the dependence of the kernel on the electron doping, local Coulomb repulsion and frequency by using three different impurity solvers: Hubbard-I, Iterative Perturbation Theory (IPT) and Continuous-Time Quantum Monte Carlo (CT-QMC). From the calculated data, we obtain approximate analytical expressions for the kernel. We apply the exact numerical and analytical kernels to study the non-equilibrium response of the system for applied ultrafast laser pulse. We demonstrate that the non-adiabaticity of the kernel plays an important role in the system response; in particular, leading to new excited-states involved in the system dynamics. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  15. Perturbation growth in accreting filaments

    NASA Astrophysics Data System (ADS)

    Clarke, S. D.; Whitworth, A. P.; Hubber, D. A.

    2016-05-01

    We use smoothed particle hydrodynamic simulations to investigate the growth of perturbations in infinitely long filaments as they form and grow by accretion. The growth of these perturbations leads to filament fragmentation and the formation of cores. Most previous work on this subject has been confined to the growth and fragmentation of equilibrium filaments and has found that there exists a preferential fragmentation length-scale which is roughly four times the filament's diameter. Our results show a more complicated dispersion relation with a series of peaks linking perturbation wavelength and growth rate. These are due to gravo-acoustic oscillations along the longitudinal axis during the sub-critical phase of growth. The positions of the peaks in growth rate have a strong dependence on both the mass accretion rate onto the filament and the temperature of the gas. When seeded with a multiwavelength density power spectrum, there exists a clear preferred core separation equal to the largest peak in the dispersion relation. Our results allow one to estimate a minimum age for a filament which is breaking up into regularly spaced fragments, as well as an average accretion rate. We apply the model to observations of filaments in Taurus by Tafalla & Hacar and find accretion rates consistent with those estimated by Palmeirim et al.

  16. The Perturbed Puma Model

    NASA Astrophysics Data System (ADS)

    Rong, Shu-Jun; Liu, Qiu-Yu

    2012-04-01

    The puma model on the basis of the Lorentz and CPT violation may bring an economical interpretation to the conventional neutrinos oscillation and part of the anomalous oscillations. We study the effect of the perturbation to the puma model. In the case of the first-order perturbation which keeps the (23) interchange symmetry, the mixing matrix element Ue3 is always zero. The nonzero mixing matrix element Ue3 is obtained in the second-order perturbation that breaks the (23) interchange symmetry.

  17. Effects of EOS adiabat on hot spot dynamics

    NASA Astrophysics Data System (ADS)

    Cheng, Baolian; Kwan, Thomas; Wang, Yi-Ming; Batha, Steven

    2013-10-01

    Equation of state (EOS) and adiabat of the pusher play significant roles in the dynamics and formation of the hot spot of an ignition capsule. For given imploding energy, they uniquely determine the partition of internal energy, mass, and volume between the pusher and the hot spot. In this work, we apply the new scaling laws recently derived by Cheng et al. to the National Ignition Campaign (NIC) ignition capsules and study the impacts of EOS and adiabat of the pusher on the hot spot dynamics by using the EOS adiabat index as an adjustable model parameter. We compare our analysis with the NIC data, specifically, for shots N120321 and N120205, and with the numerical simulations of these shots. The predictions from our theoretical model are in good agreements with the NIC data when a hot adiabat was used for the pusher, and with code simulations when a cold adiabat was used for the pusher. Our analysis indicates that the actual adiabat of the pusher in NIC experiments may well be higher than the adiabat assumed in the simulations. This analysis provides a physical and systematic explanation to the ongoing disagreements between the NIC experimental results and the multi-dimensional numerical simulations. This work was performed under the auspices of the U.S. Department of Energy by the Los Alamos National Laboratory under contract number W-7405-ENG-36.

  18. Cosmological consequences of an adiabatic matter creation process

    NASA Astrophysics Data System (ADS)

    Nunes, Rafael C.; Pan, Supriya

    2016-06-01

    In this paper, we investigate the cosmological consequences of a continuous matter creation associated with the production of particles by the gravitational field acting on the quantum vacuum. To illustrate this, three phenomenological models are considered. An equivalent scalar field description is presented for each models. The effects on the cosmic microwave background power spectrum are analysed for the first time in the context of adiabatic matter creation cosmology. Further, we introduce a model independent treatment, Om, which depends only on the Hubble expansion rate and the cosmological redshift to distinguish any cosmological model from Λ cold dark matter by providing a null test for the cosmological constant, meaning that, for any two redshifts z1, z2, Om(z) is same, i.e. Om(z1) - Om(z2) = 0. Also, this diagnostic can differentiate between several cosmological models by indicating their quintessential/phantom behaviour without knowing the accurate value of the matter density, and the present value of the Hubble parameter. For our models, we find that particle production rate is inversely proportional to Om. Finally, the validity of the generalized second law of thermodynamics bounded by the apparent horizon has been examined.

  19. Shock compression and adiabatic release of a titaniferous mare basalt

    NASA Technical Reports Server (NTRS)

    Ahrens, T. J.; Jackson, I.; Jeanloz, R.

    1977-01-01

    A report is presented regarding the dynamic properties of a rock indigenous to the mare basins of the moon. The reported data were obtained in a study of sample 70215, a very titanium-rich basalt (58% pyroxene, 18% ilmenite, 15% plagioclase, 6% olivine, and 3% quartz by weight). This rock is probably representative of a class of the earliest mare-filling extrusive rocks which are exposed on the present lunar surface. Two series of experiments were performed. One set of experiments involved the measuring of Hugoniot and release adiabats to 15.7 GPa with a propellant gun apparatus. In the second set of experiments, a light-gas gun was employed to yield Hugoniot data at about 120 GPa and release states at about 90 GPa. Lunar basalt 70215 appears to be among the densest rocks in the present lunar sample collection, having a crystal density of 3.38 g/cu cm and a porosity of about 1.3%. The results of the experiments have important implications for both the degree of shock metamorphism expected for impact processes and the extent of ejecta transport on mare surfaces with high-titanium basalt composition.

  20. Optimality of partial adiabatic search and its circuit model

    NASA Astrophysics Data System (ADS)

    Mei, Ying; Sun, Jie; Lu, Songfeng; Gao, Chao

    2014-08-01

    In this paper, we first uncover a fact that a partial adiabatic quantum search with time complexity is in fact optimal, in which is the total number of elements in an unstructured database, and () of them are the marked ones(one) . We then discuss how to implement a partial adiabatic search algorithm on the quantum circuit model. From the implementing procedure on the circuit model, we can find out that the approximating steps needed are always in the same order of the time complexity of the adiabatic algorithm.

  1. Adiabatic control of atomic dressed states for transport and sensing

    NASA Astrophysics Data System (ADS)

    Cooper, N. R.; Rey, A. M.

    2015-08-01

    We describe forms of adiabatic transport that arise for dressed-state atoms in optical lattices. Focusing on the limit of weak tunnel-coupling between nearest-neighbor lattice sites, we explain how adiabatic variation of optical dressing allows control of atomic motion between lattice sites: allowing adiabatic particle transport in a direction that depends on the internal state, and force measurements via spectroscopic preparation and readout. For uniformly filled bands these systems display topologically quantized particle transport. An implementation of the dressing scheme using optical transitions in alkaline-earth atoms is discussed as well as its favorable features for precise force sensing.

  2. Cosmic microwave background anisotropies with mixed isocurvature perturbations.

    PubMed

    Trotta, R; Riazuelo, A; Durrer, R

    2001-12-01

    In the light of the recent high quality data of the cosmic microwave background anisotropies, several estimations of cosmological parameters have been published. We study to what extent these estimations depend on assumptions about the initial conditions of the cosmological perturbations, which are usually supposed to be adiabatic. We show that, for more generic initial conditions, not only the best fit values are very different but the allowed parameter range enlarges dramatically. This raises the question which cosmological information (matter content of the Universe vs physics of inflation) can be reliably extracted from these data.

  3. Topological States and Adiabatic Pumping in Quasicrystals

    NASA Astrophysics Data System (ADS)

    Kraus, Yaakov; Lahini, Yoav; Ringel, Zohar; Verbin, Mor; Zilberberg, Oded

    2012-02-01

    We find a connection between quasicrystals and topological matter, namely that quasicrystals exhibit non-trivial topological phases attributed to dimensions higher than their own [1]. Quasicrystals are materials which are neither ordered nor disordered, i.e. they exhibit only long-range order [2]. This long-range order is usually expressed as a projection from a higher dimensional ordered system. Recently, the unrelated discovery of Topological Insulators [3] defined a new type of materials classified by their topology. We show theoretically and experimentally using photonic lattices, that one-dimensional quasicrystals exhibit topologically-protected boundary states equivalent to the edge states of the two-dimensional Integer Quantum Hall Effect. We harness this property to adiabatically pump light across the quasicrystal, and generalize our results to higher dimensional systems. Hence, quasicrystals offer a new platform for the study of topological phases while their topology may better explain their surface properties.[4pt] [1] Y. E. Kraus, Y. Lahini, Z. Ringel, M. Verbin, and O. Zilberberg, arXiv:1109.5983 (2011).[0pt] [2] C. Janot, Quasicrystals (Clarendon, Oxford, 1994), 2nd ed.[0pt] [3] M. Z. Hasan and C. L. Kane, Rev. Mod. Phys. 82, 3045 (2010).

  4. On the persistence of adiabatic shear bands

    NASA Astrophysics Data System (ADS)

    Boakye-Yiadom, S.; Bassim, M. N.; Al-Ameeri, S.

    2012-08-01

    It is generally agreed that the initiation and development of adiabatic shear bands (ASBs) are manifestations of damage in metallic materials subjected to high strain rates and large strains as those due to impact in a Hopkinson Bar system. Models for evolution of these bands have been described in the literature. One question that has not received attention is how persistent these bands are and whether their presence and effect can be reversed or eliminated by using a process of thermal (heat treatment) or thermo-mechanical treatment that would relieve the material from the high strain associated with ASBs and their role as precursors to crack initiation and subsequent failure. Since ASBs are more prevalent and more defined in BCC metals including steels, a study was conducted to investigate the best conditions of generating ASBs in a heat treatable steel, followed by determining the best conditions for heat treatment of specimens already damaged by the presence of ASBs in order to relieve the strains due to ASBs and restore the material to an apparent microstructure without the "scars" due to the previous presence of ASBs. It was found that heat treatment achieves the curing from ASBs. This presentation documents the process undertaken to achieve this objective.

  5. Adiabatic quantum algorithm for search engine ranking.

    PubMed

    Garnerone, Silvano; Zanardi, Paolo; Lidar, Daniel A

    2012-06-01

    We propose an adiabatic quantum algorithm for generating a quantum pure state encoding of the PageRank vector, the most widely used tool in ranking the relative importance of internet pages. We present extensive numerical simulations which provide evidence that this algorithm can prepare the quantum PageRank state in a time which, on average, scales polylogarithmically in the number of web pages. We argue that the main topological feature of the underlying web graph allowing for such a scaling is the out-degree distribution. The top-ranked log(n) entries of the quantum PageRank state can then be estimated with a polynomial quantum speed-up. Moreover, the quantum PageRank state can be used in "q-sampling" protocols for testing properties of distributions, which require exponentially fewer measurements than all classical schemes designed for the same task. This can be used to decide whether to run a classical update of the PageRank. PMID:23003933

  6. Graph isomorphism and adiabatic quantum computing

    NASA Astrophysics Data System (ADS)

    Gaitan, Frank; Clark, Lane

    2014-03-01

    In the Graph Isomorphism (GI) problem two N-vertex graphs G and G' are given and the task is to determine whether there exists a permutation of the vertices of G that preserves adjacency and maps G --> G'. If yes (no), then G and G' are said to be isomorphic (non-isomorphic). The GI problem is an important problem in computer science and is thought to be of comparable difficulty to integer factorization. We present a quantum algorithm that solves arbitrary instances of GI, and which provides a novel approach to determining all automorphisms of a graph. The algorithm converts a GI instance to a combinatorial optimization problem that can be solved using adiabatic quantum evolution. Numerical simulation of the algorithm's quantum dynamics shows that it correctly distinguishes non-isomorphic graphs; recognizes isomorphic graphs; and finds the automorphism group of a graph. We also discuss the algorithm's experimental implementation and show how it can be leveraged to solve arbitrary instances of the NP-Complete Sub-Graph Isomorphism problem.

  7. Design of the PIXIE Adiabatic Demagnetization Refrigerators

    NASA Technical Reports Server (NTRS)

    Shirron, Peter J.; Kimball, Mark Oliver; Fixsen, Dale J.; Kogut, Alan J.; Li, Xiaoyi; DiPirro, Michael

    2012-01-01

    The Primordial Inflation Explorer (PIXIE) is a proposed mission to densely map the polarization of the cosmic microwave background. It will operate in a scanning mode from a sun-synchronous orbit, using low temperature detectors (at 0.1 K) and located inside a teslescope that is cooled to approximately 2.73 K - to match the background temperature. A mechanical cryocooler operating at 4.5 K establishes a low base temperature from which two adiabatic demagnetization refrigerator (ADR) assemblies will cool the telescope and detectors. To achieve continuous scanning capability, the ADRs must operate continuously. Complicating the design are two factors: 1) the need to systematically vary the temperature of various telescope components in order to separate the small polarization signal variations from those that may arise from temperature drifts and changing gradients within the telescope, and 2) the orbital and monthly variations in lunar irradiance into the telescope barrels. These factors require the telescope ADR to reject quasi-continuous heat loads of 2-3 millwatts, while maintaining a peak heat reject rate of less than 12 milliwatts. The detector heat load at 0.1 K is comparatively small at 1-2 microwatts. This paper will describe the 3-stage and 2-stage continuous ADRs that will be used to meet the cooling power and temperature stability requirements of the PIXIE detectors and telescope.

