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Sample records for adiabatic local-density approximation

  1. 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.

  2. Local Density Approximation Exchange-correlation Free-energy Functional

    NASA Astrophysics Data System (ADS)

    Karasiev, Valentin; Sjostrom, Travis; Dufty, James; Trickey, S. B.

    2014-03-01

    Restricted path integral Monte-Carlo (RPIMC) simulation data for the homogeneous electron gas at finite temperatures are used to fit the exchange-correlation free energy as a function of the density and temperature. Together with a new finite- T spin-polarization interpolation, this provides the local spin density approximation (LSDA) for the exchange-correlation free-energy functional required by finite- T density functional theory. We discuss and compare different methods of fitting to the RPIMC data. The new function reproduces the RPIMC data in the fitting range of Wigner-Seitz radius and temperature, satisfies correct high-density, low- and high- T asymptotic limits and is applicable beyond the range of fitting data. Work supported by U.S. Dept. of Energy, grant DE-SC0002139 and by the DOE Office of Fusion Sciences (FES).

  3. 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.

  4. Comment on 'Intermolecular interaction potentials of the methane dimer from the local density approximation'

    SciTech Connect

    Li, Arvin H.-T.; Chao, S.D.

    2006-01-15

    To verify the recently calculated intermolecular interaction potentials of the methane dimer within the density functional theory using the (Perdew) local density approximation (LDA) [Chen et al., Phys. Rev. A 69, 034701 (2004)], we have performed a parallel series of calculations using the LDA/6-311++G (3df, 3pd) level of theory with selected exchange functionals (B, G96, MPW, O, PBE, PW91, S, and XA). None of the above calculated intermolecular interaction potentials from the local density approximation reproduce the results reported in the commented paper. In addition, we point out the inappropriateness of using the Lennard-Jones function to model the long-range parts of the calculated intermolecular interaction potentials, as suggested positively by Chen et al.

  5. 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.

  6. Density functionals not based on the electron gas: local-density approximation for a Luttinger liquid.

    PubMed

    Lima, N A; Silva, M F; Oliveira, L N; Capelle, K

    2003-04-11

    By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems, one obtains a new class of density functionals, which by design account for the correlations present in the chosen reference system. This strategy is illustrated by constructing an explicit LDA for the one-dimensional Hubbard model. While the traditional ab initio LDA is based on a Fermi liquid (the three-dimensional interacting electron gas), this one is based on a Luttinger liquid. First applications to inhomogeneous Hubbard models, including one containing a localized impurity, are reported.

  7. Density functionals not based on the electron gas: local-density approximation for a Luttinger liquid.

    PubMed

    Lima, N A; Silva, M F; Oliveira, L N; Capelle, K

    2003-04-11

    By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems, one obtains a new class of density functionals, which by design account for the correlations present in the chosen reference system. This strategy is illustrated by constructing an explicit LDA for the one-dimensional Hubbard model. While the traditional ab initio LDA is based on a Fermi liquid (the three-dimensional interacting electron gas), this one is based on a Luttinger liquid. First applications to inhomogeneous Hubbard models, including one containing a localized impurity, are reported. PMID:12731934

  8. 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.

  9. Gradient corrections to the local-density approximation for trapped superfluid Fermi gases

    SciTech Connect

    Csordas, Andras; Almasy, Orsolya; Szepfalusy, Peter

    2010-12-15

    Two species superfluid Fermi gas is investigated on the BCS side up to the Feshbach resonance. Using the Greens's function technique gradient corrections are calculated to the generalized Thomas-Fermi theory including Cooper pairing. Their relative magnitude is found to be measured by the small parameter (d/R{sub TF}){sup 4}, where d is the oscillator length of the trap potential and R{sub TF} is the radial extension of the density n in the Thomas-Fermi approximation. In particular, at the Feshbach resonance the universal corrections to the local density approximation are calculated and a universal prefactor {kappa}{sub W}=7/27 is derived for the von Weizsaecker-type correction {kappa}{sub W}(({h_bar}/2{pi}){sup 2}/2m)({nabla}{sup 2}n{sup 1/2}/n{sup 1/2}).

  10. Time-dependent local density approximation study of attosecond time delays in the photoionization of xenon

    NASA Astrophysics Data System (ADS)

    Magrakvelidze, Maia; Madjet, Mohamed; Chakraborty, Himadri

    2016-05-01

    We investigate Wigner-Smith (WS) time delays of the photoionization from various subshells of xenon using the time-dependent local density approximation (TDLDA) with the Leeuwen and Baerends exchange-correlation functional. At the 4d giant dipole resonance region as well as near all the Cooper minimum anti-resonances in 5p, 5s and 4d photoemissions, effects of electron correlations uniquely determine the shapes of the emission quantum phase. The Wigner-Smith time delay derived from this phase indicates significant variations as a function of energy. The results qualitatively support our TDLDA predictions at the fullerene plasmon region and at 3p Cooper minimum in argon, and should encourage attosecond measurements of Xe photoemission via two-photon interferometric techniques, such as RABITT. The work is supported by the NSF, USA.

  11. Relativistic Coulomb excitation within the time dependent superfluid local density approximation

    SciTech Connect

    Stetcu, I.; Bertulani, C. A.; Bulgac, A.; Magierski, P.; Roche, K. J.

    2015-01-06

    Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, the dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.

  12. Electronic viscosity in a quantum well: A test for the local-density approximation

    NASA Astrophysics Data System (ADS)

    D'Agosta, Roberto; di Ventra, Massimiliano; Vignale, Giovanni

    2007-07-01

    In the local-density approximation (LDA) for electronic time-dependent current-density-functional theory, many-body effects are described in terms of the viscoelastic constants of the homogeneous three-dimensional electron gas. In this paper, we critically examine the applicability of the three-dimensional LDA to the calculation of the viscous damping of one-dimensional collective oscillations of angular frequency ω in a quasi-two-dimensional quantum well. We calculate the effective viscosity ζ(ω) from perturbation theory in the screened Coulomb interaction and compare it with the commonly used three-dimensional LDA viscosity Y(ω) . Significant differences are found. At low frequency, Y(ω) is dominated by a shear term, which is absent in ζ(ω) . At high frequency, ζ(ω) and Y(ω) exhibit different power-law behaviors ( ω-3 and ω-5/2 , respectively), reflecting different spectral densities of electron-hole excitations in two and three dimensions. These findings demonstrate the need for better approximations for the exchange-correlation stress tensor in specific systems where the use of the three-dimensional functionals may lead to unphysical results.

  13. Symmetry-broken local-density approximation for one-dimensional systems

    NASA Astrophysics Data System (ADS)

    Rogers, Fergus J. M.; Ball, Caleb J.; Loos, Pierre-François

    2016-06-01

    Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock (HF) energies of the uniform electron gas (UEG), together with analytic perturbative results from the high- and low-density regimes. Near-exact energies are obtained by performing accurate diffusion Monte Carlo calculations, while HF energies are usually assumed to be the Fermi fluid HF energy. However, it has been known since the seminal work of A. W. Overhauser [Phys. Rev. Lett. 3, 414 (1959), 10.1103/PhysRevLett.3.414; Phys. Rev. 128, 1437 (1962), 10.1103/PhysRev.128.1437] that one can obtain lower, symmetry-broken (SB) HF energies at any density. Here, we have computed the SBHF energies of the one-dimensional UEG and constructed a SB version of the LDA (SBLDA) from the results. We compare the performance of the LDA and SBLDA functionals when applied to one-dimensional systems, including atoms and molecules. Generalization to higher dimensions is also discussed.

  14. Relativistic Coulomb excitation within the time dependent superfluid local density approximation

    DOE PAGES

    Stetcu, I.; Bertulani, C. A.; Bulgac, A.; Magierski, P.; Roche, K. J.

    2015-01-06

    Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, themore » dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.« less

  15. Local density approximation results for bond length alternation in the infinite polyyne chain

    NASA Astrophysics Data System (ADS)

    Bylaska, Eric; Weare, John

    1998-03-01

    Calculations for large even numbered carbon ring molecules and band structure calculations for the infinite polyyne chain within the local density approximation are reported. We studied the alternation of bond lengths in this system as a function of size. Particular focus is on alternation in the infinite system. For intermediate and large sized Cn rings with n satisfying n=4N (doubly-antiaromatic rings) there is a substantial first order Jahn-Teller distortion which decreases for large N. On the other hand, for Cn rings satisfying n=4N+2 (doubly-aromatic rings) the second order Jahn-Teller distortion does not produce bond length alternation even by the large C_42 ring. The persistance of aromatic behavior in the very large carbon rings manifests itself in the band structure calculations by making the amount of bond length alternation predicted for the infinite polyyne chain extremely sensitive to the numerical treatment of the Brillouin zone. We have shown that the infinite polyyne has a finite amount of bond length alternation but the condensation energy is very small.

  16. Self-Interaction Corrected Electronic Structure and Energy Gap of CuAlO2 beyond Local Density Approximation

    NASA Astrophysics Data System (ADS)

    Nakanishi, Akitaka

    2011-05-01

    We implemented a self-interaction correction (SIC) into first-principles calculation code to go beyond local density approximation and applied it to CuAlO2. Our simulation shows that the valence band width calculated within the SIC is narrower than that calculated without the SIC because the SIC makes the d-band potential deeper. The energy gap calculated within the SIC expands and is close to experimental data.

  17. Phase diagrams of two-dimensional and three-dimensional disordered Bose gases in the local density approximation

    NASA Astrophysics Data System (ADS)

    Bourdel, Thomas

    2012-12-01

    We study superfluid transitions in bidimensional (2D) and tridimensional (3D) disordered and interacting Bose gases. We work in the limit of long-range correlated disorder such that it can be treated in the local density approximation. We present superfluid transition curves in both the disorder-temperature plane and the disorder-entropy plane in 2D and 3D Bose gases. Surprisingly, we find that a small amount of disorder is always favorable to the apparition of a superfluid. Our results offer a quantitative comparison with recent experiments in 2D disordered ultracold gases, for which no exact theory exists.

  18. Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

    DOE PAGES

    Giera, Brian; Lawrence Livermore National Lab.; Henson, Neil; Kober, Edward M.; Shell, M. Scott; Squires, Todd M.

    2015-02-27

    We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drivemore » strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.« less

  19. Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

    SciTech Connect

    Giera, Brian; Henson, Neil; Kober, Edward M.; Shell, M. Scott; Squires, Todd M.

    2015-02-27

    We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drive strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.

  20. 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.

  1. A counterexample and a modification to the adiabatic approximation theorem in quantum mechanics

    NASA Technical Reports Server (NTRS)

    Gingold, H.

    1991-01-01

    A counterexample to the adiabatic approximation theorem is given when degeneracies are present. A formulation of an alternative version is proposed. A complete asymptotic decomposition for n dimensional self-adjoint Hamiltonian systems is restated and used.

  2. Charge exchange transition probability for collisions between unlike ions and atoms within the adiabatic approximation

    NASA Technical Reports Server (NTRS)

    Xu, Y. J.; Khandelwal, G. S.; Wilson, John W.

    1989-01-01

    A simple formula for the transition probability for electron exchange between unlike ions and atoms is established within the adiabatic approximation by employing the Linear Combination of Atomic Orbitals (LCAO) method. The formula also involves an adiabatic parameter, introduced by Massey, and thus the difficulties arising from the internal energy defect and the adiabatic approximation are avoided. Specific reactions Li(+++) + H to Li(++) + H(+) and Be(4+) + H to Be(3+) + H(+) are considered as examples. The calculated capture cross section results of the present work are compared with the experimental data and with the calculation of other authors over the velocity range of 10(7) cm/sec to 10(8) cm/sec.

  3. 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.

  4. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.

    PubMed

    Gritsenko, O V; Mentel, Ł M; Baerends, E J

    2016-05-28

    In spite of the high quality of exchange-correlation energies Exc obtained with the generalized gradient approximations (GGAs) of density functional theory, their xc potentials vxc are strongly deficient, yielding upshifts of ca. 5 eV in the orbital energy spectrum (in the order of 50% of high-lying valence orbital energies). The GGAs share this deficiency with the local density approximation (LDA). We argue that this error is not caused by the incorrect long-range asymptotics of vxc or by self-interaction error. It arises from incorrect density dependencies of LDA and GGA exchange functionals leading to incorrect (too repulsive) functional derivatives (i.e., response parts of the potentials). The vxc potential is partitioned into the potential of the xc hole vxchole (twice the xc energy density ϵxc), which determines Exc, and the response potential vresp, which does not contribute to Exc explicitly. The substantial upshift of LDA/GGA orbital energies is due to a too repulsive LDA exchange response potential vxresp (LDA) in the bulk region. Retaining the LDA exchange hole potential plus the B88 gradient correction to it but replacing the response parts of these potentials by the model orbital-dependent response potential vxresp (GLLB) of Gritsenko et al. [Phys. Rev. A 51, 1944 (1995)], which has the proper step-wise form, improves the orbital energies by more than an order of magnitude. Examples are given for the prototype molecules: dihydrogen, dinitrogen, carbon monoxide, ethylene, formaldehyde, and formic acid.

  5. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies

    NASA Astrophysics Data System (ADS)

    Gritsenko, O. V.; Mentel, Ł. M.; Baerends, E. J.

    2016-05-01

    In spite of the high quality of exchange-correlation energies Exc obtained with the generalized gradient approximations (GGAs) of density functional theory, their xc potentials vxc are strongly deficient, yielding upshifts of ca. 5 eV in the orbital energy spectrum (in the order of 50% of high-lying valence orbital energies). The GGAs share this deficiency with the local density approximation (LDA). We argue that this error is not caused by the incorrect long-range asymptotics of vxc or by self-interaction error. It arises from incorrect density dependencies of LDA and GGA exchange functionals leading to incorrect (too repulsive) functional derivatives (i.e., response parts of the potentials). The vxc potential is partitioned into the potential of the xc hole vxchole (twice the xc energy density ɛxc), which determines Exc, and the response potential vresp, which does not contribute to Exc explicitly. The substantial upshift of LDA/GGA orbital energies is due to a too repulsive LDA exchange response potential vxresp L D A in the bulk region. Retaining the LDA exchange hole potential plus the B88 gradient correction to it but replacing the response parts of these potentials by the model orbital-dependent response potential vxresp G L L B of Gritsenko et al. [Phys. Rev. A 51, 1944 (1995)], which has the proper step-wise form, improves the orbital energies by more than an order of magnitude. Examples are given for the prototype molecules: dihydrogen, dinitrogen, carbon monoxide, ethylene, formaldehyde, and formic acid.

  6. Quantum theory for pulse propagation in electromagnetically-induced-transparency media beyond the adiabatic approximation

    NASA Astrophysics Data System (ADS)

    Chuang, You-Lin; Yu, Ite A.; Lee, Ray-Kuang

    2015-06-01

    Beyond the adiabatic approximation, we develop a quantum theory for optical probe pulses propagating in electromagnetically-induced-transparency (EIT) media by including Langevin noise operators and asking the field operator to satisfy bosonic commutation relation. Influences on the degradation of quantum noise squeezing from optical depth of atomic ensemble, strength of control field, and ground-state decoherence are studied in the slow light, as well as storage and retrieval, for a squeezed probe pulse. Moreover, to give guidelines for realization of quantum interfaces based on EIT media, we demonstrate that the quantum squeezing of output probe pulses could be preserved with a stronger classical control field.

  7. Rotational excitation of H2 by positron impact in adiabatic rotational approximation

    NASA Astrophysics Data System (ADS)

    Zanin, Guilherme Luiz; Tenfen, Wagner; Arretche, Felipe

    2016-09-01

    We present rotational excitation cross sections for low energy scattering of positrons by H2, below positronium formation threshold (≈8.2 eV). The cross sections were computed from fixed-nuclei scattering amplitudes generated with the Schwinger multichannel method using the adiabatic rotational approximation. Comparison with other similar theoretical results shows that the magnitude of the cross section associated to the transition J i = 0 → J f = 2 is strongly affected by the methodology used to model the correlation-polarization effects.

  8. Statistical theory of rarified gases in the coulomb model of substance: Adiabatic approximation and initial atoms

    NASA Astrophysics Data System (ADS)

    Bobrov, V. B.

    2014-03-01

    In the framework of the adiabatic approximation for a subsystem of nuclei with the average distance between them significantly exceeding the dimensions of the initial atom, we consider a nonrelativistic Coulomb system consisting of electrons and nuclei of one type for the temperature range where we can restrict ourself to using the ground state to describe the electron subsystem. We show that the equilibrium properties of such a system are equivalent to the thermodynamic properties of the one-component system of initial atoms interacting between themselves via a short-range potential that is the effective potential of the nucleus-nucleus interaction. In the framework of the applicability of Boltzmann statistics, we present quantum group expansions for the thermodynamic properties of a chemically reacting rarified gas that correspond to the method of initial atoms.

  9. Einstein-Maxwell Dirichlet walls, negative kinetic energies, and the adiabatic approximation for extreme black holes

    NASA Astrophysics Data System (ADS)

    Andrade, Tomás; Kelly, William R.; Marolf, Donald

    2015-10-01

    The gravitational Dirichlet problem—in which the induced metric is fixed on boundaries at finite distance from the bulk—is related to simple notions of UV cutoffs in gauge/gravity duality and appears in discussions relating the low-energy behavior of gravity to fluid dynamics. We study the Einstein-Maxwell version of this problem, in which the induced Maxwell potential on the wall is also fixed. For flat walls in otherwise asymptotically flat spacetimes, we identify a moduli space of Majumdar-Papapetrou-like static solutions parametrized by the location of an extreme black hole relative to the wall. Such solutions may be described as balancing gravitational repulsion from a negative-mass image source against electrostatic attraction to an oppositely signed image charge. Standard techniques for handling divergences yield a moduli space metric with an eigenvalue that becomes negative near the wall, indicating a region of negative kinetic energy and suggesting that the Hamiltonian may be unbounded below. One may also surround the black hole with an additional (roughly spherical) Dirichlet wall to impose a regulator whose physics is more clear. Negative kinetic energies remain, though new terms do appear in the moduli space metric. The regulator dependence indicates that the adiabatic approximation may be ill-defined for classical extreme black holes with Dirichlet walls.

  10. All-coupling polaron optical response: Analytic approaches beyond the adiabatic approximation

    NASA Astrophysics Data System (ADS)

    Klimin, S. N.; Tempere, J.; Devreese, J. T.

    2016-09-01

    In the present work, the problem of an all-coupling analytic description for the optical conductivity of the Fröhlich polaron is treated, with the goal being to bridge the gap in the validity range that exists between two complementary methods: on the one hand, the memory-function formalism and, on the other hand, the strong-coupling expansion based on the Franck-Condon picture for the polaron response. At intermediate coupling, both methods were found to fail as they do not reproduce diagrammatic quantum Monte Carlo results. To resolve this, we modify the memory-function formalism with respect to the Feynman-Hellwarth-Iddings-Platzman approach in order to take into account a nonquadratic interaction in a model system for the polaron. The strong-coupling expansion is extended beyond the adiabatic approximation by including in the treatment nonadiabatic transitions between excited polaron states. The polaron optical conductivity that we obtain at T =0 by combining the two extended methods agrees well, both qualitatively and quantitatively, with the diagrammatic quantum Monte Carlo results in the whole available range of the electron-phonon coupling strength.

  11. Tunneling splittings in formic acid dimer: An adiabatic approximation to the Herring formula

    NASA Astrophysics Data System (ADS)

    Jain, Amber; Sibert, Edwin L.

    2015-02-01

    Small symmetric molecules and low-dimensional model Hamiltonians are excellent systems for benchmarking theories to compute tunneling splittings. In this work, we investigate a three dimensional model Hamiltonian coupled to a harmonic bath that describes concerted proton transfer in the formic acid dimer. The three modes include the symmetric proton stretch, the symmetric dimer rock, and the dimer stretch. These modes provide a paradigm for the symmetric and anti-symmetric coupled tunneling pathways, these being recognized in the literature as two of the more important classes of coupling. The effects of selective vibrational excitation and coupling to a bath on the tunneling splittings are presented. The splittings for highly excited states are computed using a novel method that makes an adiabatic approximation to the Herring estimate. Results, which are in excellent agreement with the exact splittings, are compared with those obtained using the Makri-Miller approach. This latter method has been shown to provide quality results for tunneling splittings including highly excited vibrational states.

  12. Tunneling splittings in formic acid dimer: An adiabatic approximation to the Herring formula

    SciTech Connect

    Jain, Amber; Sibert, Edwin L.

    2015-02-28

    Small symmetric molecules and low-dimensional model Hamiltonians are excellent systems for benchmarking theories to compute tunneling splittings. In this work, we investigate a three dimensional model Hamiltonian coupled to a harmonic bath that describes concerted proton transfer in the formic acid dimer. The three modes include the symmetric proton stretch, the symmetric dimer rock, and the dimer stretch. These modes provide a paradigm for the symmetric and anti-symmetric coupled tunneling pathways, these being recognized in the literature as two of the more important classes of coupling. The effects of selective vibrational excitation and coupling to a bath on the tunneling splittings are presented. The splittings for highly excited states are computed using a novel method that makes an adiabatic approximation to the Herring estimate. Results, which are in excellent agreement with the exact splittings, are compared with those obtained using the Makri-Miller approach. This latter method has been shown to provide quality results for tunneling splittings including highly excited vibrational states.

  13. First-Principles Study on Electronic Structure and Spin State of Rutile (Ti,Co)O2 by Self-Interaction-Corrected Local Density Approximation: Role of Oxygen Vacancy

    NASA Astrophysics Data System (ADS)

    Kizaki, Hidetoshi; Toyoda, Masayuki; Sato, Kazunori; Katayama-Yoshida, Hiroshi

    2009-05-01

    Electronic structure of rutile-TiO2 based dilute magnetic semiconductors (DMS) are investigated within self-interaction-corrected local density approximation (SIC-LDA). These results are compared with those calculated within standard LDA. We employ the Korringa-Kohn-Rostoker method combined with coherent potential approximation. It is found that high-spin state in (Ti,Co)O2 with O vacancy is predicted in the SIC-LDA. This result is in good agreement with the experimental results. As a result, we find that O vacancy in (Ti,Co)O2 is the origin of Co2+ high-spin state and SIC-LDA is indispensable to describe the correct electronic structure and spin state of TiO2-based DMS.

  14. Optical weights and waterfalls in doped charge-transfer insulators: A local density approximation and dynamical mean-field theory study of La2-xSrxCuO4

    NASA Astrophysics Data System (ADS)

    Weber, Cédric; Haule, Kristjan; Kotliar, Gabriel

    2008-10-01

    We use the local density approximation in combination with the dynamical mean-field theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that result from doping a charge-transfer insulator, namely quasiparticles, Zhang-Rice singlet band, and the upper and lower Hubbard bands. Angle resolving these features, we identify a waterfall-like feature between the quasiparticle part and the incoherent part of the Zhang-Rice band. We investigate the asymmetry between particle and hole doping. On the hole-doped side, there is a very rapid transfer of spectral weight upon doping in the one particle spectra. The optical spectral weight increases superlinearly on the hole-doped side in agreement with experiments.

  15. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

    DOE PAGES

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles methodmore » can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.« less

  16. Analytical solutions to the backward Kolmogorov PDE via an adiabatic approximation to the Schrödinger PDE

    NASA Astrophysics Data System (ADS)

    Haven, Emmanuel

    2005-11-01

    Analytical solutions to the backward Kolmogorov PDE are very dependent on the functional form of b(y,t) and a(y,t). We suggest one solution technique for obtaining analytical solutions via the use of an adiabatic approximation to the Schrödinger PDE. This approximation takes the specific form of a so-called WKB (W D Wentzel [G. Wentzel, Eine Verallgemeinerung der Quantenbedingungen für die Zwecke der Wellenmechanik, Z. Phys. 38 (1926) 518-529], K D Kramers [H. Kramers, Wellenmechanik und halbzahlige Quantisierung, Z. Phys. 39 (1926) 828-840], B D Brillouin [L. Brillouin, La mécanique ondulatoire de Schrödinger: une méthode générale de résolution par approximations successives, C. R. Acad. Sci. 183 (1926) 24-26]) approximation. We provide for two examples, in financial option pricing, where we show how the proposed approximation could be of use.

  17. The diffusion approximation versus the telegraph equation for modeling solar energetic particle transport with adiabatic focusing. I. Isotropic pitch-angle scattering

    SciTech Connect

    Effenberger, Frederic; Litvinenko, Yuri E.

    2014-03-01

    The diffusion approximation to the Fokker-Planck equation is commonly used to model the transport of solar energetic particles in interplanetary space. In this study, we present exact analytical predictions of a higher order telegraph approximation for particle transport and compare them with the corresponding predictions of the diffusion approximation and numerical solutions of the full Fokker-Planck equation. We specifically investigate the role of the adiabatic focusing effect of a spatially varying magnetic field on an evolving particle distribution. Comparison of the analytical and numerical results shows that the telegraph approximation reproduces the particle intensity profiles much more accurately than does the diffusion approximation, especially when the focusing is strong. However, the telegraph approximation appears to offer no significant advantage over the diffusion approximation for calculating the particle anisotropy. The telegraph approximation can be a useful tool for describing both diffusive and wave-like aspects of the cosmic-ray transport.

  18. Localized density matrix minimization and linear-scaling algorithms

    NASA Astrophysics Data System (ADS)

    Lai, Rongjie; Lu, Jianfeng

    2016-06-01

    We propose a convex variational approach to compute localized density matrices for both zero temperature and finite temperature cases, by adding an entry-wise ℓ1 regularization to the free energy of the quantum system. Based on the fact that the density matrix decays exponentially away from the diagonal for insulating systems or systems at finite temperature, the proposed ℓ1 regularized variational method provides an effective way to approximate the original quantum system. We provide theoretical analysis of the approximation behavior and also design convergence guaranteed numerical algorithms based on Bregman iteration. More importantly, the ℓ1 regularized system naturally leads to localized density matrices with banded structure, which enables us to develop approximating algorithms to find the localized density matrices with computation cost linearly dependent on the problem size.

  19. Consistent dynamics of the components of an elliptically polarised wave with zero mean amplitudes in a nonlinear isotropic gyrotropic medium in the adiabatic approximation

    SciTech Connect

    Makarov, V A; Petnikova, V M; Rudenko, K V; Shuvalov, V V

    2015-01-31

    The adiabatic approximation is used to obtain an analytical solution to a nonintegrable problem of propagation of a plane elliptically polarised light wave with zero mean amplitudes of orthogonal circularly polarised field components through an isotropic gyrotropic medium with local and nonlocal components of Kerr nonlinearity and second-order group velocity dispersion. We describe the aperiodic evolution of bound (attributable to the medium nonlinearity) paired states, which are responsible for the propagation of two orthogonal polarisation components – cnoidal waves with significantly different periods. (nonlinear optical phenomena)

  20. Spatial Symmetries of the Local Densities

    SciTech Connect

    Rohozinski, S.; Dobaczewski, J.; Nazarewicz, Witold

    2010-01-01

    Spatial symmetries of the densities appearing in the nuclear Density Functional Theory are discussed. General forms of the local densities are derived by using methods of construction of isotropic tensor fields. The spherical and axial cases are considered.

  1. 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.

  2. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

    SciTech Connect

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles method can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.

  3. A fast parallel code for calculating energies and oscillator strengths of many-electron atoms at neutron star magnetic field strengths in adiabatic approximation

    NASA Astrophysics Data System (ADS)

    Engel, D.; Klews, M.; Wunner, G.

    2009-02-01

    We have developed a new method for the fast computation of wavelengths and oscillator strengths for medium-Z atoms and ions, up to iron, at neutron star magnetic field strengths. The method is a parallelized Hartree-Fock approach in adiabatic approximation based on finite-element and B-spline techniques. It turns out that typically 15-20 finite elements are sufficient to calculate energies to within a relative accuracy of 10-5 in 4 or 5 iteration steps using B-splines of 6th order, with parallelization speed-ups of 20 on a 26-processor machine. Results have been obtained for the energies of the ground states and excited levels and for the transition strengths of astrophysically relevant atoms and ions in the range Z=2…26 in different ionization stages. Catalogue identifier: AECC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3845 No. of bytes in distributed program, including test data, etc.: 27 989 Distribution format: tar.gz Programming language: MPI/Fortran 95 and Python Computer: Cluster of 1-26 HP Compaq dc5750 Operating system: Fedora 7 Has the code been vectorised or parallelized?: Yes RAM: 1 GByte Classification: 2.1 External routines: MPI/GFortran, LAPACK, PyLab/Matplotlib Nature of problem: Calculations of synthetic spectra [1] of strongly magnetized neutron stars are bedevilled by the lack of data for atoms in intense magnetic fields. While the behaviour of hydrogen and helium has been investigated in detail (see, e.g., [2]), complete and reliable data for heavier elements, in particular iron, are still missing. Since neutron stars are formed by the collapse of the iron cores of massive stars, it may be assumed that their atmospheres contain an iron plasma. Our objective is to fill the gap

  4. A fast parallel code for calculating energies and oscillator strengths of many-electron atoms at neutron star magnetic field strengths in adiabatic approximation

    NASA Astrophysics Data System (ADS)

    Engel, D.; Klews, M.; Wunner, G.

    2009-02-01

    We have developed a new method for the fast computation of wavelengths and oscillator strengths for medium-Z atoms and ions, up to iron, at neutron star magnetic field strengths. The method is a parallelized Hartree-Fock approach in adiabatic approximation based on finite-element and B-spline techniques. It turns out that typically 15-20 finite elements are sufficient to calculate energies to within a relative accuracy of 10-5 in 4 or 5 iteration steps using B-splines of 6th order, with parallelization speed-ups of 20 on a 26-processor machine. Results have been obtained for the energies of the ground states and excited levels and for the transition strengths of astrophysically relevant atoms and ions in the range Z=2…26 in different ionization stages. Catalogue identifier: AECC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3845 No. of bytes in distributed program, including test data, etc.: 27 989 Distribution format: tar.gz Programming language: MPI/Fortran 95 and Python Computer: Cluster of 1-26 HP Compaq dc5750 Operating system: Fedora 7 Has the code been vectorised or parallelized?: Yes RAM: 1 GByte Classification: 2.1 External routines: MPI/GFortran, LAPACK, PyLab/Matplotlib Nature of problem: Calculations of synthetic spectra [1] of strongly magnetized neutron stars are bedevilled by the lack of data for atoms in intense magnetic fields. While the behaviour of hydrogen and helium has been investigated in detail (see, e.g., [2]), complete and reliable data for heavier elements, in particular iron, are still missing. Since neutron stars are formed by the collapse of the iron cores of massive stars, it may be assumed that their atmospheres contain an iron plasma. Our objective is to fill the gap

  5. Local density fluctuations and hyperuniformity in quasicrystals

    NASA Astrophysics Data System (ADS)

    Oğuz, Erdal Celal; Torquato, Salvatore

    2015-03-01

    Local density fluctuations in many-body systems are of fundamental importance throughout various scientific disciplines, including physics, materials science, number theory and biology. In a point pattern, let the variance associated with the number of points contained in a spherical window of radius R be denoted by σ2 (R) . Hyperuniform point patterns in d dimensions do not possess infinite-wavelength fluctuations or, equivalently, possess a number variance that grows more slowly than the window volume, i.e., Rd. Hyperuniform systems include all infinite periodic structures, aperiodic quasicrystals, and some special disordered systems. Previous investigations showed that the number variance for large R in hyperuniform systems serves as a useful metric to rank order systems according to the degree to which large-scale density fluctuations are suppressed. In this work, we investigate the number variance of two-dimensional quasicrystals with a variety of different rotational symmetries. We study how the number variance depends on the rotational symmetry and local isomorphism class of the quasicrystal. We compare these results to a number of different periodic systems as well as disordered hyperuniform systems. ECO acknowledges the support from the German Research Foundation (DFG).

  6. Validity of local density prescriptions for microscopic calculations of proton nucleus elastic scattering

    SciTech Connect

    Crespo, R.; Johnson, R.C.; Tostevin, J.A. )

    1994-12-01

    The validity of the local density approximation as applied to the construction of the nucleon-nucleus optical potential is studied. A Wentzel-Kramers-Brillouin (WKB) local equivalent potential to the second-order term of the Kerman, McManus, and Thaler (KMT) multiple scattering expansion of the nucleon nucleus optical potential is derived. Assuming that the nucleon-nucleon transition amplitude is on the energy shell, we compare the microscopic KMT optical potential with the approximate potential deduced from the nuclear matter limit by use of the local density approximation. Calculations are presented for the nucleon-[sup 16]O system at 135 and 200 MeV incident energies. It is shown that the use of the local density prescription leads to surface peaking of the optical potential. This effect is absent from the second-order term of the optical potential derived microscopically from the KMT approach.

  7. Local density maxima - Progenitors of structure. [of galaxies

    NASA Technical Reports Server (NTRS)

    Hoffman, Y.; Shaham, J.

    1985-01-01

    Beginning with a short review of the observational data and of some previous theoretical ideas and numerical simulations, the question is addressed of how the large-scale structure that emerges around local density maxima depends on the nature of the primordial density perturbations field. The density contrast profile around local maxima is given, to a good approximation, by the primordial two-point correlation function. The mean number density of objects of a given core mass is calculated as a function of the primordial power spectrum, p(k). In an open universe, rich clusters should have halos steeper than galactic haloes. The observed structure is found to be consistent with omega-sub-zero less than 1.0 and n = -1.

  8. 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.

  9. Local Density of States for Single Impurity in Graphene

    NASA Astrophysics Data System (ADS)

    Yang, Ling

    2011-12-01

    Graphene consists of an atom-thick layer of carbon atoms arranged in a honeycomb lattice, and its low-energy electronic excitations are well described as massless Dirac fermions with spin half and an additional pseudospin degree of freedom. Impurities in graphene can have a significant effect on the local electronic structure of graphene when the Fermi level is near the Dirac point. We study the local electronic spectra and real-space and k-space local density of state (LDOS) maps of graphene with different impurities (diagonal and non-diagonal impurity potential) such as vacancies, substitutional impurities, and adatoms. In the presence of a perpendicular magnetic field, we use a linearization approximation for the energy dispersion and employ a T-matrix formalism to calculate the Green's function. We investigate the effect of an external magnetic field on the Friedel oscillations and impurity-induced resonant states. Using a multimode description for an scanning tunneling microscope (STM) tip, we calculate STM currents for the substitutional and vacancies case and find that strong resonances in the LDOS at finite energies lead to the presence of steps in the STM current and suppression of the Fano factor. We also describe in detail the theory of scanning tunneling spectroscopy in graphene in the presence of adatoms, magnetic or not, with localized orbitals of arbitrary symmetry, corresponding to any given angular momentum state.We show that quantum interference effects which are naturally inbuilt in the honeycomb lattice, in combination with the orbital symmetry of the localized state, allow scanning tunneling probes to characterize adatoms and defects in graphene.

  10. 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.

  11. Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation.

    PubMed

    Hahn, T; Liebing, S; Kortus, J; Pederson, Mark R

    2015-12-14

    The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbital positions in structurally similar molecules appear to be transferable.

  12. Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

    NASA Astrophysics Data System (ADS)

    Hahn, Torsten; Liebing, Simon; Kortus, Jens; Pederson, Mark

    The correction of the self-interaction error that is inherent to all standard density functional theory (DFT) calculations is an object of increasing interest. We present our results on the application of the recently developed Fermi-orbital based approach for the self-interaction correction (FO-SIC) to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. Our focus lies on the direct estimation of the ionization potential from orbital eigenvalues and on the ordering of electronic levels in metal-organic molecules. Further, we show that the Fermi orbital positions in structurally similar molecules appear to be transferable. Support by DFG FOR1154 is greatly acknowledged.

  13. Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

    SciTech Connect

    Hahn, T. Liebing, S.; Kortus, J.; Pederson, Mark R.

    2015-12-14

    The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbital positions in structurally similar molecules appear to be transferable.

  14. Unitary Thermodynamics from Thermodynamic Geometry II: Fit to a Local-Density Approximation

    NASA Astrophysics Data System (ADS)

    Ruppeiner, George

    2015-10-01

    Strongly interacting Fermi gasses at low density possess universal thermodynamic properties that have recently seen very precise PVT measurements by a group at MIT. This group determined local thermodynamic properties of a system of ultracold atoms tuned to Feshbach resonance. In this paper, I analyze the MIT data with a thermodynamic theory of unitary thermodynamics based on ideas from critical phenomena. This theory was introduced in the first paper of this sequence and characterizes the scaled thermodynamics by the entropy per particle and the energy per particle Y( z), in units of the Fermi energy. Y( z) is in two segments, separated by a second-order phase transition at : a "superfluid" segment for and a "normal" segment for . For small z, the theory obeys a series where is a constant exponent and () are constant series coefficients. For large z, the theory obeys a perturbation of the ideal gas , where is a constant exponent and () are constant series coefficients. This limiting form for large z differs from the series used in the first paper and was necessary to fit the MIT data. I fit the MIT data by adjusting four free independent theory parameters: . This fit process was augmented by trap integration and comparison with earlier thermal data taken at Duke University. The overall match to both the data sets was good and had , , , scaled critical temperature , where is the Fermi temperature, and Bertsch parameter . I also discuss the virial expansion in the context of this thermodynamic geometric theory.

  15. 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).

  16. The local density of optical states of a metasurface.

    PubMed

    Lunnemann, Per; Koenderink, A Femius

    2016-01-01

    While metamaterials are often desirable for near-field functions, such as perfect lensing, or cloaking, they are often quantified by their response to plane waves from the far field. Here, we present a theoretical analysis of the local density of states near lattices of discrete magnetic scatterers, i.e., the response to near field excitation by a point source. Based on a pointdipole theory using Ewald summation and an array scanning method, we can swiftly and semi-analytically evaluate the local density of states (LDOS) for magnetoelectric point sources in front of an infinite two-dimensional (2D) lattice composed of arbitrary magnetoelectric dipole scatterers. The method takes into account radiation damping as well as all retarded electrodynamic interactions in a self-consistent manner. We show that a lattice of magnetic scatterers evidences characteristic Drexhage oscillations. However, the oscillations are phase shifted relative to the electrically scattering lattice consistent with the difference expected for reflection off homogeneous magnetic respectively electric mirrors. Furthermore, we identify in which source-surface separation regimes the metasurface may be treated as a homogeneous interface, and in which homogenization fails. A strong frequency and in-plane position dependence of the LDOS close to the lattice reveals coupling to guided modes supported by the lattice. PMID:26868601

  17. Local density variation of gold nanoparticles in aquatic environments

    NASA Astrophysics Data System (ADS)

    Hosseinzadeh, F.; Shirazian, F.; Shahsavari, R.; Khoei, A. R.

    2016-10-01

    Gold (Au) nanoparticles are widely used in diagnosing cancer, imaging, and identification of therapeutic methods due to their particular quantum characteristics. This research presents different types of aqueous models and potentials used in TIP3P, to study the effect of the particle size and density of Au clusters in aquatic environments; so it can be useful to facilitate future investigation of the interaction of proteins with Au nanoparticles. The EAM potential is used to model the structure of gold clusters. It is observed that in the systems with identical gold/water density and different cluster radii, gold particles are distributed in aqueous environment almost identically. Thus, Au particles have identical local densities, and the root mean square displacement (RMSD) increases with a constant slope. However in systems with constant cluster radii and different gold/water densities, Au particle dispersion increases with density; as a result, the local density decreases and the RMSD increases with a larger slope. In such systems, the larger densities result in more blunted second peaks in gold-gold radial distribution functions, owing to more intermixing of the clusters and less FCC crystalline features at longer range, a mechanism that is mediated by the competing effects of gold-water and gold-gold interactions.

  18. The local density of optical states of a metasurface

    NASA Astrophysics Data System (ADS)

    Lunnemann, Per; Koenderink, A. Femius

    2016-02-01

    While metamaterials are often desirable for near-field functions, such as perfect lensing, or cloaking, they are often quantified by their response to plane waves from the far field. Here, we present a theoretical analysis of the local density of states near lattices of discrete magnetic scatterers, i.e., the response to near field excitation by a point source. Based on a pointdipole theory using Ewald summation and an array scanning method, we can swiftly and semi-analytically evaluate the local density of states (LDOS) for magnetoelectric point sources in front of an infinite two-dimensional (2D) lattice composed of arbitrary magnetoelectric dipole scatterers. The method takes into account radiation damping as well as all retarded electrodynamic interactions in a self-consistent manner. We show that a lattice of magnetic scatterers evidences characteristic Drexhage oscillations. However, the oscillations are phase shifted relative to the electrically scattering lattice consistent with the difference expected for reflection off homogeneous magnetic respectively electric mirrors. Furthermore, we identify in which source-surface separation regimes the metasurface may be treated as a homogeneous interface, and in which homogenization fails. A strong frequency and in-plane position dependence of the LDOS close to the lattice reveals coupling to guided modes supported by the lattice.