  8. Coverage dependent non-adiabaticity of CO on a copper surface

    SciTech Connect

    Omiya, Takuma; Arnolds, Heike

    2014-12-07

    We have studied the coverage-dependent energy transfer dynamics between hot electrons and CO on Cu(110) with femtosecond visible pump, sum frequency probe spectroscopy. We find that transients of the C–O stretch frequency display a red shift, which increases from 3 cm{sup −1} at 0.1 ML to 9 cm{sup −1} at 0.77 ML. Analysis of the transients reveals that the non-adiabatic coupling between the adsorbate vibrational motion and the electrons becomes stronger with increasing coverage. This trend requires the frustrated rotational mode to be the cause of the non-adiabatic behavior, even for relatively weak laser excitation of the adsorbate. We attribute the coverage dependence to both an increase in the adsorbate electronic density of states and an increasingly anharmonic potential energy surface caused by repulsive interactions between neighboring CO adsorbates. This work thus reveals adsorbate-adsorbate interactions as a new way to control adsorbate non-adiabaticity.

  9. Quasi-adiabatic dynamics of ions in a bifurcated current sheet

    SciTech Connect

    Kartsev, Yu. I.; Artemyev, A. V.; Malova, H. V. Zelenyi, L. M.

    2013-04-15

    The study is devoted to ion dynamics in bifurcated current sheets with a two-peak current-density distribution observed in the Earth's magnetotail and solar wind. The ion motion is described by a Hamiltonian system with two degrees of freedom. The presence of a small parameter {kappa} characterizing the ratio between the amplitudes of the normal and tangential magnetic field components allows one to separate variables into fast and slow ones and introduce the quasi-adiabatic invariant of motion I{sub z}. Conservation of this invariant makes it possible to analytically describe the dynamics of charged particles. Deviations of the particle dynamics from the quasi-adiabatic one, which are caused by the nonconservation of the quasi-adiabatic invariant, are investigated. The jump of the invariant {Delta}I{sub z} is shown to depend on the small parameter according to the power-law {Delta}I{sub z} {approx} {kappa}{sup h}, where the exponent h varies between unity and 3/4, depending on the level of current sheet bifurcation. The obtained dependence of {Delta}I{sub z} on {kappa} coincides with analytic expressions in the limiting cases of nonbifurcated and completely bifurcated current sheets.

  10. Vector and tensor contributions to the curvature perturbation at second order

    NASA Astrophysics Data System (ADS)

    Carrilho, Pedro; Malik, Karim A.

    2016-02-01

    We derive the evolution equation for the second order curvature perturbation using standard techniques of cosmological perturbation theory. We do this for different definitions of the gauge invariant curvature perturbation, arising from different splits of the spatial metric, and compare the expressions. The results are valid at all scales and include all contributions from scalar, vector and tensor perturbations, as well as anisotropic stress, with all our results written purely in terms of gauge invariant quantities. Taking the large-scale approximation, we find that a conserved quantity exists only if, in addition to the non-adiabatic pressure, the transverse traceless part of the anisotropic stress tensor is also negligible. We also find that the version of the gauge invariant curvature perturbation which is exactly conserved is the one defined with the determinant of the spatial part of the inverse metric.

  11. Adiabatic and Hamiltonian computing on a 2D lattice with simple two-qubit interactions

    NASA Astrophysics Data System (ADS)

    Lloyd, Seth; Terhal, Barbara M.

    2016-02-01

    We show how to perform universal Hamiltonian and adiabatic computing using a time-independent Hamiltonian on a 2D grid describing a system of hopping particles which string together and interact to perform the computation. In this construction, the movement of one particle is controlled by the presence or absence of other particles, an effective quantum field effect transistor that allows the construction of controlled-NOT and controlled-rotation gates. The construction translates into a model for universal quantum computation with time-independent two-qubit ZZ and XX+YY interactions on an (almost) planar grid. The effective Hamiltonian is arrived at by a single use of first-order perturbation theory avoiding the use of perturbation gadgets. The dynamics and spectral properties of the effective Hamiltonian can be fully determined as it corresponds to a particular realization of a mapping between a quantum circuit and a Hamiltonian called the space-time circuit-to-Hamiltonian construction. Because of the simple interactions required, and because no higher-order perturbation gadgets are employed, our construction is potentially realizable using superconducting or other solid-state qubits.

  12. Investigations of Probe Induced Perturbations in a Hall Thruster

    SciTech Connect

    D. Staack; Y. Raitses; N.J. Fisch

    2002-08-12

    An electrostatic probe used to measure spatial plasma parameters in a Hall thruster generates perturbations of the plasma. These perturbations are examined by varying the probe material, penetration distance, residence time, and the nominal thruster conditions. The study leads us to recommendations for probe design and thruster operating conditions to reduce discharge perturbations, including metal shielding of the probe insulator and operation of the thruster at lower densities.

  13. Ion thermal effects on slow mode solitary waves in plasmas with two adiabatic ion species

    SciTech Connect

    Nsengiyumva, F. Hellberg, M. A. Mace, R. L.

    2015-09-15

    Using both the Sagdeev and Korteweg-de Vries (KdV) methods, ion thermal effects on slow mode ion acoustic solitons and double layers are investigated in a plasma with two adiabatic positive ion species. It is found that reducing the gap between the two ion thermal speeds by increasing the relative temperature of the cool ions increases the typical soliton/double layer speeds for all values of the ion-ion density ratio and reduces the range in the density ratio that supports double layers. The effect of increasing the relative cool ion temperature on the soliton/double layer amplitudes depends on the relative densities. For lower values of the ion density ratio, an increase in cool ion temperature leads to a significant decrease in soliton/double layer amplitude, so one may find that solitons of all permissible speeds lie within the range of KdV theory.

  14. Adiabaticity and spectral splits in collective neutrino transformations

    SciTech Connect

    Raffelt, Georg G.; Smirnov, Alexei Yu.

    2007-12-15

    Neutrinos streaming off a supernova core transform collectively by neutrino-neutrino interactions, leading to 'spectral splits' where an energy E{sub split} divides the transformed spectrum sharply into parts of almost pure but different flavors. We present a detailed description of the spectral-split phenomenon which is conceptually and quantitatively understood in an adiabatic treatment of neutrino-neutrino effects. Central to this theory is a self-consistency condition in the form of two sum rules (integrals over the neutrino spectra that must equal certain conserved quantities). We provide explicit analytic and numerical solutions for various neutrino spectra. We introduce the concept of the adiabatic reference frame and elaborate on the relative adiabatic evolution. Violating adiabaticity leads to the spectral split being 'washed out'. The sharpness of the split appears to be represented by a surprisingly universal function.

  15. Adiabatic rotation, quantum search, and preparation of superposition states

    NASA Astrophysics Data System (ADS)

    Siu, M. Stewart

    2007-06-01

    We introduce the idea of using adiabatic rotation to generate superpositions of a large class of quantum states. For quantum computing this is an interesting alternative to the well-studied “straight line” adiabatic evolution. In ways that complement recent results, we show how to efficiently prepare three types of states: Kitaev’s toric code state, the cluster state of the measurement-based computation model, and the history state used in the adiabatic simulation of a quantum circuit. We also show that the method, when adapted for quantum search, provides quadratic speedup as other optimal methods do with the advantages that the problem Hamiltonian is time independent and that the energy gap above the ground state is strictly nondecreasing with time. Likewise the method can be used for optimization as an alternative to the standard adiabatic algorithm.

  16. Coherent transfer by adiabatic passage in two-dimensional lattices

    SciTech Connect

    Longhi, Stefano

    2014-09-15

    Coherent tunneling by adiabatic passage (CTAP) is a well-established technique for robust spatial transport of quantum particles in linear chains. Here we introduce two exactly-solvable models where the CTAP protocol can be extended to two-dimensional lattice geometries. Such bi-dimensional lattice models are synthesized from time-dependent second-quantization Hamiltonians, in which the bosonic field operators evolve adiabatically like in an ordinary three-level CTAP scheme thus ensuring adiabatic passage in Fock space. - Highlights: • New ways of coherent transport by adiabatic passage (CTAP) in 2D lattices. • Synthesis of exactly-solvable 2D lattices from a simple three-well model. • CTAP in 2D lattices can be exploited for quantum state transfer.

  17. Ultrafast stimulated Raman parallel adiabatic passage by shaped pulses

    SciTech Connect

    Dridi, G.; Guerin, S.; Hakobyan, V.; Jauslin, H. R.; Eleuch, H.

    2009-10-15

    We present a general and versatile technique of population transfer based on parallel adiabatic passage by femtosecond shaped pulses. Their amplitude and phase are specifically designed to optimize the adiabatic passage corresponding to parallel eigenvalues at all times. We show that this technique allows the robust adiabatic population transfer in a Raman system with the total pulse area as low as 3{pi}, corresponding to a fluence of one order of magnitude below the conventional stimulated Raman adiabatic passage process. This process of short duration, typically picosecond and subpicosecond, is easily implementable with the modern pulse shaper technology and opens the possibility of ultrafast robust population transfer with interesting applications in quantum information processing.

  18. Adiabatic invariant value variation under shortwave band subcritical conditions

    NASA Astrophysics Data System (ADS)

    Svistunov, K. V.; Tinin, M. V.

    1985-04-01

    The possibility of significant variations of the adiabatic invariant is examined for the propagation of radio waves in an irregular Earth-ionosphere waveguide with a parabolic dependence of permittivity on height. Numerical and analytical results indicate that nonexponential deviations of the adiabatic invariant can occur not only when the characteristic size of horizontal irregularity decreases (e.g., during resonant beam excitation) but also in quasi-critical conditions and for smoothly irregular waveguides.

  19. Shortcuts to adiabaticity for non-Hermitian systems

    SciTech Connect

    Ibanez, S.; Martinez-Garaot, S.; Torrontegui, E.; Muga, J. G.; Chen Xi

    2011-08-15

    Adiabatic processes driven by non-Hermitian, time-dependent Hamiltonians may be sped up by generalizing inverse engineering techniques based on counter-diabatic (transitionless driving) algorithms or on dynamical invariants. We work out the basic theory and examples described by two-level Hamiltonians: the acceleration of rapid adiabatic passage with a decaying excited level and of the dynamics of a classical particle on an expanding harmonic oscillator.

  20. Non-adiabatic, superfast passage to resonance: an alternative to pulsed fourier transform for absorption line shapes

    NASA Astrophysics Data System (ADS)

    Segel, S. L.; Creel, R. B.; Torgeson, D. R.

    1983-12-01

    We describe the theory, practice and experimental results of a continuous wave (CW) resonance technique which we call non-adiabatic superfast passage (NASP). NASP signal to noise per unit time (SNT) is better than pulsed Fourier transform spectrometers (PFTS) and far better than the conventional CW slow passage NMR using field modulation, lock-in amplifiers and signal averaging techniques. It is most useful in situations of long spin-lattice relaxation time and particularly those cases where the line shape is composed of narrow and broad components, as in a typical second-order quadrupolar perturbed magnetic resonance line shape.

  1. Polarization and adiabatic pumping in inhomogeneous crystals.

    PubMed

    Xiao, Di; Shi, Junren; Clougherty, Dennis P; Niu, Qian

    2009-02-27

    We develop a general theory of electric polarization in crystals with inhomogeneous order. We show that the inhomogeneity-induced polarization can be classified into two parts: a perturbative contribution stemming from a correction to the basis functions and a topological contribution described in terms of the Chern-Simons form of the Berry gauge fields. The latter is determined up to an uncertainty quantum, which is the second Chern number in appropriate units. Our theory provides an exhaustive link between microscopic models and the macroscopic polarization. PMID:19257787

  2. Polarization and Adiabatic Pumping in Inhomogeneous Crystals

    NASA Astrophysics Data System (ADS)

    Xiao, Di; Shi, Junren; Clougherty, Dennis P.; Niu, Qian

    2009-02-01

    We develop a general theory of electric polarization in crystals with inhomogeneous order. We show that the inhomogeneity-induced polarization can be classified into two parts: a perturbative contribution stemming from a correction to the basis functions and a topological contribution described in terms of the Chern-Simons form of the Berry gauge fields. The latter is determined up to an uncertainty quantum, which is the second Chern number in appropriate units. Our theory provides an exhaustive link between microscopic models and the macroscopic polarization.

  3. In-flight Density Profiles and Areal Density Non-uniformities of ICF Implosions

    NASA Astrophysics Data System (ADS)

    Tommasini, Riccardo

    2014-10-01

    Implosion efficiency depends on keeping the in-flight ablator and fuel as close as possible to spherical at all times while maintaining the required implosion velocity and in-flight aspect ratio. Asymmetries and areal density non-uniformities seeded by time-dependent drive variations and target imperfections grow in time as the capsule implodes, with growth rates that are amplified by instabilities. One way to diagnose them is by imaging the self-emission from the implosion core. However this technique, besides only providing direct information of the shape of the hot emission region at final assembly, presents complications due to competition between emission gradients and reabsorption. Time resolved radiographic imaging, being insensitive to this effect, is therefore an important tool for diagnosing the ablator and the shell in inertial confinement fusion (ICF) implosions. Experiments aimed at measuring the density, areal density and areal density asymmetries of the shell in ICF implosions have been performed using two different radiography techniques on the National Ignition Facility. We will report the results from both 1D and 2D geometries using slit and pinhole imaging coupled to area backlighting and as close as 150 ps to peak compression. We will focus in particular on comparisons of the in-flight shell thicknesses and ablation front scale lengths between low- and high-adiabat implosions, and the perturbations on areal density seeded both by time dependent drive asymmetries and by the membranes used to hold the capsule within the hohlraum in indirect drive ICF targets. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  4. Perturbations for transient acceleration

    SciTech Connect

    Vargas, Cristofher Zuñiga; Zimdahl, Winfried; Hipólito-Ricaldi, Wiliam S. E-mail: hipolito@ceunes.ufes.br

    2012-04-01

    According to the standard ΛCDM model, the accelerated expansion of the Universe will go on forever. Motivated by recent observational results, we explore the possibility of a finite phase of acceleration which asymptotically approaches another period of decelerated expansion. Extending an earlier study on a corresponding homogeneous and isotropic dynamics, in which interactions between dark matter and dark energy are crucial, the present paper also investigates the dynamics of the matter perturbations both on the Newtonian and General Relativistic (GR) levels and quantifies the potential relevance of perturbations of the dark-energy component. In the background, the model is tested against the Supernova type Ia (SNIa) data of the Constitution set and on the perturbative level against growth rate data, among them those of the WiggleZ survey, and the data of the 2dFGRS project. Our results indicate that a transient phase of accelerated expansion is not excluded by current observations.

  5. Vortex perturbation dynamics

    NASA Technical Reports Server (NTRS)

    Criminale, W. O.; Lasseigne, D. G.; Jackson, T. L.

    1995-01-01

    An initial value approach is used to examine the dynamics of perturbations introduced into a vortex under strain. Both the basic vortex considered and the perturbations are taken as fully three-dimensional. An explicit solution for the time evolution of the vorticity perturbations is given for arbitrary initial vorticity. Analytical solutions for the resulting velocity components are found when the initial vorticity is assumed to be localized. For more general initial vorticity distributions, the velocity components are determined numerically. It is found that the variation in the radial direction of the initial vorticity disturbance is the most important factor influencing the qualitative behavior of the solutions. Transient growth in the magnitude of the velocity components is found to be directly attributable to the compactness of the initial vorticity.

  6. Influence of heavy modes on perturbations in multiple field inflation

    SciTech Connect

    Gao, Xian; Langlois, David; Mizuno, Shuntaro E-mail: langlois@apc.univ-paris7.fr

    2012-10-01

    We investigate linear cosmological perturbations in multiple field inflationary models where some of the directions are light while others are heavy (with respect to the Hubble parameter). By integrating out the massive degrees of freedom, we determine the multi-dimensional effective theory for the light degrees of freedom and give explicitly the propagation matrix that replaces the effective sound speed of the one-dimensional case. We then examine in detail the consequences of a sudden turn along the inflationary trajectory, in particular the possible breakdown of the low energy effective theory in case the heavy modes are excited. Resorting to a new basis in field space, instead of the usual adiabatic/entropic basis, we study the evolution of the perturbations during the turn. In particular, we compute the power spectrum and compare with the result obtained from the low energy effective theory.

  7. Adiabatic Formation of a Matched-beam Distribution for an Alternating-gradient Quadrupole Lattice

    SciTech Connect

    Dorf, Mikhail A.; Davidson, Ronald C.; Startsev, Edward A.; Qin, Hong

    2010-02-02

    The formation of a quasiequilibrium beam distribution matched to an alternating-gradient quadrupole focusing lattice by means of the adiabatic turn-on of the oscillating focusing field is studied numerically using particle-in-cell simulations. Quiescent beam propagation over several hundred lattice periods is demonstrated for a broad range of beam intensities and vacuum phase advances describing the strength of the oscillating focusing field. Properties of the matched-beam distribution are investigated. In particular, self-similar evolution of the beam density profile is observed over a wide range of system parameters. The numerical simulations are performed using the WARP particle-in-cell code.

  8. Calculating work in adiabatic two-level quantum Markovian master equations: a characteristic function method.

    PubMed

    Liu, Fei

    2014-09-01

    We present a characteristic function method to calculate the probability density functions of the inclusive work in adiabatic two-level quantum Markovian master equations. These systems are steered by some slowly varying parameters and the dissipations may depend on time. Our theory is based on the interpretation of the quantum jump for the master equations. In addition to the calculation, we also find that the fluctuation properties of the work can be described by the symmetry of the characteristic functions, which is exactly the same as in the case of isolated systems. A periodically driven two-level model is used to demonstrate the method. PMID:25314409

  9. Comment on 'Stimulated Raman adiabatic passage from an atomic to a molecular Bose-Einstein condensate'

    SciTech Connect

    Mackie, Matt; Collin, Anssi; Javanainen, Juha

    2005-01-01

    Collective two-color photoassociation of a freely interacting {sup 87}Rb Bose-Einstein condensate is theoretically examined, focusing on stimulated Raman adiabatic passage (STIRAP) from an atomic to a stable molecular condensate. In particular, Drummond et al. [Phys. Rev. A. 65, 063619 (2002)] have predicted that particle-particle interactions can limit the efficiency of collective atom-molecule STIRAP, and that optimizing the laser parameters can partially overcome this limitation. We suggest that the molecular conversion efficiency can be further improved by treating the initial condensate density as an optimization parameter.

  10. Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4 and Na2IrO3: Density functional, perturbation theory and Madelung potential analyses

    DOE PAGES

    Gordon, Elijah E.; Xiang, Hongjun; Koehler, Jurgen; Whangbo, Myung -Hwan

    2016-03-01

    The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4 and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of DFT calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3,more » both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir4+ spin orientation of Na2IrO3 should have nonzero components along the c- and a-axes directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir4+ ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir4+ ions are less negative in Na2IrO3 than in Sr3NiIrO6, Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. As a result, the spin-orbital entanglement for the 5d spin-half ions Ir4+ is not as strong as has been assumed lately.« less

  11. Cosmological perturbations in antigravity

    NASA Astrophysics Data System (ADS)

    Oltean, Marius; Brandenberger, Robert

    2014-10-01

    We compute the evolution of cosmological perturbations in a recently proposed Weyl-symmetric theory of two scalar fields with oppositely signed conformal couplings to Einstein gravity. It is motivated from the minimal conformal extension of the standard model, such that one of these scalar fields is the Higgs while the other is a new particle, the dilaton, introduced to make the Higgs mass conformally symmetric. At the background level, the theory admits novel geodesically complete cyclic cosmological solutions characterized by a brief period of repulsive gravity, or "antigravity," during each successive transition from a big crunch to a big bang. For simplicity, we consider scalar perturbations in the absence of anisotropies, with potential set to zero and without any radiation. We show that despite the necessarily wrong-signed kinetic term of the dilaton in the full action, these perturbations are neither ghostlike nor tachyonic in the limit of strongly repulsive gravity. On this basis, we argue—pending a future analysis of vector and tensor perturbations—that, with respect to perturbative stability, the cosmological solutions of this theory are viable.

  12. Scalar cosmological perturbations

    NASA Astrophysics Data System (ADS)

    Uggla, Claes; Wainwright, John

    2012-05-01

    Scalar perturbations of Friedmann-Lemaitre cosmologies can be analyzed in a variety of ways using Einstein’s field equations, the Ricci and Bianchi identities, or the conservation equations for the stress-energy tensor, and possibly introducing a timelike reference congruence. The common ground is the use of gauge invariants derived from the metric tensor, the stress-energy tensor, or from vectors associated with a reference congruence, as basic variables. Although there is a complication in that there is no unique choice of gauge invariants, we will show that this can be used to advantage. With this in mind our first goal is to present an efficient way of constructing dimensionless gauge invariants associated with the tensors that are involved, and of determining their inter-relationships. Our second goal is to give a unified treatment of the various ways of writing the governing equations in dimensionless form using gauge-invariant variables, showing how simplicity can be achieved by a suitable choice of variables and normalization factors. Our third goal is to elucidate the connection between the metric-based approach and the so-called 1 + 3 gauge-invariant approach to cosmological perturbations. We restrict our considerations to linear perturbations, but our intent is to set the stage for the extension to second-order perturbations.

  13. Nonequilibrium Statistical Mechanics for Adiabatic Piston Problem

    NASA Astrophysics Data System (ADS)

    Itami, Masato; Sasa, Shin-ichi

    2015-01-01

    We consider the dynamics of a freely movable wall of mass with one degree of freedom that separates a long tube into two regions, each of which is filled with rarefied gas particles of mass . The gases are initially prepared at equal pressure but different temperatures, and we assume that the pressure and temperature of gas particles before colliding with the wall are kept constant over time in each region. We elucidate the energetics of the setup on the basis of the local detailed balance condition, and then derive the expression for the heat transferred from each gas to the wall. Furthermore, by using the condition, we obtain the linear response formula for the steady velocity of the wall and steady energy flux through the wall. By using perturbation expansion in a small parameter , we calculate the steady velocity up to order.

  14. Extended adiabatic blast waves and a model of the soft X-ray background. [interstellar matter

    NASA Technical Reports Server (NTRS)

    Cox, D. P.; Anderson, P. R.

    1981-01-01

    An analytical approximation is generated which follows the development of an adiabatic spherical blast wave in a homogeneous ambient medium of finite pressure. An analytical approximation is also presented for the electron temperature distribution resulting from coulomb collisional heating. The dynamical, thermal, ionization, and spectral structures are calculated for blast waves of energy E sub 0 = 5 x 10 to the 50th power ergs in a hot low-density interstellar environment. A formula is presented for estimating the luminosity evolution of such explosions. The B and C bands of the soft X-ray background, it is shown, are reproduced by such a model explosion if the ambient density is about .000004 cm, the blast radius is roughly 100 pc, and the solar system is located inside the shocked region. Evolution in a pre-existing cavity with a strong density gradient may, it is suggested, remove both the M band and OVI discrepancies.

  15. Perturbative nature of color superconductivity

    SciTech Connect

    Brown, William E.; Liu, James T.; Ren, Hai-cang

    2000-06-01

    Color superconductivity is a possible phase of high density QCD. We present a systematic derivation of the transition temperature T{sub C} from the QCD Lagrangian through study of the di-quark proper vertex. With this approach, we confirm the dependence of T{sub C} on the coupling g, namely T{sub C}{approx}{mu}g{sup -5}e{sup -{kappa}}{sup /g}, previously obtained from the one-gluon exchange approximation in the superconducting phase. The diagrammatic approach we employ allows us to examine the perturbative expansion of the vertex and the propagators. We find an additional O(1) contribution to the prefactor of the exponential from the one-loop quark self energy and that the other one-loop radiative contributions and the two gluon exchange vertex contribution are subleading. (c) 2000 The American Physical Society.

  16. Perturbation analyses of intermolecular interactions.

    PubMed

    Koyama, Yohei M; Kobayashi, Tetsuya J; Ueda, Hiroki R

    2011-08-01

    Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to the conformational fluctuations are complicated. To identify important intermolecular interactions with regard to the conformational fluctuations, we develop herein (i) distance-independent and (ii) distance-dependent perturbation analyses of the intermolecular interactions. We show that these perturbation analyses can be realized by performing (i) a principal component analysis using conditional expectations of truncated and shifted intermolecular potential energy terms and (ii) a functional principal component analysis using products of intermolecular forces and conditional cumulative densities. We refer to these analyses as intermolecular perturbation analysis (IPA) and distance-dependent intermolecular perturbation analysis (DIPA), respectively. For comparison of the IPA and the DIPA, we apply them to the alanine dipeptide isomerization in explicit water. Although the first IPA principal components discriminate two states (the α state and PPII (polyproline II) + β states) for larger cutoff length, the separation between the PPII state and the β state is unclear in the second IPA principal components. On the other hand, in the large cutoff value, DIPA eigenvalues converge faster than that for IPA and the top two DIPA principal components clearly identify the three states. By using the DIPA biplot, the contributions of the dipeptide-water interactions to each state are analyzed systematically. Since the DIPA improves the state identification and the convergence rate with retaining distance information, we conclude that the DIPA is a more practical method compared with the

  17. Perturbation analyses of intermolecular interactions

    NASA Astrophysics Data System (ADS)

    Koyama, Yohei M.; Kobayashi, Tetsuya J.; Ueda, Hiroki R.

    2011-08-01

    Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to the conformational fluctuations are complicated. To identify important intermolecular interactions with regard to the conformational fluctuations, we develop herein (i) distance-independent and (ii) distance-dependent perturbation analyses of the intermolecular interactions. We show that these perturbation analyses can be realized by performing (i) a principal component analysis using conditional expectations of truncated and shifted intermolecular potential energy terms and (ii) a functional principal component analysis using products of intermolecular forces and conditional cumulative densities. We refer to these analyses as intermolecular perturbation analysis (IPA) and distance-dependent intermolecular perturbation analysis (DIPA), respectively. For comparison of the IPA and the DIPA, we apply them to the alanine dipeptide isomerization in explicit water. Although the first IPA principal components discriminate two states (the α state and PPII (polyproline II) + β states) for larger cutoff length, the separation between the PPII state and the β state is unclear in the second IPA principal components. On the other hand, in the large cutoff value, DIPA eigenvalues converge faster than that for IPA and the top two DIPA principal components clearly identify the three states. By using the DIPA biplot, the contributions of the dipeptide-water interactions to each state are analyzed systematically. Since the DIPA improves the state identification and the convergence rate with retaining distance information, we conclude that the DIPA is a more practical method compared with the

  18. Liouvillian perturbations of black holes

    NASA Astrophysics Data System (ADS)

    Couch, W. E.; Holder, C. L.

    2007-10-01

    We apply the well-known Kovacic algorithm to find closed form, i.e., Liouvillian solutions, to the differential equations governing perturbations of black holes. Our analysis includes the full gravitational perturbations of Schwarzschild and Kerr, the full gravitational and electromagnetic perturbations of Reissner-Nordstrom, and specialized perturbations of the Kerr-Newman geometry. We also include the extreme geometries. We find all frequencies ω, in terms of black hole parameters and an integer n, which allow Liouvillian perturbations. We display many classes of black hole parameter values and their corresponding Liouvillian perturbations, including new closed-form perturbations of Kerr and Reissner-Nordstrom. We also prove that the only type 1 Liouvillian perturbations of Schwarzschild are the known algebraically special ones and that type 2 Liouvillian solutions do not exist for extreme geometries. In cases where we do not prove the existence or nonexistence of Liouvillian perturbations we obtain sequences of Diophantine equations on which decidability rests.