  19. The local density of optical states of a metasurface

    PubMed Central

    Lunnemann, Per; Koenderink, A. Femius

    2016-01-01

    While metamaterials are often desirable for near-field functions, such as perfect lensing, or cloaking, they are often quantified by their response to plane waves from the far field. Here, we present a theoretical analysis of the local density of states near lattices of discrete magnetic scatterers, i.e., the response to near field excitation by a point source. Based on a pointdipole theory using Ewald summation and an array scanning method, we can swiftly and semi-analytically evaluate the local density of states (LDOS) for magnetoelectric point sources in front of an infinite two-dimensional (2D) lattice composed of arbitrary magnetoelectric dipole scatterers. The method takes into account radiation damping as well as all retarded electrodynamic interactions in a self-consistent manner. We show that a lattice of magnetic scatterers evidences characteristic Drexhage oscillations. However, the oscillations are phase shifted relative to the electrically scattering lattice consistent with the difference expected for reflection off homogeneous magnetic respectively electric mirrors. Furthermore, we identify in which source-surface separation regimes the metasurface may be treated as a homogeneous interface, and in which homogenization fails. A strong frequency and in-plane position dependence of the LDOS close to the lattice reveals coupling to guided modes supported by the lattice. PMID:26868601

  20. 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.

  1. 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)

  2. Local density of states and scanning tunneling currents in graphene

    NASA Astrophysics Data System (ADS)

    Yang, Ling; Peres, Nuno; Tsai, Shan-Wen

    2010-03-01

    Graphene consists of an atom-thick layer of carbon atoms arranged in a honeycomb lattice, and its low-energy electronic excitations are well described as massless Dirac fermions with spin half and an additional pseudospin degree of freedom. We study local properties of graphene with isolated impurities (diagonal and non-diagonal impurity potential) such as the local electronic spectra and real-space and k-space local density of state (LDOS) maps. Using a multimode description for an scanning tunneling microscope (STM) tip, we calculate STM currents and find that strong resonances in the LDOS at finite energies lead to the presence of steps in the STM current and suppression of the Fano factor. [Ref: N. M. R. Peres, L. Yang, and S.-W. Tsai, New J. Phys. 11, 095007, (2009)

  3. 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.

  4. 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.

  5. Model-free test of local-density mean-field behavior in electric double layers

    NASA Astrophysics Data System (ADS)

    Giera, Brian; Henson, Neil; Kober, Edward M.; Squires, Todd M.; Shell, M. Scott

    2013-07-01

    We derive a self-similarity criterion that must hold if a planar electric double layer (EDL) can be captured by a local-density approximation (LDA), without specifying any specific LDA. Our procedure generates a similarity coordinate from EDL profiles (measured or computed), and all LDA EDL profiles for a given electrolyte must collapse onto a master curve when plotted against this similarity coordinate. Noncollapsing profiles imply the inability of any LDA theory to capture EDLs in that electrolyte. We demonstrate our approach with molecular simulations, which reveal dilute electrolytes to collapse onto a single curve, and semidilute ions to collapse onto curves specific to each electrolyte, except where size-induced correlations arise.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Global hybrids from the semiclassical atom theory satisfying the local density linear response.

    PubMed

    Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

    2015-01-13

    We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided. PMID:26574210

  13. 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.

  14. Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting.

    PubMed

    Köppl, Christoph; Werner, Hans-Joachim

    2016-07-12

    Calculations using modern linear-scaling electron-correlation methods are often much faster than the necessary reference Hartree-Fock (HF) calculations. We report a newly implemented HF program that speeds up the most time-consuming step, namely, the evaluation of the exchange contributions to the Fock matrix. Using localized orbitals and their sparsity, local density fitting (LDF), and atomic orbital domains, we demonstrate that the calculation of the exchange matrix scales asymptotically linearly with molecular size. The remaining parts of the HF calculation scale cubically but become dominant only for very large molecular sizes or with many processing cores. The method is well parallelized, and the speedup scales well with up to about 100 CPU cores on multiple compute nodes. The effect of the local approximations on the accuracy of computed HF and local second-order Møller-Plesset perturbation theory energies is systematically investigated, and default values are established for the parameters that determine the domain sizes. Using these values, calculations for molecules with hundreds of atoms in combination with triple-ζ basis sets can be carried out in less than 1 h, with just a few compute nodes. The method can also be used to speed up density functional theory calculations with hybrid functionals that contain HF exchange. PMID:27267488

  15. 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.

  16. 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.

  17. Local densities connect spatial ecology to game, multilevel selection and inclusive fitness theories of cooperation.

    PubMed

    Tekwa, Edward W; Gonzalez, Andrew; Loreau, Michel

    2015-09-01

    Cooperation plays a crucial role in many aspects of biology. We use the spatial ecological metrics of local densities to measure and model cooperative interactions. While local densities can be found as technical details in current theories, we aim to establish them as central to an approach that describes spatial effects in the evolution of cooperation. A resulting local interaction model neatly partitions various spatial and non-spatial selection mechanisms. Furthermore, local densities are shown to be fundamental for important metrics of game theory, multilevel selection theory and inclusive fitness theory. The corresponding metrics include structure coefficients, spatial variance, contextual covariance, relatedness, and inbreeding coefficient or F-statistics. Local densities serve as the basis of an emergent spatial theory that draws from and brings unity to multiple theories of cooperation.

  18. 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.

  19. Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

    NASA Astrophysics Data System (ADS)

    Patrick, Christopher E.; Thygesen, Kristian S.

    2015-09-01

    We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k2 divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a test set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H2 molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA's tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.

  20. Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

    SciTech Connect

    Patrick, Christopher E. Thygesen, Kristian S.

    2015-09-14

    We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k{sup 2} divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a test set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H{sub 2} molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA’s tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.

  1. 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.…

  2. 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.

  3. 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.

  4. 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.

  5. Correction of localized shape errors on optical surfaces by altering the localized density of surface or near-surface layers

    DOEpatents

    Taylor, John S.; Folta, James A.; Montcalm, Claude

    2005-01-18

    Figure errors are corrected on optical or other precision surfaces by changing the local density of material in a zone at or near the surface. Optical surface height is correlated with the localized density of the material within the same region. A change in the height of the optical surface can then be caused by a change in the localized density of the material at or near the surface.

  6. Water dynamics: relation between hydrogen bond bifurcations, molecular jumps, local density & hydrophobicity.

    PubMed

    Titantah, John Tatini; Karttunen, Mikko

    2013-10-21

    Structure and dynamics of water remain a challenge. Resolving the properties of hydrogen bonding lies at the heart of this puzzle. We employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total simulation time was ≈ 2 ns. Both bulk water and water in the presence of a small hydrophobic molecule were simulated. We show that large-angle jumps and bond bifurcations are fundamental properties of water dynamics and that they are intimately coupled to both local density and hydrogen bond strength oscillations in scales from about 60 to a few hundred femtoseconds: Local density differences are the driving force for bond bifurcations and the consequent large-angle jumps. The jumps are intimately connected to the recently predicted hydrogen bond energy asymmetry. Our analysis also appears to confirm the existence of the so-called negativity track provided by the lone pairs of electrons on the oxygen atom to enable water rotation.

  7. Spatially heterogeneous populations with mixed negative and positive local density dependence.

    PubMed

    Knipl, Diána; Röst, Gergely

    2016-06-01

    Identifying the steady states of a population is a key issue in theoretical ecology, that includes the study of spatially heterogeneous populations. There are several examples of real ecosystems in patchy environments where the habitats are heterogeneous in their local density dependence. We investigate a multi-patch model of a single species with spatial dispersal, where the growth of the local population is logistic in some localities (negative density dependence) while other patches exhibit a strong Allee effect (positive density dependence). When the local dynamics is logistic in each patch and the habitats are interconnected by dispersal then the total population has only the extinction steady state and a componentwise positive equilibrium, corresponding to persistence in each patch. We show that animal populations in patchy environments can have a large number of steady states if local density dependence varies over the locations. It is demonstrated that, depending on the network topology of migration routes between the patches, the interaction of spatial dispersal and local density dependence can create a variety of coexisting stable positive equilibria. We give a detailed description of the multiple ways dispersal can rescue local populations from extinction. PMID:26801607

  8. Guided Cell Migration on Microtextured Substrates with Variable Local Density and Anisotropy

    PubMed Central

    Kim, Deok-Ho; Seo, Chang-Ho; Han, Karam; Kwon, Keon Woo; Levchenko, Andre; Suh, Kahp-Yang

    2009-01-01

    This work reports the design of and experimentation with a topographically patterned cell culture substrate of variable local density and anisotropy as a facile and efficient platform to guide the organization and migration of cells in spatially desirable patterns. Using UV-assisted capillary force lithography, an optically transparent microstructured layer of a UV curable poly(urethane acrylate) resin is fabricated and employed as a cell-culture substrate after coating with fibronectin. With variable local pattern density and anisotropy present in a single cell-culture substrate, the differential polarization of cell morphology and movement in a single experiment is quantitatively characterized. It is found that cell shape and velocity are exquisitely sensitive to variation in the local anisotropy of the two-dimensional rectangular lattice arrays, with cell elongation and speed decreasing on symmetric lattice patterns. It is also found that cells could integrate orthogonal spatial cues when determining the direction of cell orientation and movement. Furthermore, cells preferentially migrate toward the topographically denser areas from sparser ones. Consistent with these results, it is demonstrated that systematic variation of local densities of rectangular lattice arrays enable a planar assembly of cells into a specified location. It is envisioned that lithographically defined substrates of variable local density and anisotropy not only provide a new route to tailoring the cell-material interface but could serve as a template for advanced tissue engineering. PMID:20046799

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    SciTech Connect

    Ribeiro, M.

    2015-06-21

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost.

  14. 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.

  15. 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.

  16. 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.

  17. 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…

  18. 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).

  19. Staggered Local Density of States around the Vortex in Underdoped Cuprates

    SciTech Connect

    Kishine, Jun-ichiro; Lee, Patrick A.; Wen, Xiao-Gang

    2001-06-04

    We have studied a single vortex with the staggered flux (SF) core based on the SU(2) slave-boson theory of high T{sub c} superconductors. We find that, whereas the center in the vortex core is a SF state, as one moves away from the core center a correlated staggered modulation of the hopping amplitude {chi} and pairing amplitude {Delta} becomes predominant. We predict that in this region the local density of states exhibits staggered modulation when measured on the bonds, which may be directly detected by STM experiments.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Formulation for scalable optimization of microcavities via the frequency-averaged local density of states.

    PubMed

    Liang, Xiangdong; Johnson, Steven G

    2013-12-16

    We present a technique for large-scale optimization of optical microcavities based on the frequency-averaged local density of states (LDOS), which circumvents computational difficulties posed by previous eigenproblem-based formulations and allows us to perform full topology optimization of three-dimensional (3d) leaky cavity modes. We present theoretical results for both 2d and fully 3d computations in which every pixel of the design pattern is a degree of freedom ("topology optimization"), e.g. for lithographic patterning of dielectric slabs in 3d. More importantly, we argue that such optimization techniques can be applied to design cavities for which (unlike silicon-slab single-mode cavities) hand designs are difficult or unavailable, and in particular we design minimal-volume multi-mode cavities (e.g. for nonlinear frequency-conversion applications). PMID:24514656

  5. Quantifying local density of optical states of nanorods by fluorescence lifetime imaging.

    PubMed

    Liu, Jing; Jiang, Xunpeng; Ishii, Satoshi; Shalaev, Vladimir; Irudayaraj, Joseph

    2014-06-01

    In this letter, we demonstrate a facile far-field approach to quantify the near-field local density of optical states (LDOS) of a nanorod using CdTe quantum dots (QDs) emitters tethered to the surface of nanorods as beacons for optical read-outs. Radiative decay rate was extracted to quantify the LDOS; our analysis indicates that the LDOS of the nanorod enhance both the radiative and nonradiative decay of QD, particularly radiative decay of QDs at the end of nanorod is enhanced by 1.17 times greater than that at the waist, while the nonradiative decay was uniformly enhanced over the nanorod. To the best of our knowledge, our effort constitutes the first to map the LDOS of a nanostructure via far-field method, to provide clarity on the interaction mechanism between emitters and the nanostructure, and to be potentially employed in the LDOS mapping of high-throughput nanostructures.

  6. Broadband enhancement of local density of states using silicon-compatible hyperbolic metamaterials

    SciTech Connect

    Wang, Yu; Inampudi, Sandeep; Capretti, Antonio; Sugimoto, Hiroshi; Fujii, Minoru; Dal Negro, Luca

    2015-06-15

    Light emitting silicon quantum dots by colloidal synthesis were uniformly spin-coated into a 20 nm-thick film and deposited atop a hyperbolic metamaterial of alternating TiN and SiO{sub 2} sub-wavelength layers. Using steady-state and time-resolved photoluminescence spectroscopy as a function of the emission wavelength in partnership with rigorous electromagnetic modeling of dipolar emission, we demonstrate enhanced Local Density of States and coupling to high-k modes in a broad spectral range. These findings provide an alternative approach for the engineering of novel Si-compatible broadband sources that leverage the control of radiative transitions in hyperbolic metamaterials and the flexibility of the widespread Si platform.

  7. Quantifying local density of optical states of nanorods by fluorescence lifetime imaging

    PubMed Central

    Liu, Jing; Jiang, Xunpeng; Ishii, Satoshi; Shalaev, Vladimir; Irudayaraj, Joseph

    2014-01-01

    In this letter, we demonstrate a facile far-field approach to quantify the near-field local density of optical states (LDOS) of a nanorod using CdTe quantum dots (QDs) emitters tethered to the surface of nanorods as beacons for optical read-outs. Radiative decay rate was extracted to quantify the LDOS; our analysis indicates that the LDOS of the nanorod enhance both the radiative and nonradiative decay of QD, particularly radiative decay of QDs at the end of nanorod is enhanced by 1.17 times greater than that at the waist, while the nonradiative decay was uniformly enhanced over the nanorod. To the best of our knowledge, our effort constitutes the first to map the LDOS of a nanostructure via far-field method, to provide clarity on the interaction mechanism between emitters and the nanostructure, and to be potentially employed in the LDOS mapping of high-throughput nanostructures. PMID:25408619

  8. Determination of Local Densities in Accreted Ice Samples Using X-Rays and Digital Imaging

    NASA Technical Reports Server (NTRS)

    Broughton, Howard; Sims, James; Vargas, Mario

    1996-01-01

    At the NASA Lewis Research Center's Icing Research Tunnel ice shapes, similar to those which develop in-flight icing conditions, were formed on an airfoil. Under cold room conditions these experimental samples were carefully removed from the airfoil, sliced into thin sections, and x-rayed. The resulting microradiographs were developed and the film digitized using a high resolution scanner to extract fine detail in the radiographs. A procedure was devised to calibrate the scanner and to maintain repeatability during the experiment. The techniques of image acquisition and analysis provide accurate local density measurements and reveal the internal characteristics of the accreted ice with greater detail. This paper will discuss the methodology by which these samples were prepared with emphasis on the digital imaging techniques.

  9. The Actinide Transition Revisited by Gutzwiller Approximation

    NASA Astrophysics Data System (ADS)

    Xu, Wenhu; Lanata, Nicola; Yao, Yongxin; Kotliar, Gabriel

    2015-03-01

    We revisit the problem of the actinide transition using the Gutzwiller approximation (GA) in combination with the local density approximation (LDA). In particular, we compute the equilibrium volumes of the actinide series and reproduce the abrupt change of density found experimentally near plutonium as a function of the atomic number. We discuss how this behavior relates with the electron correlations in the 5 f states, the lattice structure, and the spin-orbit interaction. Our results are in good agreement with the experiments.

  10. 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.

  11. An evolution of adiabatic matter: a case for the quasistatic regime

    NASA Astrophysics Data System (ADS)

    Barreto, W.

    2013-11-01

    We establish the connection between the standard ADM 3+1 treatment of matter with its characteristic equivalent, in the context of spherical symmetry. The flux-conservative rendition of the fluid equations are obtained. Considering adiabatic distributions of perfect fluid, we evolve the system using the so-called post-quasi-static approximation in radiation coordinates. We obtain an adiabatic matter evolution in the quasi-static regime or slow motion, which is not shear-free nor geodesic.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

    SciTech Connect

    McMahan, A K

    2005-03-30

    This paper reports calculations for compressed Ce (4f{sup 1}), Pr (4f{sup 2}), and Nd (4f{sup 3}) using a combination of the local-density approximation (LDA) and dynamical mean field theory (DMFT), or LDA+DMFT. The 4f moment, spectra, and the total energy among other properties are examined as functions of volume and atomic number for an assumed face-centered cubic (fcc) structure. These materials are seen to be strongly localized at ambient pressure and for compressions up through the experimentally observed fcc phases ({gamma} phase for Ce), in the sense of having fully formed Hund's rules moments and little 4f spectral weight at the Fermi level. Subsequent compression for all three lanthanides brings about significant deviation of the moments from their Hund's rules values, a growing Kondo resonance at the fermi level, an associated softening in the total energy, and quenching of the spin orbit since the Kondo resonance is of mixed spin-orbit character while the lower Hubbard band is predominantly j = 5/2. while the most dramatic changes for Ce occur within the two-phase region of the {gamma}-{alpha} volume collapse transition, as found in earlier work, those for Pr and Nd occur within the volume range of the experimentally observed distorted fcc (dfcc) phase, which is therefore seen here as transitional and not part of the localized trivalent lanthanide sequence. The experimentally observed collapse to the {alpha}-U structure in Pr occurs only on further compression, and no such collapse is found in Nd. These lanthanides start closer to the localized limit for increasing atomic number, and so the theoretical signatures noted above are also offset to smaller volume as well, which is possibly related to the measured systematics of the size of the volume collapse being 15%, 9%, and none for Ce, Pr, and Nd, respectively.

  18. Local density of unoccupied states in ion-beam-mixed Pd-Ag alloys

    SciTech Connect

    Chae, K.H.; Jung, S.M.; Lee, Y.S.; Whang, C.N.; Jeon, Y.; Croft, M.; Sills, D.; Ansari, P.H.; Mack, K.

    1996-04-01

    X-ray absorption spectroscopy (XAS) measurements have been used to probe the electronic structure of ion-beam-mixed (IBM) Pd-Ag thin films with bulk alloys being studied for comparison. Pd {ital L}{sub 3} and Ag {ital L}{sub 3} absorption edges for pure Pd, Ag, and Pd{sub 1{minus}{ital x}}Ag{sub {ital x}} alloys are discussed. Structural information from both x-ray diffraction and the XAS fine structure oscillations are discussed. The observed decrease of the white-line feature strength, at the Pd {ital L}{sub 3} edge, indicates that the local density of unoccupied Pd 4{ital d} states declines upon alloying with Ag in a manner similar to that observed in previous bulk studies. However, while the Pd {ital d}-hole count decreases monotonically for bulk alloys, in the IBM alloys it saturates at higher levels in the Ag-rich materials. This disparity is interpreted on the basis of a modified charge transfer due to structural differences in the IBM alloys. The Ag {ital L}{sub 3} near-edge region is largely unchanged in these alloys, indicating that the charge transferred away from the Ag site is dominantly of {ital non}-{ital d} type. Our experimental results are discussed in the context of recent electronic structure calculations and of previous work on this alloy system. {copyright} {ital 1996 The American Physical Society.}

  19. RKKY interaction and local density of states for a triangular triple quantum dot system

    NASA Astrophysics Data System (ADS)

    Xiong, Yong-Chen; Wang, Wei-Zhong; Luo, Shi-Jun; Yang, Jun-Tao; Huang, Hai-Ming

    2016-02-01

    By means of the numerical renormalization group technique, we study the local density of states (LDOS) for a triangular triple quantum dot system, with two dots connected in parallel to the conduction leads. We find the location of the Ruderman-Kittel-Kasuya-Yosida (RKKY) peak identified in the LDOS could be illustrated as JRKKY = aΓ2 / U +bt22 / U, with U being the on-site Coulomb repulsion, Γ the dot-lead coupling, and t2 the hopping between the connected dots and the side dot. When the hopping between two connected dots t1 turns on, the spectrum weight of the RKKY peaks decreases due to the competition between the direct and the RKKY interactions. As t1 increases beyond a critical point t1c, two connected dots form a spin singlet, and decouple from both the side dot and the conduction leads, thus the Kondo and RKKY peaks could not be found. For t1 1 ≥t1 c, it drops to zero.