  19. Non-Gaussian isocurvature perturbations in dark radiation

    SciTech Connect

    Kawakami, Etsuko; Kawasaki, Masahiro; Miyamoto, Koichi; Nakayama, Kazunori; Sekiguchi, Toyokazu E-mail: kawasaki@icrr.u-tokyo.ac.jp E-mail: kazunori@hep-th.phys.s.u-tokyo.ac.jp

    2012-07-01

    We study non-Gaussian properties of the isocurvature perturbations in the dark radiation, which consists of the active neutrinos and extra light species, if exist. We first derive expressions for the bispectra of primordial perturbations which are mixtures of curvature and dark radiation isocurvature perturbations. We also discuss CMB bispectra produced in our model and forecast CMB constraints on the non-linearity parameters based on the Fisher matrix analysis. Some concrete particle physics motivated models are presented in which large isocurvature perturbations in extra light species and/or the neutrino density isocurvature perturbations as well as their non-Gaussianities may be generated. Thus detections of non-Gaussianity in the dark radiation isocurvature perturbation will give us an opportunity to identify the origin of extra light species and lepton asymmetry.

  20. LETTERS AND COMMENTS: Adiabatic process reversibility: microscopic and macroscopic views

    NASA Astrophysics Data System (ADS)

    Anacleto, Joaquim; Pereira, Mário G.

    2009-05-01

    The reversibility of adiabatic processes was recently addressed by two publications. In the first (Miranda 2008 Eur. J. Phys. 29 937-43), an equation was derived relating the initial and final volumes and temperatures for adiabatic expansions of an ideal gas, using a microscopic approach. In that relation the parameter r accounts for the process reversibility, ranging between 0 and 1, which corresponds to the free and reversible expansion, respectively. In the second (Anacleto and Pereira 2009 Eur. J. Phys. 30 177-83), the authors have shown that thermodynamics can effectively and efficiently be used to obtain the general law for adiabatic processes carried out by an ideal gas, including compressions, for which r \\ge 1. The present work integrates and extends the aforementioned studies, providing thus further insights into the analysis of the adiabatic process. It is shown that Miranda's work is wholly valid for compressions. In addition, it is demonstrated that the adiabatic reversibility coefficient given in terms of the piston velocity and the root mean square velocity of the gas particles is equivalent to the macroscopic description, given just by the quotient between surroundings and system pressure values.

  1. Adiabatic continuity, wave-function overlap, and topological phase transitions

    NASA Astrophysics Data System (ADS)

    Gu, Jiahua; Sun, Kai

    2016-09-01

    In this paper, we study the relation between wave-function overlap and adiabatic continuity in gapped quantum systems. We show that for two band insulators, a scalar function can be defined in the momentum space, which characterizes the wave-function overlap between Bloch states in the two insulators. If this overlap is nonzero for all momentum points in the Brillouin zone, these two insulators are adiabatically connected, i.e., we can deform one insulator into the other smoothly without closing the band gap. In addition, we further prove that this adiabatic path preserves all the symmetries of the insulators. The existence of such an adiabatic path implies that two insulators with nonzero wave-function overlap belong to the same topological phase. This relation, between adiabatic continuity and wave-function overlap, can be further generalized to correlated systems. The generalized relation cannot be applied to study generic many-body systems in the thermodynamic limit, because of the orthogonality catastrophe. However, for certain interacting systems (e.g., quantum Hall systems), the quantum wave-function overlap can be utilized to distinguish different quantum states. Experimental implications are also discussed.

  2. Adiabatic condition and the quantum hitting time of Markov chains

    SciTech Connect

    Krovi, Hari; Ozols, Maris; Roland, Jeremie

    2010-08-15

    We present an adiabatic quantum algorithm for the abstract problem of searching marked vertices in a graph, or spatial search. Given a random walk (or Markov chain) P on a graph with a set of unknown marked vertices, one can define a related absorbing walk P{sup '} where outgoing transitions from marked vertices are replaced by self-loops. We build a Hamiltonian H(s) from the interpolated Markov chain P(s)=(1-s)P+sP{sup '} and use it in an adiabatic quantum algorithm to drive an initial superposition over all vertices to a superposition over marked vertices. The adiabatic condition implies that, for any reversible Markov chain and any set of marked vertices, the running time of the adiabatic algorithm is given by the square root of the classical hitting time. This algorithm therefore demonstrates a novel connection between the adiabatic condition and the classical notion of hitting time of a random walk. It also significantly extends the scope of previous quantum algorithms for this problem, which could only obtain a full quadratic speedup for state-transitive reversible Markov chains with a unique marked vertex.

  3. Corrections to the Born-Oppenheimer approximation by means of perturbation theory

    SciTech Connect

    Fernandez, F.M. )

    1994-10-01

    We develop an efficient method for the calculation of corrections to the Born-Oppenheimer approximation by means of perturbation theory. The perturbation terms through sixth order in the small parameter [kappa]=([ital m]/[ital M])[sup 1/4], where [ital m] and [ital M] are, respectively, electronic and nuclear masses, allow the construction of an effective vibrational Hamiltonian that takes into account adiabatic and nonadiabatic effects. The latter is negative and linearly dependent on the vibrational quantum numbers. We illustrate the application of the main equations and verify the general results by means of an exactly solvable model of two coupled harmonic oscillators.

  4. Particle conservation in dynamical density functional theory

    NASA Astrophysics Data System (ADS)

    de las Heras, Daniel; Brader, Joseph M.; Fortini, Andrea; Schmidt, Matthias

    2016-06-01

    We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand canonical initial conditions. We obtain the canonical free energy functional, which yields the adiabatic interparticle forces of overdamped Brownian motion. Using an exact and one of the most advanced approximate hard core free energy functionals, we obtain excellent agreement with simulations. The theory applies to finite systems in and out of equilibrium.

  5. Particle conservation in dynamical density functional theory.

    PubMed

    de Las Heras, Daniel; Brader, Joseph M; Fortini, Andrea; Schmidt, Matthias

    2016-06-22

    We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand canonical initial conditions. We obtain the canonical free energy functional, which yields the adiabatic interparticle forces of overdamped Brownian motion. Using an exact and one of the most advanced approximate hard core free energy functionals, we obtain excellent agreement with simulations. The theory applies to finite systems in and out of equilibrium.

  6. Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference.

    PubMed

    Chen, Zhenhua; Chen, Xun; Ying, Fuming; Gu, Junjing; Zhang, Huaiyu; Wu, Wei

    2014-10-01

    Using the formulas and techniques developed in Papers I and II of this series, the recently developed second-order perturbation theory based on a valence bond self-consistent field reference function (VBPT2) has been extended by using the internally contracted correction wave function. This ansatz strongly reduces the size of the interaction space compared to the uncontracted wave function and thus improves the capability of the VBPT2 method dramatically. Test calculations show that internally contracted VBPT2 using only a small number of reference valence bond functions, can give results as accuracy as the VBPT2 method and other more sophisticated methods such as full configuration interaction and multireference configuration interaction. PMID:25296795

  7. Cosmological perturbations on the phantom brane

    NASA Astrophysics Data System (ADS)

    Bag, Satadru; Viznyuk, Alexander; Shtanov, Yuri; Sahni, Varun

    2016-07-01

    We obtain a closed system of equations for scalar perturbations in a multi-component braneworld. Our braneworld possesses a phantom-like equation of state at late times, weff < ‑1, but no big-rip future singularity. In addition to matter and radiation, the braneworld possesses a new effective degree of freedom—the `Weyl fluid' or `dark radiation'. Setting initial conditions on super-Hubble spatial scales at the epoch of radiation domination, we evolve perturbations of radiation, pressureless matter and the Weyl fluid until the present epoch. We observe a gradual decrease in the amplitude of the Weyl-fluid perturbations after Hubble-radius crossing, which results in a negligible effect of the Weyl fluid on the evolution of matter perturbations on spatial scales relevant for structure formation. Consequently, the quasi-static approximation of Koyama and Maartens provides a good fit to the exact results during the matter-dominated epoch. We find that the late-time growth of density perturbations on the brane proceeds at a faster rate than in ΛCDM. Additionally, the gravitational potentials Φ and Ψ evolve differently on the brane than in ΛCDM, for which Φ = Ψ. On the brane, by contrast, the ratio Φ/Ψ exceeds unity during the late matter-dominated epoch (z lesssim 50). These features emerge as smoking gun tests of phantom brane cosmology and allow predictions of this scenario to be tested against observations of galaxy clustering and large-scale structure.

  8. Cosmological perturbations on the phantom brane

    NASA Astrophysics Data System (ADS)

    Bag, Satadru; Viznyuk, Alexander; Shtanov, Yuri; Sahni, Varun

    2016-07-01

    We obtain a closed system of equations for scalar perturbations in a multi-component braneworld. Our braneworld possesses a phantom-like equation of state at late times, weff < -1, but no big-rip future singularity. In addition to matter and radiation, the braneworld possesses a new effective degree of freedom—the `Weyl fluid' or `dark radiation'. Setting initial conditions on super-Hubble spatial scales at the epoch of radiation domination, we evolve perturbations of radiation, pressureless matter and the Weyl fluid until the present epoch. We observe a gradual decrease in the amplitude of the Weyl-fluid perturbations after Hubble-radius crossing, which results in a negligible effect of the Weyl fluid on the evolution of matter perturbations on spatial scales relevant for structure formation. Consequently, the quasi-static approximation of Koyama and Maartens provides a good fit to the exact results during the matter-dominated epoch. We find that the late-time growth of density perturbations on the brane proceeds at a faster rate than in ΛCDM. Additionally, the gravitational potentials Φ and Ψ evolve differently on the brane than in ΛCDM, for which Φ = Ψ. On the brane, by contrast, the ratio Φ/Ψ exceeds unity during the late matter-dominated epoch (z lesssim 50). These features emerge as smoking gun tests of phantom brane cosmology and allow predictions of this scenario to be tested against observations of galaxy clustering and large-scale structure.

  9. Mixing at shocked interfaces with known perturbations

    NASA Astrophysics Data System (ADS)

    Cook, Andrew; Weber, Chris; Bonazza, Riccardo; Cabot, Bill

    2012-11-01

    We derive a growth-rate model for the Richtmyer-Meshkov mixing layer, given arbitrary but known initial conditions. The initial growth rate is determined by the net mass flux through the center plane of the perturbed interface immediately after shock passage. The net mass flux is determined by the correlation between the post-shock density and streamwise velocity. The post-shock density field is computed from the known initial perturbations and the shock jump conditions. The streamwise velocity is computed via Biot-Savart integration of the vorticity field. The vorticity deposited by the shock is obtained from the baroclinic torque with an impulsive acceleration. Using the initial growth rate and characteristic perturbation wavelength as scaling factors, the model collapses growth rates over a broad range of Mach numbers, Atwood numbers and perturbation types. The mixing layer at late times exhibits a power-law growth with an average exponent of theta=0.23. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Additional support was provided to the University of Wisconsin by U.S. DOE Grant No. DE-FG52-06NA26196.

  10. Aspects of perturbative unitarity

    NASA Astrophysics Data System (ADS)

    Anselmi, Damiano

    2016-07-01

    We reconsider perturbative unitarity in quantum field theory and upgrade several arguments and results. The minimum assumptions that lead to the largest time equation, the cutting equations and the unitarity equation are identified. Using this knowledge and a special gauge, we give a new, simpler proof of perturbative unitarity in gauge theories and generalize it to quantum gravity, in four and higher dimensions. The special gauge interpolates between the Feynman gauge and the Coulomb gauge without double poles. When the Coulomb limit is approached, the unphysical particles drop out of the cuts and the cutting equations are consistently projected onto the physical subspace. The proof does not extend to nonlocal quantum field theories of gauge fields and gravity, whose unitarity remains uncertain.

  11. Renormalized Lie perturbation theory

    SciTech Connect

    Rosengaus, E.; Dewar, R.L.

    1981-07-01

    A Lie operator method for constructing action-angle transformations continuously connected to the identity is developed for area preserving mappings. By a simple change of variable from action to angular frequency a perturbation expansion is obtained in which the small denominators have been renormalized. The method is shown to lead to the same series as the Lagrangian perturbation method of Greene and Percival, which converges on KAM surfaces. The method is not superconvergent, but yields simple recursion relations which allow automatic algebraic manipulation techniques to be used to develop the series to high order. It is argued that the operator method can be justified by analytically continuing from the complex angular frequency plane onto the real line. The resulting picture is one where preserved primary KAM surfaces are continuously connected to one another.

  12. Shortcuts to adiabaticity in a time-dependent box

    PubMed Central

    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

  13. Shortcuts to adiabaticity in a time-dependent box.

    PubMed

    del Campo, A; 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.

  14. Shortcuts to adiabaticity in a time-dependent box

    NASA Astrophysics Data System (ADS)

    Del Campo, A.; Boshier, M. G.

    2012-09-01

    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.

  15. Effect of dephasing on stimulated Raman adiabatic passage

    SciTech Connect

    Ivanov, P.A.; Vitanov, N.V.; Bergmann, K.

    2004-12-01

    This work explores the effect of phase relaxation on the population transfer efficiency in stimulated Raman adiabatic passage (STIRAP). The study is based on the Liouville equation, which is solved analytically in the adiabatic limit. The transfer efficiency of STIRAP is found to decrease exponentially with the dephasing rate; this effect is stronger for shorter pulse delays and weaker for larger delays, since the transition time is found to be inversely proportional to the pulse delay. Moreover, it is found that the transfer efficiency of STIRAP in the presence of dephasing does not depend on the peak Rabi frequencies at all, as long as they are sufficiently large to enforce adiabatic evolution; hence increasing the field intensity cannot reduce the dephasing losses. It is shown also that for any dephasing rate, the final populations of the initial state and the intermediate state are equal. For strong dephasing all three populations tend to (1/3)

  16. Design of a photonic lattice using shortcuts to adiabaticity

    NASA Astrophysics Data System (ADS)

    Stefanatos, Dionisis

    2014-08-01

    In this article we use the method of shortcuts to adiabaticity to design a photonic lattice (array of waveguides) which can drive the input light to a controlled location at the output. The output position in the array is determined by functions of the propagation distance along the waveguides, which modulate the lattice characteristics (index of refraction, and first- and second-neighbor couplings). The proposed coupler is expected to possess the robustness properties of the design method, coming from its adiabatic nature, and also to have a smaller footprint than purely adiabatic couplers. The present work provides a very interesting example where methods from quantum control can be exploited to design lattices with desired input-output properties.