  20. 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

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo

    SciTech Connect

    White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry

    2015-07-07

    Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In most cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.

  6. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo.

    PubMed

    White, Alexander J; Gorshkov, Vyacheslav N; Tretiak, Sergei; Mozyrsky, Dmitry

    2015-07-01

    Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In most cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems. PMID:26156473

  7. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo

    DOE PAGES

    White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry

    2015-07-07

    Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficientmore » as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.« less

  8. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo

    SciTech Connect

    White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry

    2015-07-07

    Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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…

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Point defects as a test ground for the local density approximation +U theory: Mn, Fe, and V{sub Ga} in GaN

    SciTech Connect

    Volnianska, O.; Zakrzewski, T.; Boguslawski, P.

    2014-09-21

    Electronic structure of the Mn and Fe ions and of the gallium vacancy V{sub Ga} in GaN was analysed within the GGA + U approach. First, the +U term was treated as a free parameter, and applied to p(N), d(Mn), and d(Fe). The band gap of GaN is reproduced for U(N) ≈ 4 eV. The electronic structure of defect states was found to be more sensitive to the value of U than that of the bulk states. Both the magnitude and the sign of the U-induced energy shifts of levels depend on occupancies, and thus on the defect charge state. The energy shifts also depend on the hybridization between defect and host states, and thus are different for different level symmetries. In the case of V{sub Ga}, these effects lead to stabilization of spin polarization and the “negative-U{sub eff}” behavior. The values of Us were also calculated using the linear response approach, which gives U(Fe) ≈ U(Mn) ≈ 4 eV. This reproduces well the results of previous hybrid functionals calculations. However, the best agreement with the experimental data is obtained for vanishing or even negative U(Fe) and U(Mn)

  6. Influence of longitudinal isotope substitution on the thermal conductivity of carbon nanotubes: Results of nonequilibrium molecular dynamics and local density functional calculations

    SciTech Connect

    Leroy, Frédéric Böhm, Michael C.; Schulte, Joachim; Balasubramanian, Ganesh

    2014-04-14

    We report reverse nonequilibrium molecular dynamics calculations of the thermal conductivity of isotope substituted (10,10) carbon nanotubes (CNTs) at 300 K. {sup 12}C and {sup 14}C isotopes both at 50% content were arranged either randomly, in bands running parallel to the main axis of the CNTs or in bands perpendicular to this axis. It is found that the systems with randomly distributed isotopes yield significantly reduced thermal conductivity. In contrast, the systems where the isotopes are organized in patterns parallel to the CNTs axis feature no reduction in thermal conductivity when compared with the pure {sup 14}C system. Moreover, a reduction of approximately 30% is observed in the system with the bands of isotopes running perpendicular to the CNT axis. The computation of phonon dispersion curves in the local density approximation and classical densities of vibrational states reveal that the phonon structure of carbon nanotubes is conserved in the isotope substituted systems with the ordered patterns, yielding high thermal conductivities in spite of the mass heterogeneity. In order to complement our conclusions on the {sup 12}C-{sup 14}C mixtures, we computed the thermal conductivity of systems where the {sup 14}C isotope was turned into pseudo-atoms of 20 and 40 atomic mass units.

  7. Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment.

    PubMed

    Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M

    2015-03-21

    Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near

  8. Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

    SciTech Connect

    Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M.

    2015-03-21

    Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working

  9. Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment.

    PubMed

    Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M

    2015-03-21

    Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Applying and assessing some semi-local density functionals for condensed matter physics and quantum chemistry

    NASA Astrophysics Data System (ADS)

    Hao, Pan

    Density functional theory (DFT) is a widely used quantum mechanical method for the simulation of the electronic structure of atoms, molecules, and solids. The only part that needs to be approximated is the exchange-correlation energy as a functional of the electron density. After many-year development, there is a huge variety of exchange-correlation functionals. According to the ingredients, an exchange-correlation functional can be classified as a semi-local functional or beyond. A semi-local functional can be nonempirical or empirical and only uses locality information, such as electron density, gradient of the density, Laplacian of the density, and kinetic energy density. Unlike a non-local functional that uses non-locality information, a semi-local functional is computationally efficient and can be applied to large systems. The meta-generalized gradient approximation (meta-GGA), which is the highest-level semi-local functional, has the potential to give a good description for condensed matter physics and quantum chemistry. We built the self-consistent revised Tao-Perdew-Staroverov-Scuseria (revTPSS) meta-GGA into the band-structure program BAND to test the performances of some self-consistent semi-local functionals on lattice constant with a 58-solid test set. The self-consistent effect of revTPSS was also discussed. The vibration of a crystal has a contribution to the ground state energy of a system, which is the zero-point energy at zero temperature. It has anharmonicity at the equilibrium geometry. The standard DFT doesn't consider the zero-point energy of a crystal. We used density functional perturbation theory (DFPT), which is a powerful and flexible theoretical technique within the density functional framework, to study the zero-point energy and make a correction to the lattice constant. The method was compared to a traditional zero-point anharmonic expansion method that is based on the Debye and Dugdale-MacDonald approximations. We also tested some new

  18. 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.

  19. 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.

  20. 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.

  1. Non-adiabatic imprints on the electron wave packet in strong field ionization with circular polarization

    NASA Astrophysics Data System (ADS)

    Hofmann, C.; Zimmermann, T.; Zielinski, A.; Landsman, A. S.

    2016-04-01

    The validity of the adiabatic approximation in strong field ionization under typical experimental conditions has recently become a topic of great interest. Experimental results have been inconclusive, in part, due to the uncertainty in experimental calibration of intensity. Here we turn to the time-dependent Schrödinger equation, where all the laser parameters are known exactly. We find that the centre of the electron momentum distribution (typically used for calibration of elliptically and circularly polarized light) is sensitive to non-adiabatic effects, leading to intensity shifts in experimental data that can significantly affect the interpretation of results. On the other hand, the transverse momentum spread in the plane of polarization is relatively insensitive to such effects, even in the Keldysh parameter regime approaching γ ≈ 3. This suggests the transverse momentum spread in the plane of polarization as a good alternative to the usual calibration method, particularly for experimental investigation of non-adiabatic effects using circularly polarized light.

  2. The adiabatic limit of the exact factorization of the electron-nuclear wave function.

    PubMed

    Eich, F G; Agostini, Federica

    2016-08-01

    We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic limit as the limit of infinite nuclear mass. To this end, we introduce a unit system that singles out the dependence on the electron-nuclear mass ratio of each term appearing in the equations of the exact factorization. We observe how non-adiabatic effects induced by the coupling to the nuclear motion affect electronic properties and we analyze the leading term, connecting it to the classical nuclear momentum. Its dependence on the mass ratio is tested numerically on a model of proton-coupled electron transfer in different non-adiabatic regimes. PMID:27497542

  3. The adiabatic limit of the exact factorization of the electron-nuclear wave function

    NASA Astrophysics Data System (ADS)

    Eich, F. G.; Agostini, Federica

    2016-08-01

    We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic limit as the limit of infinite nuclear mass. To this end, we introduce a unit system that singles out the dependence on the electron-nuclear mass ratio of each term appearing in the equations of the exact factorization. We observe how non-adiabatic effects induced by the coupling to the nuclear motion affect electronic properties and we analyze the leading term, connecting it to the classical nuclear momentum. Its dependence on the mass ratio is tested numerically on a model of proton-coupled electron transfer in different non-adiabatic regimes.

  4. Influence of viscosity and the adiabatic index on planetary migration

    NASA Astrophysics Data System (ADS)

    Bitsch, B.; Boley, A.; Kley, W.

    2013-02-01

    Context. The strength and direction of migration of low mass embedded planets depends on the disk's thermodynamic state. It has been shown that in active disks, where the internal dissipation is balanced by radiative transport, migration can be directed outwards, a process which extends the lifetime of growing embryos. Very important parameters determining the structure of disks, and hence the direction of migration, are the viscosity and the adiabatic index. Aims: In this paper we investigate the influence of different viscosity prescriptions (α-type and constant) and adiabatic indices on disk structures. We then determine how this affects the migration rate of planets embedded in such disks. Methods: We perform three-dimensional numerical simulations of accretion disks with embedded planets. We use the explicit/implicit hydrodynamical code NIRVANA that includes full tensor viscosity and radiation transport in the flux-limited diffusion approximation, as well as a proper equation of state for molecular hydrogen. The migration of embedded 20 MEarth planets is studied. Results: Low-viscosity disks have cooler temperatures and the migration rates of embedded planets tend toward the isothermal limit. Hence, in these disks, planets migrate inwards even in the fully radiative case. The effect of outward migration can only be sustained if the viscosity in the disk is large. Overall, the differences between the treatments for the equation of state seem to play a more important role in disks with higher viscosity. A change in the adiabatic index and in the viscosity changes the zero-torque radius that separates inward from outward migration. Conclusions: For larger viscosities, temperatures in the disk become higher and the zero-torque radius moves to larger radii, allowing outward migration of a 20-MEarth planet to persist over an extended radial range. In combination with large disk masses, this may allow for an extended period of the outward migration of growing

  5. REMOVING BARYON-ACOUSTIC-OSCILLATION PEAK SHIFTS WITH LOCAL DENSITY TRANSFORMS

    SciTech Connect

    McCullagh, Nuala; Neyrinck, Mark C.; Szalay, Alexander S.; Szapudi, Istvan

    2013-01-20

    Large-scale bulk flows in the universe distort the initial density field, broadening the baryon-acoustic-oscillation (BAO) feature that was imprinted when baryons were strongly coupled to photons. Additionally, there is a small shift inward in the peak of the conventional overdensity correlation function, a mass-weighted statistic. This shift occurs when high-density peaks move toward each other. We explore whether this shift can be removed by applying to the density field a transform (such as a logarithm) that gives fairer statistical weight to fluctuations in underdense regions. Using configuration-space perturbation theory in the Zel'dovich approximation, we find that the log-density correlation function shows a much smaller inward shift in the position of the BAO peak at low redshift than is seen in the overdensity correlation function. We also show that if the initial, Lagrangian density of matter parcels could be estimated at their Eulerian positions, giving a displaced-initial-density field, its peak shift would be even smaller. In fact, a transformed field that accentuates underdensities, such as the reciprocal of the density, pushes the peak the other way, outward. In our model, these shifts in the peak position can be attributed to shift terms, involving the derivative of the linear correlation function, that entirely vanish in this displaced-initial-density field.

  6. 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.

  7. 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.

  8. 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).

  9. 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.

  10. 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)

  11. 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.

  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. Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation

    NASA Astrophysics Data System (ADS)

    Sanyal, Tanmoy; Shell, M. Scott

    2016-07-01

    Bottom-up multiscale techniques are frequently used to develop coarse-grained (CG) models for simulations at extended length and time scales but are often limited by a compromise between computational efficiency and accuracy. The conventional approach to CG nonbonded interactions uses pair potentials which, while computationally efficient, can neglect the inherently multibody contributions of the local environment of a site to its energy, due to degrees of freedom that were coarse-grained out. This effect often causes the CG potential to depend strongly on the overall system density, composition, or other properties, which limits its transferability to states other than the one at which it was parameterized. Here, we propose to incorporate multibody effects into CG potentials through additional nonbonded terms, beyond pair interactions, that depend in a mean-field manner on local densities of different atomic species. This approach is analogous to embedded atom and bond-order models that seek to capture multibody electronic effects in metallic systems. We show that the relative entropy coarse-graining framework offers a systematic route to parameterizing such local density potentials. We then characterize this approach in the development of implicit solvation strategies for interactions between model hydrophobes in an aqueous environment.

  14. A Local-Density Band Theory for the Fermi Surface of the Heavy-Electron Compound CeRu2Si2

    NASA Astrophysics Data System (ADS)

    Yamagami, Hiroshi; Hasegawa, Akira

    1993-02-01

    On the basis of the itinerant-electron model for the 4f electrons, the energy band structure and the Fermi surface are calculated for the metamagnetic heavy-electron compound CeRu2Si2 having the low-temperature electronic specific heat coefficient γ of 350 mJ/K2 mol. by a self-consistent symmetrized relativistic APW method with the exchange and correlation potential in a local-density approximation. The main Fermi surface consists of a large closed hole sheet and a complicated electron sheet like a jungle gym. The Fermi surface topology is consistent with the experimental result for the high-field magneto-resistance. By comparison with the electronic structure of LaRu2Si2, effects of the 4f bands on the Bloch states on the Fermi surface in CeRu2Si2 are investigated in detail. Strong evidences for existence of the electron sheet are found in available experimental de Haas-van Alphen frequencies. The enhancement factor for γ is estimated as 38.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. Differential geometric treewidth estimation in adiabatic quantum computation

    NASA Astrophysics Data System (ADS)

    Wang, Chi; Jonckheere, Edmond; Brun, Todd

    2016-07-01

    The D-Wave adiabatic quantum computing platform is designed to solve a particular class of problems—the Quadratic Unconstrained Binary Optimization (QUBO) problems. Due to the particular "Chimera" physical architecture of the D-Wave chip, the logical problem graph at hand needs an extra process called minor embedding in order to be solvable on the D-Wave architecture. The latter problem is itself NP-hard. In this paper, we propose a novel polynomial-time approximation to the closely related treewidth based on the differential geometric concept of Ollivier-Ricci curvature. The latter runs in polynomial time and thus could significantly reduce the overall complexity of determining whether a QUBO problem is minor embeddable, and thus solvable on the D-Wave architecture.

  2. Differential geometric treewidth estimation in adiabatic quantum computation

    NASA Astrophysics Data System (ADS)

    Wang, Chi; Jonckheere, Edmond; Brun, Todd

    2016-10-01

    The D-Wave adiabatic quantum computing platform is designed to solve a particular class of problems—the Quadratic Unconstrained Binary Optimization (QUBO) problems. Due to the particular "Chimera" physical architecture of the D-Wave chip, the logical problem graph at hand needs an extra process called minor embedding in order to be solvable on the D-Wave architecture. The latter problem is itself NP-hard. In this paper, we propose a novel polynomial-time approximation to the closely related treewidth based on the differential geometric concept of Ollivier-Ricci curvature. The latter runs in polynomial time and thus could significantly reduce the overall complexity of determining whether a QUBO problem is minor embeddable, and thus solvable on the D-Wave architecture.

  3. 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.

  4. Semianalytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures.

    PubMed

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper; Gregersen, Niels

    2015-12-15

    We present and validate a semianalytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities, a nontrivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.

  5. Measurement of local density and magnetic field of a magnetized plasma using Raman scattering from a focused laser pulse

    NASA Astrophysics Data System (ADS)

    Song, Hyung Seon; Cho, Myung-Hoon; Kim, Young-Kuk; Kang, Teyoun; Suk, Hyyong; Hur, Min Sup

    2016-02-01

    We investigated the possibility of pin pointing the local density and magnetic field of an inhomogeneous, magnetized plasma by stimulated Raman scattering of a pump laser pulse focused on a desired position. As the Raman growth rate is proportional to the pump pulse amplitude, the spectral peak shift of the scattered signal is, though it is a spatially integrated one, expected to be determined dominantly by that from the focal position of the pump pulse. From a theoretical estimation, we found a condition of the pulse duration and plasma density for such an expectation to properly work. It was confirmed by two-dimensional particle-in-cell simulations that as long as the pulse duration is long and the length scale of the plasma inhomogeneity is large compared to the Rayleigh length, the spectral bandwidth of the spatially integrated Raman signal can be narrow enough to distinguish the peak position with good enough resolution.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. Vibrational dynamics of the bifluoride ion. II. Adiabatic separation and proton dynamics

    NASA Astrophysics Data System (ADS)

    Epa, V. C.; Thorson, W. R.

    1990-01-01

    Vibrational dynamics of the bifluoride ion FHF-, which exhibits strongly anharmonic and nonseparable vibrations, is studied using the extended ab initio model potential surface described in the first paper of this series. Adiabatic separation of the proton motion from the F-F (ν1) motion forms a zero-order basis for description, although strong coupling of adiabatic states by the ν1 motion is important in higher vibrational levels and must be considered to understand the spectrum. The adiabatic protonic eigenstates at F-F separations R from 3.75 to 6.40 a.u. have been determined using the self-consistent field approximation in prolate spheroidal coordinates to provide a basis set for configuration interaction expansion of the exact eigenstates. 78 SCF eigenstates (21 σg, 21 σu, 21 πu, and 15 πg) were computed by ``exact'' numerical solution of the SCF equations. The adiabatic CI eigenstates are shown to be converged in energy to better than 1.0 cm-1 for the ground state of each symmetry type and usually better than 10 cm-1 for the lowest three to five states, and pass critical tests of accuracy such as the Hellmann-Feynman theorem. The resulting CI potential energy curves closely resemble corresponding SCF energy curves and justify the concept of mode separation even in this very anharmonic system. The adiabatic CI potential energy curves explain most aspects of the dynamics relevant to the IR and Raman spectra of FHF- (e.g., in KHF2), and calculations of ν1 dynamics within the adiabatic approximation suffice to assign most of the observed IR spectrum of KHF2(s) (to about 6000 cm-1). States corresponding qualitatively to modal overtone and combination levels such as 3ν2 and (ν2+2ν3) however exhibit avoided crossings in the neighborhood of the equilibrium configuration and ``Fermi resonance'' involving interactions of two or more such adiabatic states via the ν1 motion must be treated by close-coupling to predict both frequencies and intensities in the

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. ``Adiabatic-hindered-rotor'' treatment of the parahydrogen-water complex

    NASA Astrophysics Data System (ADS)

    Zeng, Tao; Li, Hui; Le Roy, Robert J.; Roy, Pierre-Nicholas

    2011-09-01

    Inspired by a recent successful adiabatic-hindered-rotor treatment for parahydrogen pH2 in CO2-H2 complexes [H. Li, P.-N. Roy, and R. J. Le Roy, J. Chem. Phys. 133, 104305 (2010); H. Li, R. J. Le Roy, P.-N. Roy, and A. R. W. McKellar, Phys. Rev. Lett. 105, 133401 (2010)], we apply the same approximation to the more challenging H2O-H2 system. This approximation reduces the dimension of the H2O-H2 potential from 5D to 3D and greatly enhances the computational efficiency. The global minimum of the original 5D potential is missing from the adiabatic 3D potential for reasons based on solution of the hindered-rotor Schrödinger equation of the pH2. Energies and wave functions of the discrete rovibrational levels of H2O-pH2 complexes obtained from the adiabatic 3D potential are in good agreement with the results from calculations with the full 5D potential. This comparison validates our approximation, although it is a relatively cruder treatment for pH2-H2O than it is for pH2-CO2. This adiabatic approximation makes large-scale simulations of H2O-pH2 systems possible via a pairwise additive interaction model in which pH2 is treated as a point-like particle. The poor performance of the diabatically spherical treatment of pH2 rotation excludes the possibility of approximating pH2 as a simple sphere in its interaction with H2O.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. O(6) algebraic approach to three bound identical particles in the hyperspherical adiabatic representation

    NASA Astrophysics Data System (ADS)

    Salom, Igor; Dmitrašinović, V.

    2016-05-01

    We construct the three-body permutation symmetric O (6) hyperspherical harmonics and use them to solve the non-relativistic three-body Schrödinger equation in three spatial dimensions. We label the states with eigenvalues of the U (1) ⊗ SO(3)rot ⊂ U (3) ⊂ O (6) chain of algebras, and we present the K ≤ 4 harmonics and tables of their matrix elements. That leads to closed algebraic form of low-K energy spectra in the adiabatic approximation for factorizable potentials with square-integrable hyper-angular parts. This includes homogeneous pairwise potentials of degree α ≥ - 1. More generally, a simplification is achieved in numerical calculations of non-adiabatic approximations to non-factorizable potentials by using our harmonics.

  8. 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.

  9. Decoherence and adiabatic transport in semiconductor quantum dots

    NASA Astrophysics Data System (ADS)

    Switkes, Michael

    2000-10-01

    I present research on ballistic electron transport in lateral GaAs/AlGaAs quantum dots connected to the environment with leads supporting one or more fully transmitting quantum modes. The first part of this dissertation examines electron the phenomena which mediate the transition from quantum mechanical to classical behavior in these quantum dots. Measurements of electron phase coherence time based on the magnitude of weak localization correction are presented as a function both of temperature and of applied bias. The coherence time is found to depend on temperature approximately as a sum of two power laws, tauφ ≈ AT-1 + BT-2, in agreement with the prediction for diffusive two dimensional systems but not with predictions for closed quantum dots or ballistic 2D systems. The effects of a large applied bias can be described with an elevated effective electron temperature calculated from the balance of Joule heating and cooling by Wiedemann-Franz out diffusion of hot electrons. The limits this imposes for quantum dot based technologies are examined through the detailed analysis of a quantum dot magnetometer. The second part of the work presented here focuses on a novel form of electron transport, adiabatic quantum electron pumping, in which a current is driven by cyclic changes in the wave function of a mesoscopic system rather than by an externally imposed bias. After a brief review of other mechanisms which produce a dc current from an ac excitation, measurements of adiabatic pumping are presented. The pumped current (or voltage) is sinusoidal in the phase difference between the two ac voltages deforming the dot potential and fluctuates in both magnitude and direction with small changes in external parameters such as magnetic field. Dependencies of pumping on the strength of the deformations, temperature, and breaking of time-reversal symmetry are also investigated.

  10. Local density of states and its mesoscopic fluctuations near the transition to a superconducting state in disordered systems

    NASA Astrophysics Data System (ADS)

    Burmistrov, I. S.; Gornyi, I. V.; Mirlin, A. D.

    2016-05-01

    We develop a theory of the local density of states (LDOS) of disordered superconductors, employing the nonlinear sigma-model formalism and the renormalization-group framework. The theory takes into account the interplay of disorder and interaction couplings in all channels, treating the systems with short-range and Coulomb interactions on equal footing. We explore two-dimensional systems that would be Anderson insulators in the absence of interaction and two- or three-dimensional systems that undergo an Anderson transition in the absence of interaction. We evaluate both the average tunneling density of states and its mesoscopic fluctuations which are related to the LDOS multifractality in normal disordered systems. The obtained average LDOS shows a pronounced depletion around the Fermi energy, both in the metallic phase (i.e., above the superconducting critical temperature Tc) and in the insulating phase near the superconductor-insulator transition (SIT). The fluctuations of the LDOS are found to be particularly strong for the case of short-range interactions, especially, in the regime when Tc is enhanced by Anderson localization. On the other hand, the long-range Coulomb repulsion reduces the mesoscopic LDOS fluctuations. However, also in a model with Coulomb interaction, the fluctuations become strong when the systems approach the SIT.

  11. Scanning tunneling microscopy and spectroscopy of the electronic local density of states of graphite surfaces near monoatomic step edges

    NASA Astrophysics Data System (ADS)

    Niimi, Y.; Matsui, T.; Kambara, H.; Tagami, K.; Tsukada, M.; Fukuyama, Hiroshi

    2006-02-01

    We measured the electronic local density of states (LDOS) of graphite surfaces near monoatomic step edges, which consist of either the zigzag or armchair edge, with the scanning tunneling microscopy (STM) and spectroscopy (STS) techniques. The STM data reveal that the (3×3)R30° and honeycomb superstructures coexist over a length scale of 3-4nm from both the edges. By comparing with density-functional derived nonorthogonal tight-binding calculations, we show that the coexistence is due to a slight admixing of the two types of edges at the graphite surfaces. In the STS measurements, a clear peak in the LDOS at negative bias voltages from -100 to -20mV was observed near the zigzag edges, while such a peak was not observed near the armchair edges. We concluded that this peak corresponds to the graphite “edge state” theoretically predicted by Fujita [J. Phys. Soc. Jpn. 65, 1920 (1996)] with a tight-binding model for graphene ribbons. The existence of the edge state only at the zigzag type edge was also confirmed by our first-principles calculations with different edge terminations.

  12. Modeling high-pressure adsorption of gas mixtures on activated carbon and coal using a simplified local-density model.

    PubMed

    Fitzgerald, James E; Robinson, Robert L; Gasem, Khaled A M

    2006-11-01

    The simplified local-density (SLD) theory was investigated regarding its ability to provide accurate representations and predictions of high-pressure supercritical adsorption isotherms encountered in coalbed methane (CBM) recovery and CO2 sequestration. Attention was focused on the ability of the SLD theory to predict mixed-gas adsorption solely on the basis of information from pure gas isotherms using a modified Peng-Robinson (PR) equation of state (EOS). An extensive set of high-pressure adsorption measurements was used in this evaluation. These measurements included pure and binary mixture adsorption measurements for several gas compositions up to 14 MPa for Calgon F-400 activated carbon and three water-moistened coals. Also included were ternary measurements for the activated carbon and one coal. For the adsorption of methane, nitrogen, and CO2 on dry activated carbon, the SLD-PR can predict the component mixture adsorption within about 2.2 times the experimental uncertainty on average solely on the basis of pure-component adsorption isotherms. For the adsorption of methane, nitrogen, and CO2 on two of the three wet coals, the SLD-PR model can predict the component adsorption within the experimental uncertainties on average for all feed fractions (nominally molar compositions of 20/80, 40/60, 60/40, and 80/20) of the three binary gas mixture combinations, although predictions for some specific feed fractions are outside of their experimental uncertainties. PMID:17073487

  13. Edge states, spin transport, and impurity-induced local density of states in spin-orbit coupled graphene

    NASA Astrophysics Data System (ADS)

    Seshadri, Ranjani; Sengupta, K.; Sen, Diptiman

    2016-01-01

    We study graphene, which has both spin-orbit coupling (SOC), taken to be of the Kane-Mele form, and a Zeeman field induced due to proximity to a ferromagnetic material. We show that a zigzag interface of graphene having SOC with its pristine counterpart hosts robust chiral edge modes in spite of the gapless nature of the pristine graphene; such modes do not occur for armchair interfaces. Next we study the change in the local density of states (LDOS) due to the presence of an impurity in graphene with SOC and Zeeman field, and demonstrate that the Fourier transform of the LDOS close to the Dirac points can act as a measure of the strength of the spin-orbit coupling; in addition, for a specific distribution of impurity atoms, the LDOS is controlled by a destructive interference effect of graphene electrons which is a direct consequence of their Dirac nature. Finally, we study transport across junctions, which separates spin-orbit coupled graphene with Kane-Mele and Rashba terms from pristine graphene both in the presence and absence of a Zeeman field. We demonstrate that such junctions are generally spin active, namely, they can rotate the spin so that an incident electron that is spin polarized along some direction has a finite probability of being transmitted with the opposite spin. This leads to a finite, electrically controllable, spin current in such graphene junctions. We discuss possible experiments that can probe our theoretical predictions.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Adiabatic calorimetry (RSST and VSP) tests with sodium acetate

    SciTech Connect

    Kirch, N.W.

    1993-09-01

    As requested in the subject reference, adiabatic calorimetry (RSST and VSP) tests have been performed with sodium acetate covering TOC concentrations from 3 to 7% with the following results: Exothermic activity noted around 200{degrees}C. Propagating reaction initiated at about 300{degrees}C. Required TOC concentration for propagation estimated at about 6 w% (dry mixture) or about 20 w% sodium acetate. Heat of reaction estimated to be 3.7 MJ per kg of sodium acetate (based on VSP test with 3 w% TOC and using a dry mixture specific heat of 1000 J kg{sup {minus}1} K{sup {minus}1}). Based upon the above results we estimate that a moisture content in excess of 14 w% would prevent a propagating reaction of a stoichiometric mixture of fuel and oxidizer ({approximately} 38 w% sodium acetate and {approximately}62 w% sodium nitrate). Assuming that the fuel can be treated as sodium acetate equivalent, and considering that the moisture content in the organic containing waste generally is believed to be in excess of 14 w%, it follows that the possibility of propagating reactions in the Hanford waste tanks can be ruled out.

  20. 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.

  1. 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.

  2. 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

  3. Shear viscosity in the postquasistatic approximation

    SciTech Connect

    Peralta, C.; Rosales, L.; Rodriguez-Mueller, B.; Barreto, W.

    2010-05-15

    We apply the postquasistatic approximation, an iterative method for the evolution of self-gravitating spheres of matter, to study the evolution of anisotropic nonadiabatic radiating and dissipative distributions in general relativity. Dissipation is described by viscosity and free-streaming radiation, assuming an equation of state to model anisotropy induced by the shear viscosity. We match the interior solution, in noncomoving coordinates, with the Vaidya exterior solution. Two simple models are presented, based on the Schwarzschild and Tolman VI solutions, in the nonadiabatic and adiabatic limit. In both cases, the eventual collapse or expansion of the distribution is mainly controlled by the anisotropy induced by the viscosity.

  4. Electric and magnetic drift of non-adiabatic ions in the earth's geomagnetic tail current sheet

    NASA Technical Reports Server (NTRS)

    Beard, D. B.; Cowley, S. W. H.

    1985-01-01

    It has been shown recently that nonadiabatic particles in the earth's magnetotail drift across the tail roughly as predicted for adiabatic particles with 90 deg pitch angles. In this paper it is shown that this result implies the existence of an approximate invariant of the motion. Adding the effect of convection associated electric fields, the approximate bounce averaged motion of nonadiabatic particles in the magnetotail can be obtained. Thus the particle motion and energization due to combined magnetic and electric drifts in the magnetotail are easily predicted.

  5. Extra-pair paternity in the socially monogamous white stork (Ciconia ciconia) is fairly common and independent of local density

    PubMed Central

    Turjeman, Sondra Feldman; Centeno-Cuadros, Alejandro; Eggers, Ute; Rotics, Shay; Blas, Julio; Fiedler, Wolfgang; Kaatz, Michael; Jeltsch, Florian; Wikelski, Martin; Nathan, Ran

    2016-01-01

    Although many birds are socially monogamous, most (>75%) studied species are not strictly genetically monogamous, especially under high breeding density. We used molecular tools to reevaluate the reproductive strategy of the socially monogamous white stork (Ciconia ciconia) and examined local density effects. DNA samples of nestlings (Germany, Spain) were genotyped and assigned relationships using a two-program maximum likelihood classification. Relationships were successfully classified in 79.2% of German (n = 120) and 84.8% of Spanish (n = 59) nests. For each population respectively, 76.8% (n = 73) and 66.0% (n = 33) of nests contained only full-siblings, 10.5% (n = 10) and 18.0% (n = 9) had half-siblings (at least one nestling with a different parent), 3.2% (n = 3) and 10.0% (n = 5) had unrelated nestlings (at least two nestlings, each with different parents), and 9.5% (n = 9) and 6.0% (n = 3) had “not full-siblings” (could not differentiate between latter two cases). These deviations from strict monogamy place the white stork in the 59th percentile for extra-pair paternity among studied bird species. Although high breeding density generally increases extra-pair paternity, we found no significant association with this species’ mating strategies. Thus although genetic monogamy is indeed prominent in the white stork, extra-pair paternity is fairly common compared to other bird species and cannot be explained by breeding density. PMID:27328982

  6. Extra-pair paternity in the socially monogamous white stork (Ciconia ciconia) is fairly common and independent of local density.

    PubMed

    Turjeman, Sondra Feldman; Centeno-Cuadros, Alejandro; Eggers, Ute; Rotics, Shay; Blas, Julio; Fiedler, Wolfgang; Kaatz, Michael; Jeltsch, Florian; Wikelski, Martin; Nathan, Ran

    2016-01-01

    Although many birds are socially monogamous, most (>75%) studied species are not strictly genetically monogamous, especially under high breeding density. We used molecular tools to reevaluate the reproductive strategy of the socially monogamous white stork (Ciconia ciconia) and examined local density effects. DNA samples of nestlings (Germany, Spain) were genotyped and assigned relationships using a two-program maximum likelihood classification. Relationships were successfully classified in 79.2% of German (n = 120) and 84.8% of Spanish (n = 59) nests. For each population respectively, 76.8% (n = 73) and 66.0% (n = 33) of nests contained only full-siblings, 10.5% (n = 10) and 18.0% (n = 9) had half-siblings (at least one nestling with a different parent), 3.2% (n = 3) and 10.0% (n = 5) had unrelated nestlings (at least two nestlings, each with different parents), and 9.5% (n = 9) and 6.0% (n = 3) had "not full-siblings" (could not differentiate between latter two cases). These deviations from strict monogamy place the white stork in the 59(th) percentile for extra-pair paternity among studied bird species. Although high breeding density generally increases extra-pair paternity, we found no significant association with this species' mating strategies. Thus although genetic monogamy is indeed prominent in the white stork, extra-pair paternity is fairly common compared to other bird species and cannot be explained by breeding density. PMID:27328982

  7. 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.

  8. Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction

    NASA Astrophysics Data System (ADS)

    Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.

    2015-01-01

    Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review in this journal of the thermal and vibrationally state-selected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review, and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born-Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates, and why vibrationally non-adiabatic transitions cannot be understood by considering tunnelling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.

  9. Estimating retinal vascular permeability using the adiabatic approximation to the tissue homogeneity model with fluorescein videoangiography

    NASA Astrophysics Data System (ADS)

    Tichauer, Kenneth M.; Osswald, Christian R.; Dosmar, Emily; Guthrie, Micah J.; Hones, Logan; Sinha, Lagnojita; Xu, Xiaochun; Mieler, William F.; St. Lawrence, Keith; Kang-Mieler, Jennifer J.

    2015-06-01

    Clinical symptoms of diabetic retinopathy are not detectable until damage to the retina reaches an irreversible stage, at least by today's treatment standards. As a result, there is a push to develop new, "sub-clinical" methods of predicting the onset of diabetic retinopathy before the onset of irreversible damage. With diabetic retinopathy being associated with the accumulation of long-term mild damage to the retinal vasculature, retinal blood vessel permeability has been proposed as a key parameter for detecting preclinical stages of retinopathy. In this study, a kinetic modeling approach used to quantify vascular permeability in dynamic contrast-enhanced medical imaging was evaluated in noise simulations and then applied to retinal videoangiography data in a diabetic rat for the first time to determine the potential for this approach to be employed clinically as an early indicator of diabetic retinopathy. Experimental levels of noise were found to introduce errors of less than 15% in estimates of blood flow and extraction fraction (a marker of vascular permeability), and fitting of rat retinal fluorescein angiography data provided stable maps of both parameters.

  10. Collective motion of two-electron atom in hyperspherical adiabatic approximation

    SciTech Connect

    Mohamed, A. S.; Nikitin, S. I.

    2015-03-30

    This work is devoted to calculate bound states in the two-electron atoms. The separation of variables has carried out in hyper spherical coordinate system (R, θ, α). Assuming collective motion of the electrons, where the hper angle (α∼π/4) and (θ∼π). The separation of the rotational variables leads to system of differential equations with more simple form as compared with non restricted motion. Energy of doubly excited P{sup e} and D{sup 0} states are calculated semi classically by using quantization condition of Bohr -Somerfield. The results compared with previously published data.

  11. Rotational excitation of H2O by para-H2 from an adiabatically reduced dimensional potential

    NASA Astrophysics Data System (ADS)

    Scribano, Yohann; Faure, Alexandre; Lauvergnat, David

    2012-03-01

    Cross sections and rate coefficients for low lying rotational transitions in H2O colliding with para-hydrogen pH2 are computed using an adiabatic approximation which reduces the dimensional dynamics from a 5D to a 3D problem. Calculations have been performed at the close-coupling level using the recent potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008), 10.1063/1.2988314]. A good agreement is found between the reduced adiabatic calculations and the 5D exact calculations, with an impressive time saving and memory gain. This adiabatic reduction of dimensionality seems very promising for scattering studies involving the excitation of a heavy target molecule by a light molecular projectile.

  12. Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules

    PubMed Central

    Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry

    2013-01-01

    Modelling of non-adiabatic dynamics in extended molecular systems and solids is a next frontier of atomistic electronic structure theory. The underlying numerical algorithms should operate only with a few quantities (that can be efficiently obtained from quantum chemistry), provide a controlled approximation (which can be systematically improved) and capture important phenomena such as branching (multiple products), detailed balance and evolution of electronic coherences. Here we propose a new algorithm based on Monte-Carlo sampling of classical trajectories, which satisfies the above requirements and provides a general framework for existing surface hopping methods for non-adiabatic dynamics simulations. In particular, our algorithm can be viewed as a post-processing technique for analysing numerical results obtained from the conventional surface hopping approaches. Presented numerical tests for several model problems demonstrate efficiency and accuracy of the new method. PMID:23864100

  13. Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules.

    PubMed

    Gorshkov, Vyacheslav N; Tretiak, Sergei; Mozyrsky, Dmitry

    2013-01-01

    Modelling of non-adiabatic dynamics in extended molecular systems and solids is a next frontier of atomistic electronic structure theory. The underlying numerical algorithms should operate only with a few quantities (that can be efficiently obtained from quantum chemistry), provide a controlled approximation (which can be systematically improved) and capture important phenomena such as branching (multiple products), detailed balance and evolution of electronic coherences. Here we propose a new algorithm based on Monte-Carlo sampling of classical trajectories, which satisfies the above requirements and provides a general framework for existing surface hopping methods for non-adiabatic dynamics simulations. In particular, our algorithm can be viewed as a post-processing technique for analysing numerical results obtained from the conventional surface hopping approaches. Presented numerical tests for several model problems demonstrate efficiency and accuracy of the new method. PMID:23864100

  14. Adiabatic particle motion in a nearly drift-free magnetic field - Application to the geomagnetic tail

    NASA Technical Reports Server (NTRS)

    Stern, D. P.

    1978-01-01

    An investigation is made of the adiabatic particle motion occurring in an almost drift-free magnetic field. The dependence of the mean drift velocity on the equatorial pitch angle and the variation of the local drift velocity along the trajectories is studied. The fields considered are two-dimensional and resemble the geomagnetic tail. Derivations are presented for instantaneous and average drift velocities, bounce times, longitudinal invariants, and approximations to the adiabatic Hamiltonian. As expected, the mean drift velocity is significantly smaller than the instantaneous drift velocities found at typical points on the trajectory. The slow drift indicates that particles advance in the dawn-dusk direction rather slowly in the plasma sheet of the magnetospheric tail.

  15. Method of adiabatic modes in studying problems of smoothly irregular open waveguide structures

    SciTech Connect

    Sevastianov, L. A.; Egorov, A. A.; Sevastyanov, A. L.

    2013-02-15

    Basic steps in developing an original method of adiabatic modes that makes it possible to solve the direct and inverse problems of simulating and designing three-dimensional multilayered smoothly irregular open waveguide structures are described. A new element in the method is that an approximate solution of Maxwell's equations is made to obey 'inclined' boundary conditions at the interfaces between themedia being considered. These boundary conditions take into account the obliqueness of planes tangent to nonplanar boundaries between the media and lead to new equations for coupled vector quasiwaveguide hybrid adiabatic modes. Solutions of these equations describe the phenomenon of 'entanglement' of two linear polarizations of an irregular multilayered waveguide, the appearance of a new mode in an entangled state, and the effect of rotation of the polarization plane of quasiwaveguide modes. The efficiency of the method is demonstrated by considering the example of numerically simulating a thin-film generalized waveguide Lueneburg lens.

  16. Adiabatic isometric mapping algorithm for embedding 2-surfaces in Euclidean 3-space

    NASA Astrophysics Data System (ADS)

    Ray, Shannon; Miller, Warner A.; Alsing, Paul M.; Yau, Shing-Tung

    2015-12-01

    Alexandrov proved that any simplicial complex homeomorphic to a sphere with strictly non-negative Gaussian curvature at each vertex can be isometrically embedded uniquely in {{{R}}}3 as a convex polyhedron. Due to the nonconstructive nature of his proof, there have yet to be any algorithms, that we know of, that realizes the Alexandrov embedding in polynomial time. Following his proof, we developed the adiabatic isometric mapping (AIM) algorithm. AIM uses a guided adiabatic pull-back procedure on a given polyhedral metric to produce an embedding that approximates the unique Alexandrov polyhedron. Tests of AIM applied to two different polyhedral metrics suggests that its run time is sub cubic with respect to the number of vertices. Although Alexandrov’s theorem specifically addresses the embedding of convex polyhedral metrics, we tested AIM on a broader class of polyhedral metrics that included regions of negative Gaussian curvature. One test was on a surface just outside the ergosphere of a Kerr black hole.