  17. Adiabatic Quantum Programming: Minor Embedding With Hard Faults

    SciTech Connect

    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.

  18. Adiabatic Quantum Computation and the Theory of Quantum Phase Transitions

    NASA Astrophysics Data System (ADS)

    Kaminsky, William; Lloyd, Seth

    2007-03-01

    We present a general approach to determining the asymptotic scaling of adiabatic quantum computational resources (space, time, energy, and precision) on random instances of NP-complete graph theory problems. By utilizing the isomorphisms between certain NP-complete graph theory problems and certain frustrated spin models, we demonstrate that the asymptotic scaling of the minimum spectral gap that determines the asymptotic running time of adiabatic algorithms is itself determined by the presence and character of quantum phase transitions in these frustrated models. Most notably, we draw the conclusion that adiabatic quantum computers based on quantum Ising models are much less likely to be efficient than those based on quantum rotor or Heisenberg models. We then exhibit practical rotor and Heisenberg model based architectures using Josephson junction and quantum dot circuits.

  19. Perturbed Trojan satellites

    NASA Astrophysics Data System (ADS)

    Morais, M. H. M.; Murray, C. D.

    1999-09-01

    We present some mechanisms that can lead to instability of initially small eccentricity Trojan-type orbits associated with planetary satellites. Dermott & Murray (1981) showed that in the context of the hierarchical restricted three-body problem (M>> m), stable small eccentricity coorbital motion associated with the mass m, occurs within a region of relative width in semi-major axis a_s=0.74 epsilon (where epsilon is the dimensionless Hill's radius). However, for large eccentricities, the size of the stable coorbital region shrinks as a_s=4 (epsilon /e)(1/2) epsilon (Namouni 1999). The perturbations from other nearby bodies can cause increases in both eccentricity and semi-major axis, leading to ejection from the coorbital region via collisions with the parent body or a nearby perturber. We show that mean motion resonances among saturnian satellites can cause chaotic diffusion of both the eccentricity and the semi-major axis of their associated Trojan orbits. Moreover, we show that secular resonances inside the coorbital regions of some uranian and saturnian satellites can induce significant increases in the eccentricity of Trojan objects. A better insight into the complicated dynamics exhibited by Trojan objects when they are being subject to perturbations is fundamental to be able to assess the likelihood of finding real examples of these configurations. Dermott & Murray (1981). Icarus 48, 1-11. Namouni (1999). Icarus 137, 293-314.

  20. Covariant Bardeen perturbation formalism

    NASA Astrophysics Data System (ADS)

    Vitenti, S. D. P.; Falciano, F. T.; Pinto-Neto, N.

    2014-05-01

    In a previous work we obtained a set of necessary conditions for the linear approximation in cosmology. Here we discuss the relations of this approach with the so-called covariant perturbations. It is often argued in the literature that one of the main advantages of the covariant approach to describe cosmological perturbations is that the Bardeen formalism is coordinate dependent. In this paper we will reformulate the Bardeen approach in a completely covariant manner. For that, we introduce the notion of pure and mixed tensors, which yields an adequate language to treat both perturbative approaches in a common framework. We then stress that in the referred covariant approach, one necessarily introduces an additional hypersurface choice to the problem. Using our mixed and pure tensors approach, we are able to construct a one-to-one map relating the usual gauge dependence of the Bardeen formalism with the hypersurface dependence inherent to the covariant approach. Finally, through the use of this map, we define full nonlinear tensors that at first order correspond to the three known gauge invariant variables Φ, Ψ and Ξ, which are simultaneously foliation and gauge invariant. We then stress that the use of the proposed mixed tensors allows one to construct simultaneously gauge and hypersurface invariant variables at any order.

  1. Adiabatic invariants in stellar dynamics, 3: Application to globular cluster evolution

    NASA Technical Reports Server (NTRS)

    Weinberg, Martin D.

    1994-01-01

    The previous two companion papers demonstrate that slowly varying perturbations may not result in adiabatic cutoffs and provide a formalism for computing the long-term effects of time-dependent perturbations on stellar systems. Here, the theory is implemented in a Fokker-Planck code and a suite of runs illustrating the effects of shock heating on globular cluster evolution are described. Shock heating alone results in considerable mass loss for clusters with R(sub g) less than or approximately 8 kpc: a concentration c = 1.5 cluster with R(sub g) kpc loses up to 95% of its initial mass in 15 Gyr. Only those with concentration c greater than or approximately 1.3 survive disk shocks inside of this radius. Other effects, such as mass loss by stellar evolution, will decrease this survival bound. Loss of the initial halo together with mass segregation leads to mass spectral indices, x, which may be considerably larger than their initial values.

  2. Gravitational Chern-Simons and the adiabatic limit

    NASA Astrophysics Data System (ADS)

    McLellan, Brendan

    2010-12-01

    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.

  3. Speeding up Adiabatic Quantum State Transfer by Using Dressed States

    NASA Astrophysics Data System (ADS)

    Baksic, Alexandre; Ribeiro, Hugo; Clerk, Aashish A.

    2016-06-01

    We develop new pulse schemes to significantly speed up adiabatic state transfer protocols. Our general strategy involves adding corrections to an initial control Hamiltonian that harness nonadiabatic transitions. These corrections define a set of dressed states that the system follows exactly during the state transfer. We apply this approach to stimulated Raman adiabatic passage protocols and show that a suitable choice of dressed states allows one to design fast protocols that do not require additional couplings, while simultaneously minimizing the occupancy of the "intermediate" level.

  4. Quantum Adiabatic Pumping by Modulating Tunnel Phase in Quantum Dots

    NASA Astrophysics Data System (ADS)

    Taguchi, Masahiko; Nakajima, Satoshi; Kubo, Toshihiro; Tokura, Yasuhiro

    2016-08-01

    In a mesoscopic system, under zero bias voltage, a finite charge is transferred by quantum adiabatic pumping by adiabatically and periodically changing two or more control parameters. We obtained expressions for the pumped charge for a ring of three quantum dots (QDs) by choosing the magnetic flux penetrating the ring as one of the control parameters. We found that the pumped charge shows a steplike behavior with respect to the variance of the flux. The value of the step heights is not universal but depends on the trajectory of the control parameters. We discuss the physical origin of this behavior on the basis of the Fano resonant condition of the ring.

  5. Classical nuclear motion coupled to electronic non-adiabatic transitions

    SciTech Connect

    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.

  6. Gravitational Chern-Simons and the adiabatic limit

    SciTech Connect

    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.

  7. Spatial adiabatic passage: a review of recent progress

    NASA Astrophysics Data System (ADS)

    Menchon-Enrich, R.; Benseny, A.; Ahufinger, V.; Greentree, A. D.; Busch, Th; Mompart, J.

    2016-07-01

    Adiabatic techniques are known to allow for engineering quantum states with high fidelity. This requirement is currently of large interest, as applications in quantum information require the preparation and manipulation of quantum states with minimal errors. Here we review recent progress on developing techniques for the preparation of spatial states through adiabatic passage, particularly focusing on three state systems. These techniques can be applied to matter waves in external potentials, such as cold atoms or electrons, and to classical waves in waveguides, such as light or sound.

  8. Power-driven and adiabatic expansions into vacuum

    NASA Astrophysics Data System (ADS)

    Farnsworth, A. V., Jr.

    1980-08-01

    Analytical solutions are obtained for the planar, cylindrical, and spherical expansions into vacuum of matter initially concentrated at a plane, a line, or a point. Both power-driven and adiabatic expansions are considered, where in the power-driven case, the specific power is deposited uniformly in space, but may vary in time according to a power law. These problems are found to be self-similar. The non-self-similar motion of matter during the adiabatic expansion that follows a power pulse of finite duration has also been addressed and a solution has been obtained.

  9. Adiabatic regularisation of power spectra in k-inflation

    SciTech Connect

    Alinea, Allan L.; Kubota, Takahiro; Nakanishi, Yukari; Naylor, Wade E-mail: kubota@celas.osaka-u.ac.jp E-mail: naylor@phys.sci.osaka-u.ac.jp

    2015-06-01

    We look at the question posed by Parker et al. about the effect of UV regularisation on the power spectrum for inflation. Focusing on the slow-roll k-inflation, we show that up to second order in the Hubble and sound flow parameters, the adiabatic regularisation of such model leads to no difference in the power spectrum apart from certain cases that violate near scale-invariant power spectra. Furthermore, extending to non-minimal k-inflation, we establish the equivalence of the subtraction terms in the adiabatic regularisation of the power spectrum in Jordan and Einstein frames.

  10. Local control of non-adiabatic dissociation dynamics

    NASA Astrophysics Data System (ADS)

    Bomble, L.; Chenel, A.; Meier, C.; Desouter-Lecomte, M.

    2011-05-01

    We present a theoretical approach which consists of applying the strategy of local control to projectors based on asymptotic scattering states. This allows to optimize final state distributions upon laser excitation in cases where strong non-adiabatic effects are present. The approach, despite being based on a time-local formulation, can take non-adiabatic transitions that appear at later times fully into account and adopt a corresponding control strategy. As an example, we show various dissociation channels of HeH+, a system where the ultrafast dissociation dynamics is determined by strong non-Born-Oppenheimer effects.

  11. Spatial adiabatic passage: a review of recent progress.

    PubMed

    Menchon-Enrich, R; Benseny, A; Ahufinger, V; Greentree, A D; Busch, Th; Mompart, J

    2016-07-01

    Adiabatic techniques are known to allow for engineering quantum states with high fidelity. This requirement is currently of large interest, as applications in quantum information require the preparation and manipulation of quantum states with minimal errors. Here we review recent progress on developing techniques for the preparation of spatial states through adiabatic passage, particularly focusing on three state systems. These techniques can be applied to matter waves in external potentials, such as cold atoms or electrons, and to classical waves in waveguides, such as light or sound. PMID:27245462

  12. NOVAE EJECTA AS DISCRETE ADIABATICALLY EXPANDING GLOBULES

    SciTech Connect

    Williams, Robert

    2013-09-15

    Available data for novae show that the X-ray and visible spectral regions correlate with each other as they evolve. Large differences in ionization exist simultaneously in the two wavelength regimes, and a straightforward model is proposed that explains the characteristics observed in both spectral regimes. Its key features are (1) ejected blobs of very high density gas from the white dwarf (WD) that expand to create within each clump a wide range of emitting density, ionization, and velocity, and (2) a more homogeneous circumbinary envelope of gas that is produced by secondary star mass loss. The relative mass loss rates from the two stars determine whether the He/N or the Fe II visible spectrum predominates during decline, when hard X-rays are detected, and when the WD can be detected as a super soft X-ray source.

  13. Novae Ejecta as Discrete Adiabatically Expanding Globules

    NASA Astrophysics Data System (ADS)

    Williams, Robert

    2013-09-01

    Available data for novae show that the X-ray and visible spectral regions correlate with each other as they evolve. Large differences in ionization exist simultaneously in the two wavelength regimes, and a straightforward model is proposed that explains the characteristics observed in both spectral regimes. Its key features are (1) ejected blobs of very high density gas from the white dwarf (WD) that expand to create within each clump a wide range of emitting density, ionization, and velocity, and (2) a more homogeneous circumbinary envelope of gas that is produced by secondary star mass loss. The relative mass loss rates from the two stars determine whether the He/N or the Fe II visible spectrum predominates during decline, when hard X-rays are detected, and when the WD can be detected as a super soft X-ray source.

  14. Perturbation Theory for Superfluid in Nonuniform Potential

    NASA Astrophysics Data System (ADS)

    Koshida, Shinji; Kato, Yusuke

    2016-05-01

    Perturbation theory of superfluid fraction in terms of nonuniform potential is constructed. We find that the coefficient of the leading term is determined by the dynamical structure factor or density fluctuation of the system. The results for the ideal Bose gas and the interacting Bose system with linear dispersion are consistent to implications from Landau's criterion. We also find that the superfluidity of Tomonaga-Luttinger liquid with K>2 is shown to be stable against nonuniform potential.

  15. No large scale curvature perturbations during the waterfall phase transition of hybrid inflation

    SciTech Connect

    Abolhasani, Ali Akbar; Firouzjahi, Hassan

    2011-03-15

    In this paper the possibility of generating large scale curvature perturbations induced from the entropic perturbations during the waterfall phase transition of the standard hybrid inflation model is studied. We show that whether or not appreciable amounts of large scale curvature perturbations are produced during the waterfall phase transition depends crucially on the competition between the classical and the quantum mechanical backreactions to terminate inflation. If one considers only the classical evolution of the system, we show that the highly blue-tilted entropy perturbations induce highly blue-tilted large scale curvature perturbations during the waterfall phase transition which dominate over the original adiabatic curvature perturbations. However, we show that the quantum backreactions of the waterfall field inhomogeneities produced during the phase transition dominate completely over the classical backreactions. The cumulative quantum backreactions of very small scale tachyonic modes terminate inflation very efficiently and shut off the curvature perturbation evolution during the waterfall phase transition. This indicates that the standard hybrid inflation model is safe under large scale curvature perturbations during the waterfall phase transition.

  16. Trace element mass balance in hydrous adiabatic mantle melting: The Hydrous Adiabatic Mantle Melting Simulator version 1 (HAMMS1)

    NASA Astrophysics Data System (ADS)

    Kimura, Jun-Ichi; Kawabata, Hiroshi

    2014-06-01

    numerical mass balance calculation model for the adiabatic melting of a dry to hydrous peridotite has been programmed in order to simulate the trace element compositions of basalts from mid-ocean ridges, back-arc basins, ocean islands, and large igneous provinces. The Excel spreadsheet-based calculator, Hydrous Adiabatic Mantle Melting Simulator version 1 (HAMMS1) uses (1) a thermodynamic model of fractional adiabatic melting of mantle peridotite, with (2) the parameterized experimental melting relationships of primitive to depleted mantle sources in terms of pressure, temperature, water content, and degree of partial melting. The trace element composition of the model basalt is calculated from the accumulated incremental melts within the adiabatic melting regime, with consideration for source depletion. The mineralogic mode in the primitive to depleted source mantle in adiabat is calculated using parameterized experimental results. Partition coefficients of the trace elements of mantle minerals are parameterized to melt temperature mostly from a lattice strain model and are tested using the latest compilations of experimental results. The parameters that control the composition of trace elements in the model are as follows: (1) mantle potential temperature, (2) water content in the source mantle, (3) depth of termination of adiabatic melting, and (4) source mantle depletion. HAMMS1 enables us to obtain the above controlling parameters using Monte Carlo fitting calculations and by comparing the calculated basalt compositions to primary basalt compositions. Additionally, HAMMS1 compares melting parameters with a major element model, which uses petrogenetic grids formulated from experimental results, thus providing better constraints on the source conditions.

  17. In-Flight Measurements of Capsule Shell Adiabats in Laser-Driven Implosions

    SciTech Connect

    Kritcher, A. L.; Doeppner, T.; Ma, T.; Landen, O. L.; Wallace, R.; Glenzer, S. H.; Fortmann, C.

    2011-07-01

    We present the first x-ray Thomson scattering measurements of temperature and density from spherically imploding matter. The shape of the Compton downscattered spectrum provides a first-principles measurement of the electron velocity distribution function, dependent on T{sub e} and the Fermi temperature T{sub F}{approx}n{sub e}{sup 2/3}. In-flight compressions of Be and CH targets reach 6-13 times solid density, with T{sub e}/T{sub F}{approx}0.4-0.7 and {Gamma}{sub ii}{approx}5, resulting in minimum adiabats of {approx}1.6-2. These measurements are consistent with low-entropy implosions and predictions by radiation-hydrodynamic modeling.

  18. In-Flight Measurements of Capsule Adiabats in Laser Driven Spherical Implosions

    SciTech Connect

    Kritcher, A L; Doppner, T; Fortman, C; Ma, T; Landen, O L; Wallace, R; Glenzer, S H

    2011-03-07

    We present the first x-ray Thomson scattering measurements of temperature and density from spherically imploding matter. The shape of the Compton downscattered spectrum provides a first-principles measurement of the electron velocity distribution function, dependent on T{sub e} and the Fermi temperature T{sub F} {approx} n{sub e}{sup 2/3}. In flight compressions of Be and CH targets reach 6-13 times solid density, with T{sub e}/T{sub F} {approx} 0.4-0.7, resulting in minimum adiabats of {approx}1.6-2. These measurements are consistent with low-entropy implosions and predictions by simulations using radiation-hydrodynamic modeling.

  19. Performance of Indirectly-Driven Capsule Implosions on NIF Using Adiabat-Shaping

    NASA Astrophysics Data System (ADS)

    Robey, Harry

    2015-11-01

    Indirectly-driven capsule implosions are being conducted on the National Ignition Facility (NIF). Early experiments conducted during the National Ignition Campaign (NIC) were driven by a laser pulse with a relatively low-power initial foot (``low-foot''), which was designed to keep the deuterium-tritium (DT) fuel on a low adiabat to achieve a high fuel areal density (ρR). These implosions were successful in achieving high ρR, but fell significantly short of the predicted neutron yield. A leading candidate to explain this degraded performance was ablation front instability growth, which can lead to the mixing of ablator material with the DT fuel layer and in extreme cases into the central DT hot spot. A subsequent campaign employing a modified laser pulse with increased power in the foot (``high-foot'') was designed to reduce the adverse effects of ablation front instability growth. These implosions have been very successful, increasing neutron yields by more than an order of magnitude, but at the expense of reduced fuel compression. To bridge these two regimes, a series of implosions have been designed to simultaneously achieve both high stability and high ρR. These implosions employ adiabat-shaping, where the driving laser pulse is high in the initial picket similar to the high-foot to retain the favorable stability properties at the ablation front. The remainder of the foot is similar to that of the low-foot, driving a lower velocity shock into the DT fuel to keep the adiabat low and compression high. This talk will present results and analysis of these implosions and will discuss implications for improved implosion performance. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  20. Storm time impulsive enhancements of energetic oxygen due to adiabatic acceleration of preexisting warm oxygen in the inner magnetosphere

    NASA Astrophysics Data System (ADS)

    Keika, Kunihiro; Seki, Kanako; Nosé, Masahito; Machida, Shinobu; Miyoshi, Yoshizumi; Lanzerotti, Louis J.; Mitchell, Donald G.; Gkioulidou, Matina; Turner, Drew; Spence, Harlan; Larsen, Brian A.

    2016-08-01

    We examine enhancements of energetic (>50 keV) oxygen ions observed by the Radiation Belt Storm Probes Ion Composition Experiment (RBSPICE) instrument on board the Van Allen Probes spacecraft in the inner magnetosphere (L ~ 6) at 22-23 h magnetic local time (MLT) during an injection event of the 6 June 2013 storm. Simultaneous observations by two Van Allen Probes spacecraft located close together (~0.5 RE) indicate that particle injections occurred in the premidnight sector (< ~24 h MLT). We also examine the evolution of the proton and oxygen energy spectra at L ~ 6 during the injection event. The spectral slope did not significantly change during the storm. The oxygen phase space density (PSD) was shifted toward higher PSD in a wide range of the first adiabatic invariant. The spectral evolution manifests the characteristics of adiabatic acceleration and density increase of oxygen ions. Warm (0.1-10 keV) oxygen measured by the Helium, Oxygen, Proton, and Electron (HOPE) instrument was enhanced prior to the storm mostly in magnetic field-aligned directions. The most reasonable scenario of this event is that warm oxygen ions that preexisted in the inner magnetosphere were picked up and adiabatically transported and accelerated by spatially localized, temporarily impulsive electric fields.

  1. Discrete reductive perturbation technique

    SciTech Connect

    Levi, Decio; Petrera, Matteo

    2006-04-15

    We expand a partial difference equation (P{delta}E) on multiple lattices and obtain the P{delta}E which governs its far field behavior. The perturbative-reductive approach is here performed on well-known nonlinear P{delta}Es, both integrable and nonintegrable. We study the cases of the lattice modified Korteweg-de Vries (mKdV) equation, the Hietarinta equation, the lattice Volterra-Kac-Van Moerbeke equation and a nonintegrable lattice KdV equation. Such reductions allow us to obtain many new P{delta}Es of the nonlinear Schroedinger type.

  2. First results of radiation-driven, layered deuterium-tritium implosions with a 3-shock adiabat-shaped drive at the National Ignition Facility

    SciTech Connect

    Smalyuk, V. A.; Robey, H. F.; Döppner, T.; Jones, O. S.; Milovich, J. L.; Bachmann, B.; Baker, K. L.; Berzak Hopkins, L. F.; Bond, E.; Callahan, D. A.; Casey, D. T.; Celliers, P. M.; Cerjan, C.; Clark, D. S.; Dixit, S. N.; Edwards, M. J.; Haan, S. W.; Hamza, A. V.; Hurricane, O. A.; Jancaitis, K. S.; and others

    2015-08-15

    Radiation-driven, layered deuterium-tritium plastic capsule implosions were carried out using a new, 3-shock “adiabat-shaped” drive on the National Ignition Facility. The purpose of adiabat shaping is to use a stronger first shock, reducing hydrodynamic instability growth in the ablator. The shock can decay before reaching the deuterium-tritium fuel leaving it on a low adiabat and allowing higher fuel compression. The fuel areal density was improved by ∼25% with this new drive compared to similar “high-foot” implosions, while neutron yield was improved by more than 4 times, compared to “low-foot” implosions driven at the same compression and implosion velocity.

  3. Perturbation Monte Carlo methods for tissue structure alterations.

    PubMed

    Nguyen, Jennifer; Hayakawa, Carole K; Mourant, Judith R; Spanier, Jerome

    2013-01-01

    This paper describes an extension of the perturbation Monte Carlo method to model light transport when the phase function is arbitrarily perturbed. Current perturbation Monte Carlo methods allow perturbation of both the scattering and absorption coefficients, however, the phase function can not be varied. The more complex method we develop and test here is not limited in this way. We derive a rigorous perturbation Monte Carlo extension that can be applied to a large family of important biomedical light transport problems and demonstrate its greater computational efficiency compared with using conventional Monte Carlo simulations to produce forward transport problem solutions. The gains of the perturbation method occur because only a single baseline Monte Carlo simulation is needed to obtain forward solutions to other closely related problems whose input is described by perturbing one or more parameters from the input of the baseline problem. The new perturbation Monte Carlo methods are tested using tissue light scattering parameters relevant to epithelia where many tumors originate. The tissue model has parameters for the number density and average size of three classes of scatterers; whole nuclei, organelles such as lysosomes and mitochondria, and small particles such as ribosomes or large protein complexes. When these parameters or the wavelength is varied the scattering coefficient and the phase function vary. Perturbation calculations give accurate results over variations of ∼15-25% of the scattering parameters.

  4. Does temperature increase or decrease in adiabatic decompression of magma?

    NASA Astrophysics Data System (ADS)

    Kilinc, A. I.; Ghiorso, M. S.; Khan, T.

    2011-12-01

    We have modeled adiabatic decompression of an andesitic and a basaltic magma as an isentropic process using the Melts algorithm. Our modeling shows that during adiabatic decompression temperature of andesitic magma increases but temperature of basaltic magma decreases. In an isentropic process entropy is constant so change of temperature with pressure can be written as dT/dP=T (dV/dT)/Cp where T (dV/dT)/Cp is generally positive. If delta P is negative so is delta T. In general, in the absence of phase change, we expect the temperature to decrease with adiabatic decompression. The effect of crystallization is to turn a more entropic phase (liquid) into a less entropic phase (solid), which must be compensated by raising the temperature. If during adiabatic decompression there is small amount or no crystallization, T (dV/dT)/Cp effect which lowers the temperature overwhelms the small amount of crystallization, which raises the temperature, and overall system temperature decreases.

  5. On adiabatic stabilization and geometry of Bunsen flames

    SciTech Connect

    Sun, C.J.; Sung, C.J.; Law, C.K.

    1994-12-31

    Two aspects of stretched flame dynamics are investigated via the model problem of the stabilization and geometry of Bunsen flames. Specifically, the possibility of stabilizing a Bunsen flame without heat loss to the burner rim is experimentally investigated by examining the temperature of the rim, the temperature gradient between the rim and the flame base, and the standoff distance of the flame base in relation to the flame thickness. Results show that, while heat loss is still the dominant stabilization mechanism for flames in uniform flows and for strong flames in parabolic flow, adiabatic stabilization and, subsequently, blowoff are indeed possible for weak flames in parabolic flows. The adiabatically stabilized flame is then modeled by using the scalar field formulation and by allowing for the effects of curvature and aerodynamic straining on the local flame speed. The calculated flame configuration agrees well with the experiment for the adiabatically stabilized flame but not for the nonadiabatic flame. Results further show that active modification of the flame curvature is the dominant cause for the flame to maintain adiabatic stabilization. Implications of the present results on turbulent flame modeling are discussed.

  6. Digitized adiabatic quantum computing with a superconducting circuit

    NASA Astrophysics Data System (ADS)

    Barends, R.; Shabani, A.; Lamata, L.; Kelly, J.; Mezzacapo, A.; Heras, U. Las; Babbush, R.; Fowler, A. G.; Campbell, B.; Chen, Yu; Chen, Z.; Chiaro, B.; Dunsworth, A.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Neill, C.; O'Malley, P. J. J.; Quintana, C.; Roushan, P.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Solano, E.; Neven, H.; Martinis, John M.

    2016-06-01

    Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.

  7. Digitized adiabatic quantum computing with a superconducting circuit.

    PubMed

    Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

    2016-06-01

    Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable. PMID:27279216

  8. Digitized adiabatic quantum computing with a superconducting circuit.

    PubMed

    Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

    2016-06-08

    Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.

  9. Failure of geometric electromagnetism in the adiabatic vector Kepler problem

    SciTech Connect

    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.

  10. 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.…

  11. Quantum back-reaction from non-adiabatic changes

    NASA Astrophysics Data System (ADS)

    Asplund, Curtis; Berenstein, David

    2011-04-01

    Motivated by the problem of thermalization in QFTs and the dual non-equilibrium BH dynamics, we examine a generic and non-trivial aspect of these phenomena, non-adiabatic changes, in a highly simplified setting. We consider a harmonic oscillator whose frequency depends on a second quantum variable x. Beginning with a classical analysis, we show how the system can be described by an improved adiabatic expansion with a velocity dependent force for x. We find an instability at a critical velocity beyond which the adiabatic (Born-Oppenheimer) approximation breaks down. We extend this calculation to the fully quantum system and to field theory and describe how to study fermions with similar techniques. Finally, we set up a model with an abrupt change in the oscillator whose quantum mechanics can be solved exactly so that one can study the effects of back-reaction of a fully non-adiabatic change in a controlled setting. We comment on applications of these general results to the physics of D-branes, inflation, and BHs in AdS/CFT.

  12. Adiabatic quantum computing with phase modulated laser pulses

    PubMed Central

    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

  13. Adiabatic frequency conversion with a sign flip in the coupling

    NASA Astrophysics Data System (ADS)

    Hristova, H. S.; Rangelov, A. A.; Montemezzani, G.; Vitanov, N. V.