  17. 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.

  18. Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics

    NASA Astrophysics Data System (ADS)

    Lu, Jianfeng; Zhou, Zhennan

    2016-09-01

    In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved sampling scheme is developed in this work for FGA-SH based on birth and death branching processes. The algorithm is validated for the standard test examples of non-adiabatic dynamics.

  19. 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…

  20. 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.

  1. 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)

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Test particle propagation in magnetostatic turbulence. 1. Failure of the diffusion approximation

    NASA Technical Reports Server (NTRS)

    Klimas, A. J.; Sandri, G.; Scudder, J. D.; Howell, D. R.

    1976-01-01

    The equation which governs the quasi-linear approximation to the ensemble and gyro-phase averaged one-body probability distribution function is constructed from first principles. This derived equation is subjected to a thorough investigation in order to calculate the possible limitations of the quasi-linear approximation. It is shown that the reduction of this equation to a standard diffusion equation in the Markovian limit can be accomplished through the application of the adiabatic approximation. A numerical solution of the standard diffusion equation in the Markovian limit is obtained for the narrow parallel beam injection. Comparison of the diabatic and adiabatic results explicitly demonstrates the failure of the Markovian description of the probability distribution function. Through the use of a linear time-scale extension the failure of the adiabatic approximation, which leads to the Markovian limit, is shown to be due to mixing of the relaxation and interaction time scales in the presence of the strong mean field.

  20. Adiabatic Heat of Hydration Calorimetric Measurements for Reference Saltstone Waste

    SciTech Connect

    Bollinger, James

    2006-01-12

    The production of nuclear materials for weapons, medical, and space applications from the mid-1950's through the late-1980's at the Savannah River Site (SRS) generated approximately 35 million gallons of liquid high-level radioactive waste, which is currently being processed into vitrified glass for long-term storage. Upstream of the vitrification process, the waste is separated into three components: high activity insoluble sludge, high activity insoluble salt, and very low activity soluble salts. The soluble salt represents 90% of the 35 million gallons of overall waste and is processed at the SRS Saltstone Facility, where it mixed with cement, blast furnace slag, and flyash, creating a grout-like mixture. The resulting grout is pumped into aboveground storage vaults, where it hydrates into concrete monoliths, called saltstone, thus immobilizing the low-level radioactive salt waste. As the saltstone hydrates, it generates heat that slowly diffuses out of the poured material. To ensure acceptable grout properties for disposal and immobilization of the salt waste, the grout temperature must not exceed 95 C during hydration. Adiabatic calorimetric measurements of the heat generated for a representative sample of saltstone were made to determine the time-dependent heat source term. These measurements subsequently were utilized as input to a numerical conjugate heat transfer model to determine the expected peak temperatures for the saltstone vaults.

  1. Properties of an adiabatic shear-band process zone

    NASA Astrophysics Data System (ADS)

    Grady, D. E.

    1992-08-01

    THE FORMATION of adiabatie shear bands is examined with an approximate analytic model. The shear band is viewed as a propagating feature with a well-defined front. The shear band is further partitioned into a shear-band process zone within which most of the adiabatic heating and shear stress relaxation occurs, followed by a quasi-steady zone within which little dissipation occurs. Although a one-dimensional analysis of the shear-band dynamics is initially pursued, the analysis is then used to calculate properties of the inherently two-dimensional shear-band process zone. The length and width of the process zone are calculated along with the shear displacement. The model is further used to calculate the energy dissipation within the shear-band process zone and the concept of a shear-band toughness is introduced. The flow field within the vicinity of the process zone is also examined. Calculated properties of the shear-band process zone compared well with available experimental data.

  2. 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}.

  3. 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.

  4. Calibration of STUD+ parameters to achieve optimally efficient broadband adiabatic decoupling in a single transient

    PubMed

    Bendall; Skinner

    1998-10-01

    To provide the most efficient conditions for spin decoupling with least RF power, master calibration curves are provided for the maximum centerband amplitude, and the minimum amplitude for the largest cycling sideband, resulting from STUD+ adiabatic decoupling applied during a single free induction decay. The principal curve is defined as a function of the four most critical experimental input parameters: the maximum amplitude of the RF field, RFmax, the length of the sech/tanh pulse, Tp, the extent of the frequency sweep, bwdth, and the coupling constant, Jo. Less critical parameters, the effective (or actual) decoupled bandwidth, bweff, and the sech/tanh truncation factor, beta, which become more important as bwdth is decreased, are calibrated in separate curves. The relative importance of nine additional factors in determining optimal decoupling performance in a single transient are considered. Specific parameters for efficient adiabatic decoupling can be determined via a set of four equations which will be most useful for 13C decoupling, covering the range of one-bond 13C1H coupling constants from 125 to 225 Hz, and decoupled bandwidths of 7 to 100 kHz, with a bandwidth of 100 kHz being the requirement for a 2 GHz spectrometer. The four equations are derived from a recent vector model of adiabatic decoupling, and experiment, supported by computer simulations. The vector model predicts an inverse linear relation between the centerband and maximum sideband amplitudes, and it predicts a simple parabolic relationship between maximum sideband amplitude and the product JoTp. The ratio bwdth/(RFmax)2 can be viewed as a characteristic time scale, tauc, affecting sideband levels, with tauc approximately Tp giving the most efficient STUD+ decoupling, as suggested by the adiabatic condition. Functional relationships between bwdth and less critical parameters, bweff and beta, for efficient decoupling can be derived from Bloch-equation calculations of the inversion profile

  5. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics.

    PubMed

    White, Alexander J; Gorshkov, Vyacheslav N; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry

    2014-11-14

    Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantum mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.

  6. Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

    SciTech Connect

    White, Alexander J.; Gorshkov, Vyacheslav N.; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry

    2014-11-14

    Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantum mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.

  7. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics.

    PubMed

    White, Alexander J; Gorshkov, Vyacheslav N; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry

    2014-11-14

    Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantum mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement. PMID:25399126

  8. Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

    NASA Astrophysics Data System (ADS)

    White, Alexander J.; Gorshkov, Vyacheslav N.; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry

    2014-11-01

    Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantum mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.

  9. 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.

  10. Quadrupole Collective Inertia in Nuclear Fission: Cranking Approximation

    SciTech Connect

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

    2011-01-01

    Collective mass tensor derived from the cranking approximation to the adiabatic time-dependent Hartree-Fock-Bogoliubov (ATDHFB) approach is compared with that obtained in the Gaussian Overlap Approximation (GOA) to the generator coordinate method. Illustrative calculations are carried out for one-dimensional quadrupole fission pathways in ^{256}Fm. It is shown that the collective mass exhibits strong variations with the quadrupole collective coordinate. These variations are related to the changes in the intrinsic shell structure. The differences between collective inertia obtained in cranking and perturbative cranking approximations to ATDHFB, and within GOA, are discussed.

  11. 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).

  12. 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.

  13. 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

  14. 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.

  15. A Bayesian analysis of the temporal change of local density of proboscis monkeys: implications for environmental effects on a multilevel society.

    PubMed

    Matsuda, Ikki; Kubo, Takuya; Tuuga, Augustine; Higashi, Seigo

    2010-06-01

    To understand the effects of environmental factors on a social system with multilevel society in proboscis monkey units, the temporal change of the local density of sleeping sites of monkeys was investigated along the Menanggul river from May 2005 to 2006 in Malaysia. Proboscis monkeys typically return to riverside trees for night sleeping. The sleeping site locations of a one-male unit (BE-unit) were recorded and the locations of other one-male and all-male units within 500 m of the BE-unit were verified. In addition, environmental factors (food availability, the water level of the river, and the river width) and copulation frequency of BE-unit were recorded. From the analyses of the distance from the BE-unit to the nearest neighbor unit, no spatial clumping of the sleeping sites of monkey units on a smaller scale was detected. The results of a Bayesian analysis suggest that the conditional local density around the BE-unit can be predicted by the spatial heterogeneity along the river and by the temporal change of food availability, that is, the local density of monkey units might increase due to better sleeping sites with regard to predator attacks and clumped food sources; proboscis monkeys might not exhibit high-level social organization previously reported. In addition, this study shows the importance of data analysis that considers the effects of temporal autocorrelation, because the daily measurements of longitudinal data on monkeys are not independent of each other. PMID:20091847

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Electron Scattering on a Magnetic Skyrmion in the Nonadiabatic Approximation.

    PubMed

    Denisov, K S; Rozhansky, I V; Averkiev, N S; Lähderanta, E

    2016-07-01

    We present a theory of electron scattering on a magnetic Skyrmion for the case when the exchange interaction is moderate so that the adiabatic approximation and the Berry phase approach are not applicable. The theory explains the appearance of a topological Hall current in the systems with magnetic Skyrmions, the special importance of which is its applicability to dilute magnetic semiconductors with a weak exchange interaction. PMID:27447521

  2. The adiabatic phase mixing and heating of electrons in Buneman turbulence

    SciTech Connect

    Che, H.; Goldstein, M. L.; Drake, J. F.; Swisdak, M.

    2013-06-15

    The nonlinear development of the strong Buneman instability and the associated fast electron heating in thin current layers with Ω{sub e}/ω{sub pe}<1 is explored. Phase mixing of the electrons in wave potential troughs and a rapid increase in temperature are observed during the saturation of the instability. We show that the motion of trapped electrons can be described using a Hamiltonian formalism in the adiabatic approximation. The process of separatrix crossing as electrons are trapped and de-trapped is irreversible and guarantees that the resulting electron energy gain is a true heating process.

  3. 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.

  4. 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.

  5. Approximate flavor symmetries

    SciTech Connect

    Rasin, A.

    1994-04-01

    We discuss the idea of approximate flavor symmetries. Relations between approximate flavor symmetries and natural flavor conservation and democracy models is explored. Implications for neutrino physics are also discussed.

  6. Approximation of Laws

    NASA Astrophysics Data System (ADS)

    Niiniluoto, Ilkka

    2014-03-01

    Approximation of laws is an important theme in the philosophy of science. If we can make sense of the idea that two scientific laws are "close" to each other, then we can also analyze such methodological notions as approximate explanation of laws, approximate reduction of theories, approximate empirical success of theories, and approximate truth of laws. Proposals for measuring the distance between quantitative scientific laws were given in Niiniluoto (1982, 1987). In this paper, these definitions are reconsidered as a response to the interesting critical remarks by Liu (1999).

  7. Transition from adiabatic inspiral to plunge into a spinning black hole

    SciTech Connect

    Kesden, Michael

    2011-05-15

    A test particle of mass {mu} on a bound geodesic of a Kerr black hole of mass M>>{mu} will slowly inspiral as gravitational radiation extracts energy and angular momentum from its orbit. This inspiral can be considered adiabatic when the orbital period is much shorter than the time scale on which energy is radiated, and quasicircular when the radial velocity is much less than the azimuthal velocity. Although the inspiral always remains adiabatic provided {mu}<approximation breaks down as the particle approaches the innermost stable circular orbit (ISCO). In this paper, we relax the quasicircular approximation and solve the radial equation of motion explicitly near the ISCO. We use the requirement that the test particle's 4-velocity remains properly normalized to calculate a new contribution to the difference between its energy and angular momentum. This difference determines how a black hole's spin changes following a test-particle merger, and can be extrapolated to help predict the mass and spin of the final black hole produced in finite-mass-ratio black-hole mergers. Our new contribution is particularly important for nearly maximally spinning black holes, as it can affect whether a merger produces a naked singularity.

  8. The quantum-classical crossover in the adiabatic response of chaotic systems

    NASA Astrophysics Data System (ADS)

    Auslaender, Ophir M.; Fishman, Shmuel

    2000-03-01

    The autocorrelation function of the force acting on a slow classical system, resulting from interaction with a fast quantum system is calculated following Berry-Robbins, Wilkinson and Jarzynski within the leading order correction to the adiabatic approximation. The time integral of the autocorrelation function is often proportional to the rate of energy transfer between the systems. The fast quantum system is assumed to be chaotic in the classical limit for each configuration of the slow system. An analytic formula is obtained for the finite-time integral of the correlation function, in the framework of random matrix theory (RMT), for a specific dependence on the adiabatically varying parameter. Extension to a wider class of RMT models is discussed. For the Gaussian unitary and symplectic ensembles for long times the time integral of the correlation function vanishes or falls off as a Gaussian with a characteristic time that is proportional to the Heisenberg time, depending on the details of the model. The fall-off is inversely proportional to time for the Gaussian orthogonal ensemble. The correlation function is found to be dominated by the nearest-neighbour level spacings. It was calculated for a variety of nearest-neighbour level spacing distributions, including ones that do not originate from RMT ensembles. The various approximate formulae obtained are tested numerically in RMT. The results shed light on the quantum to classical crossover for chaotic systems. The implications on the possibility to experimentally observe deterministic friction are discussed.

  9. Zero-point energy, tunneling, and vibrational adiabaticity in the Mu + H2 reaction

    SciTech Connect

    Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.

    2015-01-09

    Abstract: Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review [Aldegunde et al., Mol. Phys. 111, 3169 (2013)] of the thermal and vibrationally-stateselected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born–Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally-state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates and why vibrationally nonadiabatic transitions cannot be understood by considering tunneling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.

  10. 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.

  11. 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.

  12. 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.

  13. Sparse pseudospectral approximation method

    NASA Astrophysics Data System (ADS)

    Constantine, Paul G.; Eldred, Michael S.; Phipps, Eric T.

    2012-07-01

    Multivariate global polynomial approximations - such as polynomial chaos or stochastic collocation methods - are now in widespread use for sensitivity analysis and uncertainty quantification. The pseudospectral variety of these methods uses a numerical integration rule to approximate the Fourier-type coefficients of a truncated expansion in orthogonal polynomials. For problems in more than two or three dimensions, a sparse grid numerical integration rule offers accuracy with a smaller node set compared to tensor product approximation. However, when using a sparse rule to approximately integrate these coefficients, one often finds unacceptable errors in the coefficients associated with higher degree polynomials. By reexamining Smolyak's algorithm and exploiting the connections between interpolation and projection in tensor product spaces, we construct a sparse pseudospectral approximation method that accurately reproduces the coefficients of basis functions that naturally correspond to the sparse grid integration rule. The compelling numerical results show that this is the proper way to use sparse grid integration rules for pseudospectral approximation.

  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. 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

  16. 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.

  17. 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.

  18. 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)

  19. 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.

  20. 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.

  1. Approximations for photoelectron scattering

    NASA Astrophysics Data System (ADS)

    Fritzsche, V.

    1989-04-01

    The errors of several approximations in the theoretical approach of photoelectron scattering are systematically studied, in tungsten, for electron energies ranging from 10 to 1000 eV. The large inaccuracies of the plane-wave approximation (PWA) are substantially reduced by means of effective scattering amplitudes in the modified small-scattering-centre approximation (MSSCA). The reduced angular momentum expansion (RAME) is so accurate that it allows reliable calculations of multiple-scattering contributions for all the energies considered.

  2. 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.

  3. EFFECTS OF NON-ISOTROPIC SCATTERING, MAGNETIC HELICITY, AND ADIABATIC FOCUSING ON DIFFUSIVE TRANSPORT OF SOLAR ENERGETIC PARTICLES

    SciTech Connect

    Litvinenko, Yuri E.

    2012-06-10

    Transport of solar energetic particles in interplanetary space is analyzed. A new systematic derivation of the diffusion approximation is given, which incorporates the effects of non-isotropic scattering, magnetic helicity, and adiabatic focusing in a non-uniform large-scale magnetic field. The derivation is based on a system of stochastic differential equations, equivalent to the Fokker-Planck equation, and the new method is a generalization of the Smoluchowski approximation in the theory of the Brownian motion. Simple, physically transparent expressions for the transport coefficients are derived. Different results of earlier treatments of the problem are related to the assumptions regarding the evolving particle distribution.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. Difluorocarbene studied with threshold photoelectron spectroscopy (TPES): measurement of the first adiabatic ionization energy (AIE) of CF(2).

    PubMed

    Innocenti, Fabrizio; Eypper, Marie; Lee, Edmond P F; Stranges, Stefano; Mok, Daniel K W; Chau, Foo-tim; King, George C; Dyke, John M

    2008-01-01

    The first photoelectron band of difluorocarbene CF(2), has been studied by threshold photoelectron (TPE) spectroscopy. CF(2) was prepared by microwave discharge of a flowing mixture of hexafluoropropene, C(3)F(6), and argon. A vibrationally resolved band was observed in which at least twenty-two components were observed. In the first PE band of CF(2), the adiabatic ionization energy differs significantly from the vertical ionization energy because, for the ionization CF(2) (+) (X(2)A(1))+e(-) <-- CF(2) (X(1)A(1)), there is an increase in the FCF bond angle (by approximately 20 degrees ) and a decrease in the C--F bond length (by approximately 0.7 A). The adiabatic component was not observed in the experimental TPE spectrum. However, on comparing this spectrum with an ab initio/Franck-Condon simulation of this band, using results from high-level ab initio calculations, the structure associated with the vibrational components could be assigned. This led to alignment of the experimental TPE spectrum and the computed Franck-Condon envelope, and a determination of the first adiabatic ionization energy of CF(2) as (11.362+/-0.005) eV. From the assignment of the vibrational structure, values were obtained for the harmonic and fundamental frequencies of the symmetric stretching mode (nu(1)') and symmetric bending mode (nu(2)') in CF(2) (+) (X(2)A(1)). PMID:19006171

  16. Approximate spatial reasoning

    NASA Technical Reports Server (NTRS)

    Dutta, Soumitra

    1988-01-01

    A model for approximate spatial reasoning using fuzzy logic to represent the uncertainty in the environment is presented. Algorithms are developed which can be used to reason about spatial information expressed in the form of approximate linguistic descriptions similar to the kind of spatial information processed by humans. Particular attention is given to static spatial reasoning.

  17. Representing Adiabatic Potential Energy Surfaces Coupled by Conical Intersections in their Full Dimensionality Using Coupled Quasi-Diabatic States

    NASA Astrophysics Data System (ADS)

    Yarkony, David

    2015-03-01

    The construction of fit single state potential energy surfaces (PESs), analytic representations of ab initio electronic energies and energy gradients, is now well established. These single state PESs, which are essential for accurate quantum dynamics and have found wide application in more approximate quasi-classical treatments, have revolutionized adiabatic dynamics. The situation for nonadiabatic processes involving dissociative and large amplitude motion is less sanguine. In these cases, compared to single electronic state dynamics, both the electronic structure data and the representation are more challenging to determine. We describe the recent development and applications of algorithms that enable description of multiple adiabatic electronic potential energy surfaces coupled by conical intersections in their full dimensionality using coupled quasi-diabatic states. These representations are demonstrably quasi-diabatic, provide accurate representations of conical intersection seams and can smooth out the discontinuities in electronic structure energies due to changing active orbital spaces that routinely afflict global multistate representations.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.…

  6. 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

  7. 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.

  8. 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.

  9. 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…

  10. 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)

  11. Inferring effective interactions from the local density of states: application to STM data from Bi_2Sr_2CaCu_2O_8 delta

    SciTech Connect

    Jamei, R.

    2010-04-06

    While the influence of impurities on the local density of states (LDOS) in a metal is notoriously non-local due to interference effects, low order moments of the LDOS in general can be shown to depend only on the local structure of the Hamiltonian. Specifically, we show that an analysis of the spatial variations of these moments permits one to 'work backwards' from scanning tunneling microscopy (STM) data to infer the local structure of the underlying effective Hamiltonian. Applying this analysis to STM data from the high temperature superconductor, Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}}, we find that the variations of the electro-chemical potential are remarkably small (i.e., the disorder is, in a sense, weak) but that there are large variations in the local magnitude of the d-wave gap parameter.

  12. Optimization of generalized dielectric nanostructures for enhanced light trapping in thin-film photovoltaics via boosting the local density of optical states.

    PubMed

    Wang, Peng; Menon, Rajesh

    2014-01-13

    Recent work has shown that using a high-index cladding atop a lower-index photovoltaic absorber enables absorption of light beyond the ergodic (4n2) limit. In this paper, we propose a generalized optimization method for deriving optimal geometries that allow for such enhancement. Specifically, we adapted the direct-binary-search algorithm to optimize a complex 2-D multi-layer structure with the explicit goal of increasing photocurrent. We show that such an optimization results in enhancing the local density of optical states in an ultra-thin absorber, which forms a slot-waveguide geometry in the presence of a higher-index overcladding. Numerical simulations confirmed optical absorption approaching 100% and absorption-enhancement beyond the ergodic (4n2) limit for specific spectral bands of interest. Our method provides a direct, intuitive and computationally scalable approach for designing light-trapping nanostructures.

  13. Tailoring local density of optical states to control emission intensity and anisotropy of quantum dots in hybrid photonic-plasmonic templates

    SciTech Connect

    Indukuri, Chaitanya; Mukherjee, Arnab; Basu, J. K.

    2015-03-30

    We report results of controlled tuning of the local density of states (LDOS) in versatile, flexible, and hierarchical self assembled plasmonic templates. Using 5 nm diameter gold (Au) spherical nanoantenna within a polymer template randomly dispersed with quantum dots, we show how the photoluminescence intensity and lifetime anisotropy of these dots can be significantly enhanced through LDOS tuning. Finite difference time domain simulations corroborate the experimental observations and extend the regime of enhancement to a wider range of geometric and spectral parameters bringing out the versatility of these functional plasmonic templates. It is also demonstrated how the templates act as plasmonic resonators for effectively engineer giant enhancement of the scattering efficiency of these nano antenna embedded in the templates. Our work provides an alternative method to achieve spontaneous emission intensity and anisotropy enhancement with true nanoscale plasmon resonators.

  14. Vibrational coherences in charge-transfer dyes: A non-adiabatic picture

    SciTech Connect

    Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco

    2014-10-28

    Essential-state models efficiently describe linear and nonlinear spectral properties of different families of charge-transfer chromophores. Here, the essential-state machinery is applied to the calculation of the early-stage dynamics after ultrafast (coherent) excitation of polar and quadrupolar chromophores. The fully non-adiabatic treatment of coupled electronic and vibrational motion allows for a reliable description of the dynamics of these intriguing systems. In particular, the proposed approach is reliable even when the adiabatic and harmonic approximations do not apply, such as for quadrupolar dyes that show a multistable, broken-symmetry excited state. Our approach quite naturally leads to a clear picture for a dynamical Jahn-Teller effect in these systems. The recovery of symmetry due to dynamical effects is however disrupted in polar solvents where a static symmetry lowering is observed. More generally, thermal disorder in polar solvents is responsible for dephasing phenomena, damping the coherent oscillations with particularly important effects in the case of polar dyes.

  15. 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)(+).

  16. Approximate kernel competitive learning.

    PubMed

    Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

    2015-03-01

    Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches.

  17. Approximate kernel competitive learning.

    PubMed

    Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

    2015-03-01

    Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches. PMID:25528318

  18. Band gaps, ionization potentials, and electron affinities of periodic electron systems via the adiabatic-connection fluctuation-dissipation theorem

    NASA Astrophysics Data System (ADS)

    Trushin, Egor; Betzinger, Markus; Blügel, Stefan; Görling, Andreas

    2016-08-01

    An approach to calculate fundamental band gaps, ionization energies, and electron affinities of periodic electron systems is explored. Starting from total energies obtained with the help of the adiabatic-connection fluctuation-dissipation (ACFD) theorem, these physical observables are calculated according to their basic definition by differences of the total energies of the N -, (N -1 ) -, and (N +1 ) -electron system. The response functions entering the ACFD theorem are approximated here by the direct random phase approximation (dRPA). For a set of prototypical semiconductors and insulators it is shown that even with this quite drastic approximation the resulting band gaps are very close to experiment and of a similar quality to those from the computationally more involved G W approximation. By going beyond the dRPA in the future the accuracy of the calculated band gaps may be significantly improved further.

  19. Critical stability of almost adiabatic convection in a rapidly rotating thick spherical shell

    SciTech Connect

    Starchenko, S. V.; Kotelnikova, M. S.

    2013-02-15

    In this work, the convection equations in the almost adiabatic approximation is studied for which the choice of physical parameters is primarily based on possible applications to the hydrodynamics of the deep interiors of the Earth and planets and moons of the terrestrial group. The initial system of partial differential equations (PDEs) was simplified to a single second-order ordinary differential equation for the pressure or vertical velocity component to investigate the linear stability of convection. The critical frequencies, modified Rayleigh numbers, and distributions of convection are obtained at various possible Prandtl numbers and in different thick fluid shells. An analytical WKB-type solution was obtained for the case when the inner radius of the shell is much smaller than the outer radius and convective sources are concentrated along the inner boundary.

  20. 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.

  1. On Stochastic Approximation.

    ERIC Educational Resources Information Center

    Wolff, Hans

    This paper deals with a stochastic process for the approximation of the root of a regression equation. This process was first suggested by Robbins and Monro. The main result here is a necessary and sufficient condition on the iteration coefficients for convergence of the process (convergence with probability one and convergence in the quadratic…

  2. Optimal approximate doubles

    NASA Astrophysics Data System (ADS)

    Huang, Siendong

    2009-11-01

    The nonlocality of quantum states on a bipartite system \\mathcal {A+B} is tested by comparing probabilistic outcomes of two local observables of different subsystems. For a fixed observable A of the subsystem \\mathcal {A,} its optimal approximate double A' of the other system \\mathcal {B} is defined such that the probabilistic outcomes of A' are almost similar to those of the fixed observable A. The case of σ-finite standard von Neumann algebras is considered and the optimal approximate double A' of an observable A is explicitly determined. The connection between optimal approximate doubles and quantum correlations is explained. Inspired by quantum states with perfect correlation, like Einstein-Podolsky-Rosen states and Bohm states, the nonlocality power of an observable A for general quantum states is defined as the similarity that the outcomes of A look like the properties of the subsystem \\mathcal {B} corresponding to A'. As an application of optimal approximate doubles, maximal Bell correlation of a pure entangled state on \\mathcal {B}(\\mathbb {C}^{2})\\otimes \\mathcal {B}(\\mathbb {C}^{2}) is found explicitly.

  3. Approximating Integrals Using Probability

    ERIC Educational Resources Information Center

    Maruszewski, Richard F., Jr.; Caudle, Kyle A.

    2005-01-01

    As part of a discussion on Monte Carlo methods, which outlines how to use probability expectations to approximate the value of a definite integral. The purpose of this paper is to elaborate on this technique and then to show several examples using visual basic as a programming tool. It is an interesting method because it combines two branches of…

  4. Two Timescale Approximation Applied to Gravitational Waves from Eccentric EMRIs

    NASA Astrophysics Data System (ADS)

    Moxon, Jordan; Flanagan, Eanna; Hinderer, Tanja; Pound, Adam

    2016-03-01

    Gravitational-wave driven inspirals of compact objects into massive black holes (Extreme Mass Ratio Inspirals - EMRIs) form an interesting, long-lived signal for future space-based gravitational wave detectors. Accurate signal predictions will be necessary to take full advantage of matched filtering techniques, motivating the development of a calculational technique for deriving the gravitational wave signal to good approximation throughout the inspiral. We report on recent work on developing the two-timescale technique with the goal of predicting waveforms from eccentric equatorial systems to subleading (post-adiabatic) order in the phase, building on recent work by Pound in the scalar case. The computation requires us to understand the dissipative component of the second-order self force. It also demands careful consideration of how the two timescale (near-zone) approximation should match with the post-Minkowski approximation of the gravitational waves at great distances.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. Adiabatic pipelining: a key to ternary computing with quantum dots.

    PubMed

    Pečar, P; Ramšak, A; Zimic, N; Mraz, M; Lebar Bajec, I

    2008-12-10

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  15. Fast quasi-adiabatic gas cooling: an experiment revisited

    NASA Astrophysics Data System (ADS)

    Oss, S.; Gratton, L. M.; Calzà, G.; López-Arias, T.

    2012-09-01

    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. Both the experimental setup and the associated theoretical interpretation of the cooling phenomenon are suited for a standard general physics course at undergraduate level.

  16. Adiabatic expansion of a strongly correlated pure electron plasma

    SciTech Connect

    Dubin, D.H.E.; O'Neil, T.M.

    1986-02-17

    Adiabatic expansion is proposed as a method of increasing the degree of correlation of a magnetically confined pure electron plasma. Quantum mechanical effects and correlation effects make the physics of the expansion quite different from that for a classical ideal gas. The proposed expansion may be useful in a current experimental effort to cool a pure electron plasma to the liquid and solid (crystalline) states.

  17. Adiabatic expansion of a strongly correlated pure electron plasma

    NASA Astrophysics Data System (ADS)

    Dubin, D. H. E.; Oneil, T. M.

    1986-02-01

    Adiabatic expansion is proposed as a method of increasing the degree of correlation of a magnetically confined pure electron plasma. Quantum mechanical effects and correlation effects make the physics of the expansion quite different from that for a classical ideal gas. The proposed expansion may be useful in a current experimental effort to cool a pure electron plasma to the liquid and solid (crystalline) states.

  18. Geometric Phase for Adiabatic Evolutions of General Quantum States

    SciTech Connect

    Wu, Biao; Liu, Jie; Niu, Qian; Singh, David J

    2005-01-01

    The concept of a geometric phase (Berry's phase) is generalized to the case of noneigenstates, which is applicable to both linear and nonlinear quantum systems. This is particularly important to nonlinear quantum systems, where, due to the lack of the superposition principle, the adiabatic evolution of a general state cannot be described in terms of eigenstates. For linear quantum systems, our new geometric phase reduces to a statistical average of Berry's phases. Our results are demonstrated with a nonlinear two-level model.

  19. Complete Cycle Experiments Using the Adiabatic Gas Law Apparatus

    NASA Astrophysics Data System (ADS)

    Kutzner, Mickey D.; Plantak, Mateja

    2014-10-01

    The ability of our society to make informed energy-usage decisions in the future depends partly on current science and engineering students retaining a deep understanding of the thermodynamics of heat engines. Teacher imaginations and equipment budgets can both be taxed in the effort to engage students in hands-on heat engine activities. The experiments described in this paper, carried out using the Adiabatic Gas Law Apparatus1 (AGLA), quantitatively explore popular complete cycle heat engine processes.

  20. Accurate calculation and assignment of highly excited vibrational levels of floppy triatomic molecules in a basis of adiabatic vibrational eigenstates

    NASA Astrophysics Data System (ADS)

    Bačić, Z.

    1991-09-01

    We show that the triatomic adiabatic vibrational eigenstates (AVES) provide a convenient basis for accurate discrete variable representation (DVR) calculation and automatic assignment of highly excited, large amplitude motion vibrational states of floppy triatomic molecules. The DVR-AVES states are eigenvectors of the diagonal (in the stretch states) blocks of the adiabatically rearranged triatomic DVR-ray eigenvector (DVR-REV) Hamiltonian [J. C. Light and Z. Bačić, J. Chem. Phys. 87, 4008 (1987)]. The transformation of the full triatomic vibrational Hamiltonian from the DVR-REV basis to the new DVR-AVES basis is simple, and does not involve calculation of any new matrix elements. No dynamical approximation is made in the energy level calculation by the DVR-AVES approach; its accuracy and efficiency are identical to those of the DVR-REV method. The DVR-AVES states, as the adiabatic approximation to the vibrational states of a triatomic molecule, are labeled by three vibrational quantum numbers. Consequently, accurate large amplitude motion vibrational levels obtained by diagonalizing the full vibrational Hamiltonian transformed to the DVR-AVES basis, can be assigned automatically by the code, with the three quantum numbers of the dominant DVR-AVES state associated with the largest (by modulus) eigenvector element in the DVR-AVES basis. The DVR-AVES approach is used to calculate accurate highly excited localized and delocalized vibrational levels of HCN/HNC and LiCN/LiNC. A significant fraction of localized states of both systems, below and above the isomerization barrier, is assigned automatically, without inspection of wave function plots or separate approximate calculations.

  1. Optimizing the Zeldovich approximation

    NASA Technical Reports Server (NTRS)

    Melott, Adrian L.; Pellman, Todd F.; Shandarin, Sergei F.

    1994-01-01

    We have recently learned that the Zeldovich approximation can be successfully used for a far wider range of gravitational instability scenarios than formerly proposed; we study here how to extend this range. In previous work (Coles, Melott and Shandarin 1993, hereafter CMS) we studied the accuracy of several analytic approximations to gravitational clustering in the mildly nonlinear regime. We found that what we called the 'truncated Zeldovich approximation' (TZA) was better than any other (except in one case the ordinary Zeldovich approximation) over a wide range from linear to mildly nonlinear (sigma approximately 3) regimes. TZA was specified by setting Fourier amplitudes equal to zero for all wavenumbers greater than k(sub nl), where k(sub nl) marks the transition to the nonlinear regime. Here, we study the cross correlation of generalized TZA with a group of n-body simulations for three shapes of window function: sharp k-truncation (as in CMS), a tophat in coordinate space, or a Gaussian. We also study the variation in the crosscorrelation as a function of initial truncation scale within each type. We find that k-truncation, which was so much better than other things tried in CMS, is the worst of these three window shapes. We find that a Gaussian window e(exp(-k(exp 2)/2k(exp 2, sub G))) applied to the initial Fourier amplitudes is the best choice. It produces a greatly improved crosscorrelation in those cases which most needed improvement, e.g. those with more small-scale power in the initial conditions. The optimum choice of kG for the Gaussian window is (a somewhat spectrum-dependent) 1 to 1.5 times k(sub nl). Although all three windows produce similar power spectra and density distribution functions after application of the Zeldovich approximation, the agreement of the phases of the Fourier components with the n-body simulation is better for the Gaussian window. We therefore ascribe the success of the best-choice Gaussian window to its superior treatment

  2. 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

  3. Numerical study of polaron problem in the adiabatic limit

    NASA Astrophysics Data System (ADS)

    Marsiglio, Frank; Li, Zhou; Blois, Cindy; Baillie, Devin

    2010-03-01

    We study the polaron problem in a one dimensional chain and on a two dimensional square lattice. The models we have used are the Holstein model and the Su-Schrieffer-Heeger (SSH) model. By a variational procedure based on the Lanczos method, we are able to examine the polaron problem in the limit when the mass of the ion is very large, i.e. close to the adiabatic limit. It is known that for the Holstein model there is no phase transition [1] for any nonzero phonon energy. It is also known that for the one dimensional Holstein or SSH model there will be long range order [2] (e.g. dimerization) in the adiabatic limit at half-filling. It is then interesting to study the long range order on a two dimensional square lattice in and away from the adiabatic limit. Moreover, recent progress for the single polaron near an impurity (disorder) [3] make it an interesting problem for studying bond length disorder which can change the hopping energy in a specific direction in the Holstein model. Reference: [1] H. Lowen, Phys.Rev.B 37, 8661 (1988) [2] J.E.Hirsch and E. Frandkin, Phys. Rev. Lett. 49, 402 (1982) [3]A.S.Mishchenko et.al Phys.Rev.B 79(2009) 180301(R)

  4. Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

    NASA Technical Reports Server (NTRS)

    Smelyanskiy, Vadius; vonToussaint, Udo V.; Timucin, Dogan A.; Clancy, Daniel (Technical Monitor)

    2002-01-01

    We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

  5. Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

    NASA Technical Reports Server (NTRS)

    Smelyanskiy, V. N.; Toussaint, U. V.; Timucin, D. A.

    2002-01-01

    We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum excitation gap. g min, = O(n 2(exp -n/2), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to 'the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

  6. Conditions for super-adiabatic droplet growth after entrainment mixing

    NASA Astrophysics Data System (ADS)

    Yang, Fan; Shaw, Raymond; Xue, Huiwen

    2016-07-01

    Cloud droplet response to entrainment and mixing between a cloud and its environment is considered, accounting for subsequent droplet growth during adiabatic ascent following a mixing event. The vertical profile for liquid water mixing ratio after a mixing event is derived analytically, allowing the reduction to be predicted from the mixing fraction and from the temperature and humidity for both the cloud and environment. It is derived for the limit of homogeneous mixing. The expression leads to a critical height above the mixing level: at the critical height the cloud droplet radius is the same for both mixed and unmixed parcels, and the critical height is independent of the updraft velocity and mixing fraction. Cloud droplets in a mixed parcel are larger than in an unmixed parcel above the critical height, which we refer to as the "super-adiabatic" growth region. Analytical results are confirmed with a bin microphysics cloud model. Using the model, we explore the effects of updraft velocity, aerosol source in the environmental air, and polydisperse cloud droplets. Results show that the mixed parcel is more likely to reach the super-adiabatic growth region when the environmental air is humid and clean. It is also confirmed that the analytical predictions are matched by the volume-mean cloud droplet radius for polydisperse size distributions. The findings have implications for the origin of large cloud droplets that may contribute to onset of collision-coalescence in warm clouds.

  7. Steam bottoming cycle for an adiabatic diesel engine

    SciTech Connect

    Poulin, E.; Demler, R.; Krepchin, I.; Walker, D.

    1984-03-01

    A study of steam bottoming cycles using adiabatic diesel engine exhaust heat projected substantial performance and economic benefits for long haul trucks. A parametric analysis of steam cycle and system component variables, system cost, size and performance was conducted. 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. When applied to a NASA specified turbo-charged adiabatic diesel the bottoming system increased the diesel output by almost 18%. In a comparison of the costs of the diesel with bottoming system (TC/B) and a NASA specified turbocompound adiabatic diesel with after-cooling with the same total output, the annual fuel savings less the added maintenance cost was determined to cover the increased initial cost of the TC/B system in a payback period of 2.3 years. Also during this program steam bottoming system freeze protection strategies were developed, technological advances required for improved system reliability were considered and the cost and performance of advanced systems were evaluated.

  8. NMR implementation of adiabatic SAT algorithm using strongly modulated pulses.

    PubMed

    Mitra, Avik; Mahesh, T S; Kumar, Anil

    2008-03-28

    NMR implementation of adiabatic algorithms face severe problems in homonuclear spin systems since the qubit selective pulses are long and during this period, evolution under the Hamiltonian and decoherence cause errors. The decoherence destroys the answer as it causes the final state to evolve to mixed state and in homonuclear systems, evolution under the internal Hamiltonian causes phase errors preventing the initial state to converge to the solution state. The resolution of these issues is necessary before one can proceed to implement an adiabatic algorithm in a large system where homonuclear coupled spins will become a necessity. In the present work, we demonstrate that by using "strongly modulated pulses" (SMPs) for the creation of interpolating Hamiltonian, one can circumvent both the problems and successfully implement the adiabatic SAT algorithm in a homonuclear three qubit system. This work also demonstrates that the SMPs tremendously reduce the time taken for the implementation of the algorithm, can overcome problems associated with decoherence, and will be the modality in future implementation of quantum information processing by NMR. PMID:18376911

  9. NMR implementation of adiabatic SAT algorithm using strongly modulated pulses

    NASA Astrophysics Data System (ADS)

    Mitra, Avik; Mahesh, T. S.; Kumar, Anil

    2008-03-01

    NMR implementation of adiabatic algorithms face severe problems in homonuclear spin systems since the qubit selective pulses are long and during this period, evolution under the Hamiltonian and decoherence cause errors. The decoherence destroys the answer as it causes the final state to evolve to mixed state and in homonuclear systems, evolution under the internal Hamiltonian causes phase errors preventing the initial state to converge to the solution state. The resolution of these issues is necessary before one can proceed to implement an adiabatic algorithm in a large system where homonuclear coupled spins will become a necessity. In the present work, we demonstrate that by using "strongly modulated pulses" (SMPs) for the creation of interpolating Hamiltonian, one can circumvent both the problems and successfully implement the adiabatic SAT algorithm in a homonuclear three qubit system. This work also demonstrates that the SMPs tremendously reduce the time taken for the implementation of the algorithm, can overcome problems associated with decoherence, and will be the modality in future implementation of quantum information processing by NMR.