    2016-09-01

    Adiabatic frequency conversion is a method recently developed in nonlinear optics [H. Suchowski, D. Oron, A. Arie, and Y. Silberberg, Phys. Rev. A 78, 063821 (2008), 10.1103/PhysRevA.78.063821], using ideas from the technique of rapid adiabatic passage (RAP) via a level crossing in quantum physics. In this method, the coupling coefficients are constant and the phase mismatch is chirped adiabatically. In this work, we propose another method for adiabatic frequency conversion, in which the phase mismatch is constant and the coupling is a pulse-shaped function with a sign flip (i.e., a phase step of π ) at its maximum. Compared to the RAP method, our technique has comparable efficiency but it is simpler to implement for it only needs two bulk crystals with opposite χ(2 ) nonlinearity. Moreover, because our technique requires constant nonzero frequency mismatch and has zero conversion efficiency on exact frequency matching, it can be used as a frequency filter.

  14. The flat Grothendieck-Riemann-Roch theorem without adiabatic techniques

    NASA Astrophysics Data System (ADS)

    Ho, Man-Ho

    2016-09-01

    In this paper we give a simplified proof of the flat Grothendieck-Riemann-Roch theorem. The proof makes use of the local family index theorem and basic computations of the Chern-Simons form. In particular, it does not involve any adiabatic limit computation of the reduced eta-invariant.

  15. 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…

  16. A Kinetic Study of the Adiabatic Polymerization of Acrylamide.

    ERIC Educational Resources Information Center

    Thomson, R. A. M.

    1986-01-01

    Discusses theory, procedures, and results for an experiment which demonstrates the application of basic physics to chemical problems. The experiment involves the adiabatic process, in which polymerization carried out in a vacuum flask is compared to the theoretical prediction of the model with the temperature-time curve obtained in practice. (JN)

  17. Exchange-correlation functionals from a local interpolation along the adiabatic connection

    NASA Astrophysics Data System (ADS)

    Vuckovic, Stefan; Irons, Tom; Teale, Andrew; Savin, Andreas; Gori-Giorgi, Paola

    We use the adiabatic connection formalism to construct a density functional by doing an interpolation between the weak and the strong coupling regime. Combining the information from the two limits, we are able to construct an exchange-correlation (xc) density functional free of the bias towards weakly correlated system, which is present in the majority of approximate xc functionals. Previous attempts in doing the interpolation between the two regimes, such as the interaction strength interpolation (ISI), had a fundamental flaw: the lack of size-consistency, as the corresponding functional depends non-linearly on the global (integrated over all space) ingredients. To recover size-consistency in such a framework, we move from the global to local quantities. We use the energy densities as local quantities in the gauge of the electrostatic potential of the xc hole. We use the ``strictly-correlated electrons'' (SCE) approach to compute the energy densities in the strong-coupling limit and the Lieb maximization algorithm to extract the energy densities from the low-coupling regime. We then test the accuracy of the local interpolation schemes by using the nearly exact local energy densities. In this talk I am going to present our results with the emphasis on strongly correlated systems.

  18. Neutron yield study of direct-drive, low-adiabat cryogenic D{sub 2} implosions on OMEGA laser system

    SciTech Connect

    Hu, S. X.; Radha, P. B.; Marozas, J. A.; Betti, R.; Collins, T. J. B.; Craxton, R. S.; Delettrez, J. A.; Edgell, D. H.; Epstein, R.; Goncharov, V. N.; Igumenshchev, I. V.; Marshall, F. J.; McCrory, R. L.; Meyerhofer, D. D.; Regan, S. P.; Sangster, T. C.; Skupsky, S.; Smalyuk, V. A.; Elbaz, Y.; Shvarts, D.

    2009-11-15

    Neutron yields of direct-drive, low-adiabat ({alpha}{approx_equal}2 to 3) cryogenic D{sub 2} target implosions on the OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] have been systematically investigated using the two-dimensional (2D) radiation hydrodynamics code DRACO[P. B. Radha et al., Phys. Plasmas 12, 056307 (2005)]. Low-mode (l{<=}12) perturbations, including initial target offset, ice-layer roughness, and laser-beam power imbalance, were found to be the primary source of yield reduction for thin-shell (5 {mu}m), low-{alpha}, cryogenic targets. The 2D simulations of thin-shell implosions track experimental measurements for different target conditions and peak laser intensities ranging from 2.5x10{sup 14}-6x10{sup 14} W/cm{sup 2}. Simulations indicate that the fusion yield is sensitive to the relative phases between the target offset and the ice-layer perturbations. The results provide a reasonable good guide to understanding the yield degradation in direct-drive, low-adiabat, cryogenic, thin-shell-target implosions. Thick-shell (10 {mu}m) implosions generally give lower yield over clean than low-l-mode DRACO simulation predictions. Simulations including the effect of laser-beam nonuniformities indicate that high-l-mode perturbations caused by laser imprinting further degrade the neutron yield of thick-shell implosions. To study ICF compression physics, these results suggest a target specification with a {<=}30 {mu}m offset and ice-roughness of {sigma}{sub rms}<3 {mu}m are required.

  19. A new model for realistic random perturbations of stochastic oscillators

    NASA Astrophysics Data System (ADS)

    Dieci, Luca; Li, Wuchen; Zhou, Haomin

    2016-08-01

    Classical theories predict that solutions of differential equations will leave any neighborhood of a stable limit cycle, if white noise is added to the system. In reality, many engineering systems modeled by second order differential equations, like the van der Pol oscillator, show incredible robustness against noise perturbations, and the perturbed trajectories remain in the neighborhood of a stable limit cycle for all times of practical interest. In this paper, we propose a new model of noise to bridge this apparent discrepancy between theory and practice. Restricting to perturbations from within this new class of noise, we consider stochastic perturbations of second order differential systems that -in the unperturbed case- admit asymptotically stable limit cycles. We show that the perturbed solutions are globally bounded and remain in a tubular neighborhood of the underlying deterministic periodic orbit. We also define stochastic Poincaré map(s), and further derive partial differential equations for the transition density function.

  20. Geometric perturbation theory and plasma physics

    SciTech Connect

    Omohundro, S.M.

    1985-01-01

    Modern differential geometric techniques are used to unify the physical asymptotics underlying mechanics, wave theory, and statistical mechanics. The approach gives new insights into the structure of physical theories and is suited to the needs of modern large-scale computer simulation and symbol manipulation systems. A coordinate-free formulation of non-singular perturbation theory is given, from which a new Hamiltonian perturbation structure is derived and related to the unperturbed structure in five different ways. The theory of perturbations in the presence of symmetry is developed, and the method of averaging is related to reduction by a circle-group action. The pseudo-forces and magnetic Poisson bracket terms due to reduction are given a natural asymptotic interpretation. Similar terms due to changing reference frames are related to the method of variation of parameters, which is also given a Hamiltonian formulation. These methods are used to answer a long-standing question posed by Kruskal about nearly periodic systems. The answer leads to a new secular perturbation theory that contains no adhoc elements, which is then applied to gyromotion. Eikonal wave theory is given a Hamiltonian formulation that generalizes Whitham's Lagrangian approach. The evolution of wave action density on ray phase space is given a Hamiltonian structure using a Lie-Poisson bracket. The relationship between dissipative and Hamiltonian systems is discussed. A theory motivated by free electron lasers gives new restrictions on the change of area of projected parallelepipeds under canonical transformations.

  1. Characterization of adiabatic shear bands in AM60B magnesium alloy under ballistic impact

    SciTech Connect

    Zou, D.L.; Zhen, L. Xu, C.Y.; Shao, W.Z.

    2011-05-15

    Adiabatic shear bands in Mg alloy under ballistic impact at a velocity of 0.5 km.s{sup -1} were characterized by means of optical microscope, scanning electron microscope, transmission electron microscope and indenter technique. The results show that adiabatic shear bands were formed around the impacted crater, and the deformed and transformed bands were distinguished by etching colors in metallographic observation. TEM observation shows that the deformed bands were composed of the elongated grains and high density dislocations, while the transformed bands composed of the ultrafine and equiaxed grains were confirmed. In initial stage, the severe localized plastic deformation led to the formation of elongated grains in the deformed bands. With localized strain increasing, the severe localized deformation assisted with the plastic temperature rising led to the severe deformation grains evolved into the ultrafine and equiaxed grains, while the deformed bands were developed into transformed bands. The formation of the ultrafine and equiaxed grains in the transformed bands should be attributed to the twinning-induced rotational dynamic recrystallization mechanism. High microhardness in the bands was obtained because of the strain hardening, grain refining and content concentration. - Research Highlights: {yields} Deformed and transformed bands are found in Mg alloy under ballistic impact. {yields} The microstructures in the deformed and transformed bands are characterized. {yields} The evolution process of the microstructure in the bands is discussed.

  2. The effect of laser pulse shape variations on the adiabat of NIF capsule implosions

    SciTech Connect

    Robey, H. F.; MacGowan, B. J.; Landen, O. L.; LaFortune, K. N.; Widmayer, C.; Celliers, P. M.; Moody, J. D.; Ross, J. S.; Ralph, J.; LePape, S.; Berzak Hopkins, L. F.; Spears, B. K.; Haan, S. W.; Clark, D.; Lindl, J. D.; Edwards, M. J.

    2013-05-15

    Indirectly driven capsule implosions on the National Ignition Facility (NIF) [Moses et al., Phys. Plasmas 16, 041006 (2009)] are being performed with the goal of compressing a layer of cryogenic deuterium-tritium (DT) fuel to a sufficiently high areal density (ρR) to sustain the self-propagating burn wave that is required for fusion power gain greater than unity. These implosions are driven with a temporally shaped laser pulse that is carefully tailored to keep the DT fuel on a low adiabat (ratio of fuel pressure to the Fermi degenerate pressure). In this report, the impact of variations in the laser pulse shape (both intentionally and unintentionally imposed) on the in-flight implosion adiabat is examined by comparing the measured shot-to-shot variations in ρR from a large ensemble of DT-layered ignition target implosions on NIF spanning a two-year period. A strong sensitivity to variations in the early-time, low-power foot of the laser pulse is observed. It is shown that very small deviations (∼0.1% of the total pulse energy) in the first 2 ns of the laser pulse can decrease the measured ρR by 50%.

  3. Large-Strain Time-Temperature Equivalence and Adiabatic Heating of Polyethylene

    SciTech Connect

    Furmanski, Jevan; Brown, Eric; Cady, Carl M.

    2012-06-06

    Time-temperature equivalence is a well-known phenomenon in time-dependent material response, where rapid events at a moderate temperature are indistinguishable from some occurring at modest rates but elevated temperatures. However, there is as-yet little elucidation of how well this equivalence holds for substantial plastic strains. In this work, we demonstrate time-temperature equivalence over a large range in a previously studied high-density polyethylene formulation (HDPE). At strain-rates exceeding 0.1/s, adiabatic heating confounds the comparison of nominally isothermal material response, apparently violating time-temperature equivalence. Strain-rate jumps can be employed to access the instantaneous true strain rate without heating. Adiabatic heating effects were isolated by comparing a locus of isothermal instantaneous flow stress measurements from strain-rate jumps up to 1/s with the predicted equivalent states at 0.01/s and 0.001/s in compression. Excellent agreement between the isothermal jump condition locus and the quasi-static tests was observed up to 50% strain, yielding one effective isothermal plastic response for each material for a given time-temperature equivalent state. These results imply that time-temperature equivalence can be effectively used to predict the deformation response of polymers during extreme mechanical events (large strain and high strain-rate) from measurements taken at reduced temperatures and nominal strain-rates in the laboratory.

  4. Crushing runtimes in adiabatic quantum computation with Energy Landscape Manipulation (ELM): Application to Quantum Factoring

    NASA Astrophysics Data System (ADS)

    Dattani, Nike; Tanburn, Richard; Lunt, Oliver

    We introduce two methods for speeding up adiabatic quantum computations by increasing the energy between the ground and first excited states. Our methods are even more general. They can be used to shift a Hamiltonian's density of states away from the ground state, so that fewer states occupy the low-lying energies near the minimum, hence allowing for faster adiabatic passages to find the ground state with less risk of getting caught in an undesired low-lying excited state during the passage. Even more generally, our methods can be used to transform a discrete optimization problem into a new one whose unique minimum still encodes the desired answer, but with the objective function's values forming a different landscape. Aspects of the landscape such as the objective function's range, or the values of certain coefficients, or how many different inputs lead to a given output value, can be decreased *or* increased. One of the many examples for which these methods are useful is in finding the ground state of a Hamiltonian using NMR. We apply our methods to an AQC algorithm for integer factorization, and the first method reduces the maximum runtime in our example by up to 754%, and the second method reduces the maximum runtime of another example by up to 250%.

  5. Comparative numerical-experimental analysis of the universal impact of arbitrary perturbations on transport in three-dimensional unsteady flows.

    PubMed

    Wu, F; Speetjens, M F M; Vainchtein, D L; Trieling, R R; Clercx, H J H

    2014-12-01

    Numerical studies of three-dimensional (3D) time-periodic flow inside a lid-driven cylinder revealed that a weak perturbation of the noninertial state (Reynolds number Re=0) has a strong impact on the Lagrangian flow structure by inducing transition of a global family of nested spheroidal invariant surfaces into intricate coherent structures consisting of adiabatic invariant surfaces connected by tubes. These tubes provide paths for passive tracers to escape from one invariant surface to another. Perturbation is introduced in two ways: (i) weak fluid inertia by nonzero Re∼O(10(-3)); (ii) small disturbance of the external flow forcing. Both induce essentially the same dynamics, implying a universal response in the limit of a weak perturbation. Moreover, we show that the motion inside tubes possesses an adiabatic invariant. Long-term experiments were conducted using 3D particle-tracking velocimetry and relied on experimental imperfections as natural weak perturbations. This provided first experimental evidence of the tube formation and revealed close agreement with numerical simulations. We experimentally validated the universality of the perturbation response and, given the inevitability of imperfections, exposed the weakly perturbed state as the true "unperturbed state" in realistic systems. PMID:25615182

  6. Energy density of standing sound waves at the radiation-dominated phase of the universe expansion (hydrodynamic derivation)

    NASA Astrophysics Data System (ADS)

    Inogamov, N. A.; Sunyaev, R. A.

    2015-12-01

    In the early Universe up to hydrogen recombination in the Universe, the radiation pressure was much greater than the pressure of baryons and electrons. Moreover, the energy density of cosmic microwave background (CMB) photons was greater than or close to the energy density contained in the rest mass of baryonic matter, i.e., the primordial plasma was a radiated-dominated one and the adiabatic index was close to 4/3. The small density perturbations from which the observed galaxies have grown grew as long as the characteristic perturbation scales exceeded the horizon of the Universe сt at that time. On smaller scales, the density perturbations were standing sound waves. Radiative viscosity and heat conduction must have led to the damping of sound waves on very small scales. After the discovery of the cosmic microwave background, J. Silk calculated the scales of this damping, which is now called Silk damping, knowing the CMBtemperature and assuming the density of baryons and electrons. Observations with the South Pole Telescope, the Atacama Cosmology Telescope, and the Planck satellite have revealed the predicted damping of acoustic peaks in the CMB power spectrum and confirmed one important prediction of the theory. In 1970, R.A. Sunyaev and Ya.B. Zeldovich showed that such energy release in the early Universe should lead to characteristic deviations of the CMB spectrum from the Planck one. The development of the technology of cryogenic detectors of submillimeter and millimeter wavelength radiation has made it possible to measure the CMB spectral distortions at 10-8 of its total intensity (PIXIE). This has sharply increased the interest of theoretical cosmologists in the problem of energy release when smallscale sound waves are damped. We have derived a relativistic formula for the energy of a standing sound wave in a photon-baryon-electron plasma from simple hydrodynamic and thermodynamic relations. This formula is applicable for an arbitrary relation between the

  7. Multi-disformal invariance of non-linear primordial perturbations

    NASA Astrophysics Data System (ADS)

    Watanabe, Yuki; Naruko, Atsushi; Sasaki, Misao

    2015-08-01

    We study disformal transformations of the metric in the cosmological context. We first consider the disformal transformation generated by a scalar field ϕ and show that the curvature and tensor perturbations on the uniform ϕ slicing, on which the scalar field is homogeneous, are non-linearly invariant under the disformal transformation. Then we discuss the transformation properties of the evolution equations for the curvature and tensor perturbations at full non-linear order in the context of spatial gradient expansion as well as at linear order. In particular, we show that the transformation can be described in two different ways: one that clearly shows the physical invariance and the other that shows an apparent change of the causal structure. Finally we consider a new type of disformal transformation in which a multi-component scalar field comes into play, which we call a “multi-disformal transformation”. We show that the curvature and tensor perturbations are invariant at linear order, and also at non-linear order, provided that the system has reached the adiabatic limit.

  8. Perturbative unidirectional invisibility

    NASA Astrophysics Data System (ADS)

    Mostafazadeh, Ali

    2015-08-01

    We outline a general perturbative method of evaluating scattering features of finite-range complex potentials and use it to examine complex perturbations of a rectangular barrier potential. In optics, these correspond to modulated refractive index profiles of the form n (x ) =n0+f (x ) , where n0 is real, f (x ) is complex valued, and |f (x ) | ≪1 ≤n0 . We give a comprehensive description of the phenomenon of unidirectional invisibility for such media, proving five general theorems on its realization in P T -symmetric and non-P T -symmetric material. In particular, we establish the impossibility of unidirectional invisibility for P T -symmetric samples whose refractive index has a constant real part and show how a simple scaling transformation of a unidirectionally invisible P T -symmetric index profile with n0=1 may be used to generate a hierarchy of unidirectionally invisible P T -symmetric index profiles with n0>1 . The results pertaining to unidirectional invisibility for n0>1 open the way for the experimental studies of this phenomenon in a variety of active materials. As an application of our general results, we show that a medium with n (x ) =n0+ζ ei K x , ζ and K real, and |ζ |≪1 can support unidirectional invisibility only for n0=1 . We then construct unidirectionally invisible index profiles of the form n (x ) =n0+∑ℓzℓei Kℓx with zℓ complex, Kℓ real, | zℓ|≪1 , and n0>1 .

  9. Post-inflation increase of the cosmological tensor-to-scalar perturbation ratio

    SciTech Connect

    Bartolo, N.; Kolb, Edward W.; Riotto, A.; /Padua U. /INFN, Padua

    2005-07-01

    We investigate the possibility that the amplitude of scalar density perturbations may be damped after inflation. This would imply that CMB anisotropies do not uniquely fix the amplitude of the perturbations generated during inflation and that the present tensor-to-scalar ratio might be larger than produced in inflation, increasing the prospects of detection of primordial gravitational radiation. It turns out, however, that the damping of density perturbations is hard to achieve.

  10. Perturbations from strings don't look like strings!

    NASA Technical Reports Server (NTRS)

    Albrecht, Andreas; Stebbins, Albert

    1991-01-01

    A systematic analysis is challenging popular ideas about perturbation from cosmic strings. One way in which the picture has changed is reviewed. It is concluded that, while the scaling properties of cosmic strings figure significantly in the analysis, care must be taken when thinking in terms of single time snapshots. The process of seeding density perturbations is not fundamentally localized in time, and this fact can wash out many of the details which appear in a single snapshot.

  11. Scaling laws and deformation mechanisms of nanoporous copper under adiabatic uniaxial strain compression

    SciTech Connect

    Yuan, Fuping Wu, Xiaolei

    2014-12-15

    A series of large-scale molecular dynamics simulations were conducted to investigate the scaling laws and the related atomistic deformation mechanisms of Cu monocrystal samples containing randomly placed nanovoids under adiabatic uniaxial strain compression. At onset of yielding, plastic deformation is accommodated by dislocations emitted from void surfaces as shear loops. The collapse of voids are observed by continuous emissions of dislocations from void surfaces and their interactions with further plastic deformation. The simulation results also suggest that the effect modulus, the yield stress and the energy aborption density of samples under uniaxial strain are linearly proportional to the relative density ρ. Moreover, the yield stress, the average flow stress and the energy aborption density of samples with the same relative density show a strong dependence on the void diameter d, expressed by exponential relations with decay coefficients much higher than -1/2. The corresponding atomistic mechanisms for scaling laws of the relative density and the void diameter were also presented. The present results should provide insights for understanding deformation mechanisms of nanoporous metals under extreme conditions.

  12. Cosmological perturbations in massive bigravity

    SciTech Connect

    Lagos, Macarena; Ferreira, Pedro G. E-mail: p.ferreira1@physics.ox.ac.uk

    2014-12-01

    We present a comprehensive analysis of classical scalar, vector and tensor cosmological perturbations in ghost-free massive bigravity. In particular, we find the full evolution equations and analytical solutions in a wide range of regimes. We show that there are viable cosmological backgrounds but, as has been found in the literature, these models generally have exponential instabilities in linear perturbation theory. However, it is possible to find stable scalar cosmological perturbations for a very particular choice of parameters. For this stable subclass of models we find that vector and tensor perturbations have growing solutions. We argue that special initial conditions are needed for tensor modes in order to have a viable model.

  13. Robust quantum logic in neutral atoms via adiabatic Rydberg dressing

    NASA Astrophysics Data System (ADS)

    Keating, Tyler; Cook, Robert L.; Hankin, Aaron M.; Jau, Yuan-Yu; Biedermann, Grant W.; Deutsch, Ivan H.

    2015-01-01

    We study a scheme for implementing a controlled-Z (cz) gate between two neutral-atom qubits based on the Rydberg blockade mechanism in a manner that is robust to errors caused by atomic motion. By employing adiabatic dressing of the ground electronic state, we can protect the gate from decoherence due to random phase errors that typically arise because of atomic thermal motion. In addition, the adiabatic protocol allows for a Doppler-free configuration that involves counterpropagating lasers in a σ+/σ- orthogonal polarization geometry that further reduces motional errors due to Doppler shifts. The residual motional error is dominated by dipole-dipole forces acting on doubly excited Rydberg atoms when the blockade is imperfect. For reasonable parameters, with qubits encoded into the clock states of 133Cs, we predict that our protocol could produce a cz gate in <10 μ s with error probability on the order of 10-3.

  14. Adiabatic molecular-dynamics-simulation-method studies of kinetic friction

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Sokoloff, J. B.

    2005-06-01

    An adiabatic molecular-dynamics method is developed and used to study the Muser-Robbins model for dry friction (i.e., nonzero kinetic friction in the slow sliding speed limit). In this model, dry friction between two crystalline surfaces rotated with respect to each other is due to mobile molecules (i.e., dirt particles) adsorbed at the interface. Our adiabatic method allows us to quickly locate interface potential-well minima, which become unstable during sliding of the surfaces. Since dissipation due to friction in the slow sliding speed limit results from mobile molecules dropping out of such unstable wells, our method provides a way to calculate dry friction, which agrees extremely well with results found by conventional molecular dynamics for the same system, but our method is more than a factor of 10 faster.

  15. Adiabatic far-field sub-diffraction imaging

    PubMed Central

    Cang, Hu; Salandrino, Alessandro; Wang, Yuan; Zhang, Xiang

    2015-01-01

    The limited resolution of a conventional optical imaging system stems from the fact that the fine feature information of an object is carried by evanescent waves, which exponentially decays in space and thus cannot reach the imaging plane. We introduce here an adiabatic lens, which utilizes a geometrically conformal surface to mediate the interference of slowly decompressed electromagnetic waves at far field to form images. The decompression is satisfying an adiabatic condition, and by bridging the gap between far field and near field, it allows far-field optical systems to project an image of the near-field features directly. Using these designs, we demonstrated the magnification can be up to 20 times and it is possible to achieve sub-50 nm imaging resolution in visible. Our approach provides a means to extend the domain of geometrical optics to a deep sub-wavelength scale. PMID:26258769

  16. Adiabatic creation of atomic squeezing in dark states versus decoherences

    SciTech Connect

    Gong, Z. R.; Sun, C. P.; Wang Xiaoguang

    2010-07-15

    We study the multipartite correlations of the multiatom dark states, which are characterized by the atomic squeezing beyond the pairwise entanglement. It is shown that, in the photon storage process with atomic ensemble via the electromagnetically induced transparency (EIT) mechanism, the atomic squeezing and the pairwise entanglement can be created by adiabatically manipulating the Rabi frequency of the classical light field on the atomic ensemble. We also consider the sudden death for the atomic squeezing and the pairwise entanglement under various decoherence channels. An optimal time for generating the greatest atomic squeezing and pairwise entanglement is obtained by studying in detail the competition between the adiabatic creation of quantum correlation in the atomic ensemble and the decoherence that we describe with three typical decoherence channels.

  17. On the Effect of Strain Gradient on Adiabatic Shear Banding

    NASA Astrophysics Data System (ADS)

    Tsagrakis, Ioannis; Aifantis, Elias C.

    2015-10-01

    Most of the work on adiabatic shear banding is based on the effect of temperature gradients on shear band nucleation and evolution. In contrast, the present work considers the coupling between temperature and strain gradients. The competition of thermal and strain gradient terms on the onset of instability and its dependence on specimen size is illustrated. It is shown that heat conduction promotes the instability initiation in the hardening part of the homogeneous stress-strain, while the strain gradient term favors the occurrence of this initiation in the softening regime. This behavior is size dependent, i.e., small specimens can support stable homogeneous deformations even in the softening regime. The spacing of adiabatic shear bands is also evaluated by considering the dominant instability mode during the primary stages of the localization process and it is found that it is an increasing function of the strain gradient coefficient.

  18. Steam bottoming cycle for an adiabatic diesel engine

    NASA Technical Reports Server (NTRS)

    Poulin, E.; Demier, R.; Krepchin, I.; Walker, D.

    1984-01-01

    Steam bottoming cycles using adiabatic diesel engine exhaust heat which projected substantial performance and economic benefits for long haul trucks were studied. Steam cycle and system component variables, system cost, size and performance were analyzed. An 811 K/6.90 MPa state of the art reciprocating expander steam system with a monotube boiler and radiator core condenser was selected for preliminary design. The costs of the diesel with bottoming system (TC/B) and a NASA specified turbocompound adiabatic diesel with aftercooling with the same total output were compared, the annual fuel savings less the added maintenance cost was determined to cover the increase initial cost of the TC/B system in a payback period of 2.3 years. Steam bottoming system freeze protection strategies were developed, technological advances required for improved system reliability are considered and the cost and performance of advanced systes are evaluated.

  19. Coherent adiabatic transport of atoms in radio-frequency traps

    SciTech Connect

    Morgan, T.; O'Sullivan, B.; Busch, Th.

    2011-05-15

    Coherent transport by adiabatic passage has recently been suggested as a high-fidelity technique to engineer the center-of-mass state of single atoms in inhomogeneous environments. While the basic theory behind this process is well understood, several conceptual challenges for its experimental observation have still to be addressed. One of these is the difficulty that currently available optical or magnetic micro-trap systems have in adjusting the tunneling rate time dependently while keeping resonance between the asymptotic trapping states at all times. Here we suggest that both requirements can be fulfilled to a very high degree in an experimentally realistic setup based on radio-frequency traps on atom chips. We show that operations with close to 100% fidelity can be achieved and that these systems also allow significant improvements for performing adiabatic passage with interacting atomic clouds.

  20. Two-mode multiplexer and demultiplexer based on adiabatic couplers.

    PubMed

    Xing, Jiejiang; Li, Zhiyong; Xiao, Xi; Yu, Jinzhong; Yu, Yude

    2013-09-01

    A two-mode (de)multiplexer based on adiabatic couplers is proposed and experimentally demonstrated. The experimental results are in good agreement with the simulations. An ultralow mode cross talk below -36 dB and a low insertion loss of about 0.3 dB over a broad bandwidth from 1500 to 1600 nm are measured. The design is also fabrication-tolerant, and the insertion loss can be further improved in the future. PMID:23988986