  10. Adiabatic shear mechanisms for the hard cutting process

    NASA Astrophysics Data System (ADS)

    Yue, Caixu; Wang, Bo; Liu, Xianli; Feng, Huize; Cai, Chunbin

    2015-05-01

    The most important consequence of adiabatic shear phenomenon is formation of sawtooth chip. Lots of scholars focused on the formation mechanism of sawtooth, and the research often depended on experimental approach. For the present, the mechanism of sawtooth chip formation still remains some ambiguous aspects. This study develops a combined numerical and experimental approach to get deeper understanding of sawtooth chip formation mechanism for Polycrystalline Cubic Boron Nitride (PCBN) tools orthogonal cutting hard steel GCr15. By adopting the Johnson-Cook material constitutive equations, the FEM simulation model established in this research effectively overcomes serious element distortions and cell singularity in high strain domain caused by large material deformation, and the adiabatic shear phenomenon is simulated successfully. Both the formation mechanism and process of sawtooth are simulated. Also, the change features regarding the cutting force as well as its effects on temperature are studied. More specifically, the contact of sawtooth formation frequency with cutting force fluctuation frequency is established. The cutting force and effect of cutting temperature on mechanism of adiabatic shear are investigated. Furthermore, the effects of the cutting condition on sawtooth chip formation are researched. The researching results show that cutting feed has the most important effect on sawtooth chip formation compared with cutting depth and speed. This research contributes a better understanding of mechanism, feature of chip formation in hard turning process, and supplies theoretical basis for the optimization of hard cutting process parameters.

  11. Non-adiabatic pulsations in %delta; Scuti stars

    NASA Astrophysics Data System (ADS)

    Moya, A.; Garrido, R.; Dupret, M. A.

    2004-01-01

    For δ Scuti stars, phase differences and amplitude ratios between the relative effective temperature variation and the relative radial displacement can be derived from multicolor photometric observations. The same quantities can be also calculated from theoretical non-adiabatic pulsation models. We present here these theoretical results, which indicate that non-adiabatic quantities depend on the mixing length parameter α used to treat the convection in the standard Mixing Length Theory (MLT). This dependence can be used to test and to constrain, through multicolor observations, the way MLT describes convection in the outermost layers of the star. We will use the equilibrium models provided by the CESAM evolutionary code. The pulsational observables are calculated by using a non-adiabatic pulsation code developed by R. Garridon and A. Moya. In the evolutionary and pulsation codes, a complete reconstruction of the non-grey atmosphere (Kurucz models) is included. The interaction between pulsation and atmosphere, as described by Dupret et al. (2002), is also included in the code.

  12. Irreconcilable difference between quantum walks and adiabatic quantum computing

    NASA Astrophysics Data System (ADS)

    Wong, Thomas G.; Meyer, David A.

    2016-06-01

    Continuous-time quantum walks and adiabatic quantum evolution are two general techniques for quantum computing, both of which are described by Hamiltonians that govern their evolutions by Schrödinger's equation. In the former, the Hamiltonian is fixed, while in the latter, the Hamiltonian varies with time. As a result, their formulations of Grover's algorithm evolve differently through Hilbert space. We show that this difference is fundamental; they cannot be made to evolve along each other's path without introducing structure more powerful than the standard oracle for unstructured search. For an adiabatic quantum evolution to evolve like the quantum walk search algorithm, it must interpolate between three fixed Hamiltonians, one of which is complex and introduces structure that is stronger than the oracle for unstructured search. Conversely, for a quantum walk to evolve along the path of the adiabatic search algorithm, it must be a chiral quantum walk on a weighted, directed star graph with structure that is also stronger than the oracle for unstructured search. Thus, the two techniques, although similar in being described by Hamiltonians that govern their evolution, compute by fundamentally irreconcilable means.

  13. Novel developments and applications of the classical adiabatic dynamics technique

    NASA Astrophysics Data System (ADS)

    Rosso, Lula

    The present work aims to apply and develop modern molecular dynamics techniques based on a novel analysis of the classical adiabatic dynamics approach. In the first part of this thesis, Car-Parrinello ab-initio molecular dynamics, a successful technique based on adiabatic dynamics, is used to study the charge transport mechanism in solid ammonium perchlorate (AP) crystal exposed to an ammonia-rich environment. AP is a solid-state proton conductor composed of NH+4 and ClO-4 units that can undergo a decomposition process at high temperature, leading to its use such as rocket fuel. After computing IR spectra and carefully analysing the dynamics at different temperatures, we found that the charge transport mechanism in the pure crystal is dominated by diffusion of the ammonium ions and that the translational diffusion is strongly coupled to rotational diffusion of the two types of ions present. When the pure ammonium-perchlorate crystal is doped with neutral ammonia, another mechanism comes into play, namely, the Grotthuss proton hopping mechanism via short-lived N2H+7 complexes. In the second part of this thesis, adiabatic dynamics will be used to develop an alternative approach to the calculation of free energy profiles along reaction paths. The new method (AFED) is based on the creation of an adiabatic separation between the reaction coordinate subspace and the remaining degrees of freedom within a molecular dynamics run. This is achieved by associating with the reaction coordinate(s) a high temperature and large mass. These conditions allow the activated process to occur while permitting the remaining degrees of freedom to respond adiabatically. In this limit, by applying a formal multiple time scale Liouville operator factorization, it can be rigorously shown that the free energy profile is obtained directly from the probability distribution of the reaction coordinate subspace and, therefore, no postprocessing of the output data is required. The new method is

  14. Local density of states analysis using Bader decomposition for N2 and CO2 adsorbed on Pt(110)-(1 × 2) electrodes

    NASA Astrophysics Data System (ADS)

    Gudmundsdóttir, Sigrídur; Tang, Wenjie; Henkelman, Graeme; Jónsson, Hannes; Skúlason, Egill

    2012-10-01

    Local density of states and electric charge in regions defined for individual atoms and molecules using grid based Bader analysis is presented for N2 and CO2 adsorbed on a platinum electrode in the presence of an applied electric field. When the density of states is projected onto Bader regions, the partial density of states for the various subregions correctly sums up to the total density of states for the whole system, unlike the commonly used projection onto spheres which results in missing contributions from some regions while others are over counted, depending on the radius chosen. The electrode is represented by a slab with a missing row reconstructed Pt(110)-(1 × 2) surface to model an edge between micro-facets on the surface of a nano-particle catalyst. For both N2 and CO2, a certain electric field window leads to adsorption. The binding of N2 to the electrode is mainly due to polarization of the molecule but for CO2 hybridization occurs between the molecular states and the states of the Pt electrode.

  15. Local density of states analysis using Bader decomposition for N2 and CO2 adsorbed on Pt(110)-(1 × 2) electrodes.

    PubMed

    Gudmundsdóttir, Sigrídur; Tang, Wenjie; Henkelman, Graeme; Jónsson, Hannes; Skúlason, Egill

    2012-10-28

    Local density of states and electric charge in regions defined for individual atoms and molecules using grid based Bader analysis is presented for N(2) and CO(2) adsorbed on a platinum electrode in the presence of an applied electric field. When the density of states is projected onto Bader regions, the partial density of states for the various subregions correctly sums up to the total density of states for the whole system, unlike the commonly used projection onto spheres which results in missing contributions from some regions while others are over counted, depending on the radius chosen. The electrode is represented by a slab with a missing row reconstructed Pt(110)-(1 × 2) surface to model an edge between micro-facets on the surface of a nano-particle catalyst. For both N(2) and CO(2), a certain electric field window leads to adsorption. The binding of N(2) to the electrode is mainly due to polarization of the molecule but for CO(2) hybridization occurs between the molecular states and the states of the Pt electrode. PMID:23126735

  16. Local density of states measurements via STM and TS on clean fresh cleaved HOPG and Gold thin films on HOPG under ambient conditions

    NASA Astrophysics Data System (ADS)

    Morean, Casey; Marijczuk, Roman; Senevirathne, Indrajith

    Highly Oriented Pyrolytic Graphite (HOPG) has many applications in physics and engineering thus understanding affiliated physical and chemical phenomena is important. This also makes HOPG an important and interesting system to study. This is an investigation of surfaces of HOPG and Au thin films (ranging about 20nm) via Scanning Tunneling Microscopy (STM) and Tunneling Spectroscopy (TS) with a Pt-Ir tip equipped Nanosurf Naio STM. In this investigation, clean fresh cleaved HOPG substrates were used. Surfaces of HOPG and Au sputter deposited at different film thicknesses were imaged via constant current mode to assess the surface consistency and roughness. Consistent atomic resolution images were obtained. The systems were then investigated via TS by applied tip voltage (V) vs. tunneling current (I) curves. These spectroscopic data were then used to assess the local density of states (LDOS) and the surface variation of LDOS. The discussion will attempt to assess the surface electronic environment of these systems in relation to the Au deposition and variation of Au thicknesses on HOPG. Since measurements were carried out in ambient conditions this adds to the complexity which will also be discussed. Lock Haven University Nanotechnology Program.

  17. A quantum relaxation-time approximation for finite fermion systems

    SciTech Connect

    Reinhard, P.-G.; Suraud, E.

    2015-03-15

    We propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of the local density approximation. This mean-field picture is augmented by collisional correlations handled in relaxation time approximation which is inspired from the corresponding semi-classical picture. The method involves the estimate of microscopic relaxation rates/times which is presently taken from the well established semi-classical experience. The relaxation time approximation implies evaluation of the instantaneous equilibrium state towards which the dynamical state is progressively driven at the pace of the microscopic relaxation time. As test case, we consider Na clusters of various sizes excited either by a swift ion projectile or by a short and intense laser pulse, driven in various dynamical regimes ranging from linear to strongly non-linear reactions. We observe a strong effect of dissipation on sensitive observables such as net ionization and angular distributions of emitted electrons. The effect is especially large for moderate excitations where typical relaxation/dissipation time scales efficiently compete with ionization for dissipating the available excitation energy. Technical details on the actual procedure to implement a working recipe of such a quantum relaxation approximation are given in appendices for completeness.

  18. Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation.

    PubMed

    Rittmeyer, Simon P; Meyer, Jörg; Juaristi, J Iñaki; Reuter, Karsten

    2015-07-24

    We assess the accuracy of vibrational damping rates of diatomic adsorbates on metal surfaces as calculated within the local-density friction approximation (LDFA). An atoms-in-molecules (AIM) type charge partitioning scheme accounts for intramolecular contributions and overcomes the systematic underestimation of the nonadiabatic losses obtained within the prevalent independent-atom approximation. The quantitative agreement obtained with theoretical and experimental benchmark data suggests the LDFA-AIM scheme as an efficient and reliable approach to account for electronic dissipation in ab initio molecular dynamics simulations of surface chemical reactions. PMID:26252696

  19. An Extension of the Krieger-Li-Iafrate Approximation to the Optimized-Effective-Potential Method

    SciTech Connect

    Wilson, B.G.

    1999-11-11

    The Krieger-Li-Iafrate approximation can be expressed as the zeroth order result of an unstable iterative method for solving the integral equation form of the optimized-effective-potential method. By pre-conditioning the iterate a first order correction can be obtained which recovers the bulk of quantal oscillations missing in the zeroth order approximation. A comparison of calculated total energies are given with Krieger-Li-Iafrate, Local Density Functional, and Hyper-Hartree-Fock results for non-relativistic atoms and ions.

  20. Approximate option pricing

    SciTech Connect

    Chalasani, P.; Saias, I.; Jha, S.

    1996-04-08

    As increasingly large volumes of sophisticated options (called derivative securities) are traded in world financial markets, determining a fair price for these options has become an important and difficult computational problem. Many valuation codes use the binomial pricing model, in which the stock price is driven by a random walk. In this model, the value of an n-period option on a stock is the expected time-discounted value of the future cash flow on an n-period stock price path. Path-dependent options are particularly difficult to value since the future cash flow depends on the entire stock price path rather than on just the final stock price. Currently such options are approximately priced by Monte carlo methods with error bounds that hold only with high probability and which are reduced by increasing the number of simulation runs. In this paper the authors show that pricing an arbitrary path-dependent option is {number_sign}-P hard. They show that certain types f path-dependent options can be valued exactly in polynomial time. Asian options are path-dependent options that are particularly hard to price, and for these they design deterministic polynomial-time approximate algorithms. They show that the value of a perpetual American put option (which can be computed in constant time) is in many cases a good approximation to the value of an otherwise identical n-period American put option. In contrast to Monte Carlo methods, the algorithms have guaranteed error bounds that are polynormally small (and in some cases exponentially small) in the maturity n. For the error analysis they derive large-deviation results for random walks that may be of independent interest.

  1. Compressible Quasi-geostrophic Convection without the Anelastic Approximation

    NASA Astrophysics Data System (ADS)

    Calkins, M. A.; Marti, P.; Julien, K. A.

    2014-12-01

    Fluid compressibility is known to be an important, non-negligible component of the dynamics of many planetary atmospheres and stellar convection zones, yet imposes severe computational constraints on numerical simulations of the compressible Navier-Stokes equations (NSE). An often employed reduced form of the NSE are the anelastic equations, which maintain fluid compressibility in the form of a depth varying, adiabatic background state onto which the perturbations cannot feed back. We present the linear theory of compressible rotating convection in a local-area, plane layer geometry. An important dimensionless parameter in convection is the ratio of kinematic viscosity to thermal diffusivity, or the Prandtl number, Pr. It is shown that the anelastic approximation cannot capture the linear instability of gases with Prandtl numbers less than approximately 0.5 in the limit of rapid rotation; the time derivative of the density fluctuation appearing in the conservation of mass equation remains important for these cases and cannot be neglected. An alternative compressible, geostrophically balanced equation set has been derived and preliminary results utilizing this new equation set are presented. Notably, this new set of equations satisfies the Proudman-Taylor theorem on small axial scales even for strongly compressible flows, does not require the flow to be nearly adiabatic, and thus allows for feedback onto the background state.

  2. Magnetic reconnection under anisotropic magnetohydrodynamic approximation

    SciTech Connect

    Hirabayashi, K.; Hoshino, M.

    2013-11-15

    We study the formation of slow-mode shocks in collisionless magnetic reconnection by using one- and two-dimensional collisionless MHD codes based on the double adiabatic approximation and the Landau closure model. We bridge the gap between the Petschek-type MHD reconnection model accompanied by a pair of slow shocks and the observational evidence of the rare occasion of in-situ slow shock observations. Our results showed that once magnetic reconnection takes place, a firehose-sense (p{sub ∥}>p{sub ⊥}) pressure anisotropy arises in the downstream region, and the generated slow shocks are quite weak comparing with those in an isotropic MHD. In spite of the weakness of the shocks, however, the resultant reconnection rate is 10%–30% higher than that in an isotropic case. This result implies that the slow shock does not necessarily play an important role in the energy conversion in the reconnection system and is consistent with the satellite observation in the Earth's magnetosphere.

  3. Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions

    SciTech Connect

    Mineo, H.; Kuo, J. L.; Niu, Y. L.; Lin, S. H.; Fujimura, Y.

    2015-08-28

    The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H{sub 2}O){sub 2} and (D{sub 2}O){sub 2}, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants were calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H{sub 2}O){sub 2} ((D{sub 2}O){sub 2}). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.

  4. Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions

    NASA Astrophysics Data System (ADS)

    Mineo, H.; Niu, Y. L.; Kuo, J. L.; Lin, S. H.; Fujimura, Y.

    2015-08-01

    The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H2O)2 and (D2O)2, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants were calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H2O)2 ((D2O)2). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.

  5. Approximate strip exchanging.

    PubMed

    Roy, Swapnoneel; Thakur, Ashok Kumar

    2008-01-01

    Genome rearrangements have been modelled by a variety of primitives such as reversals, transpositions, block moves and block interchanges. We consider such a genome rearrangement primitive Strip Exchanges. Given a permutation, the challenge is to sort it by using minimum number of strip exchanges. A strip exchanging move interchanges the positions of two chosen strips so that they merge with other strips. The strip exchange problem is to sort a permutation using minimum number of strip exchanges. We present here the first non-trivial 2-approximation algorithm to this problem. We also observe that sorting by strip-exchanges is fixed-parameter-tractable. Lastly we discuss the application of strip exchanges in a different area Optical Character Recognition (OCR) with an example.

  6. Hierarchical Approximate Bayesian Computation

    PubMed Central

    Turner, Brandon M.; Van Zandt, Trisha

    2013-01-01

    Approximate Bayesian computation (ABC) is a powerful technique for estimating the posterior distribution of a model’s parameters. It is especially important when the model to be fit has no explicit likelihood function, which happens for computational (or simulation-based) models such as those that are popular in cognitive neuroscience and other areas in psychology. However, ABC is usually applied only to models with few parameters. Extending ABC to hierarchical models has been difficult because high-dimensional hierarchical models add computational complexity that conventional ABC cannot accommodate. In this paper we summarize some current approaches for performing hierarchical ABC and introduce a new algorithm called Gibbs ABC. This new algorithm incorporates well-known Bayesian techniques to improve the accuracy and efficiency of the ABC approach for estimation of hierarchical models. We then use the Gibbs ABC algorithm to estimate the parameters of two models of signal detection, one with and one without a tractable likelihood function. PMID:24297436

  7. Adiabatic quantum computing with spin qubits hosted by molecules.

    PubMed

    Yamamoto, Satoru; Nakazawa, Shigeaki; Sugisaki, Kenji; Sato, Kazunobu; Toyota, Kazuo; Shiomi, Daisuke; Takui, Takeji

    2015-01-28

    A molecular spin quantum computer (MSQC) requires electron spin qubits, which pulse-based electron spin/magnetic resonance (ESR/MR) techniques can afford to manipulate for implementing quantum gate operations in open shell molecular entities. Importantly, nuclear spins, which are topologically connected, particularly in organic molecular spin systems, are client qubits, while electron spins play a role of bus qubits. Here, we introduce the implementation for an adiabatic quantum algorithm, suggesting the possible utilization of molecular spins with optimized spin structures for MSQCs. We exemplify the utilization of an adiabatic factorization problem of 21, compared with the corresponding nuclear magnetic resonance (NMR) case. Two molecular spins are selected: one is a molecular spin composed of three exchange-coupled electrons as electron-only qubits and the other an electron-bus qubit with two client nuclear spin qubits. Their electronic spin structures are well characterized in terms of the quantum mechanical behaviour in the spin Hamiltonian. The implementation of adiabatic quantum computing/computation (AQC) has, for the first time, been achieved by establishing ESR/MR pulse sequences for effective spin Hamiltonians in a fully controlled manner of spin manipulation. The conquered pulse sequences have been compared with the NMR experiments and shown much faster CPU times corresponding to the interaction strength between the spins. Significant differences are shown in rotational operations and pulse intervals for ESR/MR operations. As a result, we suggest the advantages and possible utilization of the time-evolution based AQC approach for molecular spin quantum computers and molecular spin quantum simulators underlain by sophisticated ESR/MR pulsed spin technology.

  8. Shortcuts to adiabaticity by counterdiabatic driving for trapped-ion displacement in phase space

    NASA Astrophysics Data System (ADS)

    An, Shuoming; Lv, Dingshun; Del Campo, Adolfo; Kim, Kihwan

    2016-09-01

    The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up time-evolution while mimicking adiabatic dynamics. Here we report the experimental implementation of counterdiabatic driving in a continuous variable system, a shortcut to the adiabatic transport of a trapped ion in phase space. The resulting dynamics is equivalent to a `fast-motion video' of the adiabatic trajectory. The robustness of this protocol is shown to surpass that of competing schemes based on classical local controls and Fourier optimization methods. Our results demonstrate that shortcuts to adiabaticity provide a robust speedup of quantum protocols of wide applicability in quantum technologies.

  9. Kibble-Zurek mechanism beyond adiabaticity: Finite-time scaling with critical initial slip

    NASA Astrophysics Data System (ADS)

    Huang, Yingyi; Yin, Shuai; Hu, Qijun; Zhong, Fan

    2016-01-01

    The Kibble-Zurek mechanism demands an initial adiabatic stage before an impulse stage to have a frozen correlation length that generates topological defects in a cooling phase transition. Here we study such a driven critical dynamics but with an initial condition that is near the critical point and that is far away from equilibrium. In this case, there is no initial adiabatic stage at all and thus adiabaticity is broken. However, we show that there again exists a finite length scale arising from the driving that divides the evolution into three stages. A relaxation-finite-time-scaling-adiabatic scenario is then proposed in place of the adiabatic-impulse-adiabatic scenario of the original Kibble-Zurek mechanism. A unified scaling theory, which combines finite-time scaling with critical initial slip, is developed to describe the universal behavior and is confirmed with numerical simulations of a two-dimensional classical Ising model.

  10. Effect of Grain Boundary Character Distribution on the Adiabatic Shear Susceptibility

    NASA Astrophysics Data System (ADS)

    Yang, Yang; Jiang, Lihong; Luo, Shuhong; Hu, Haibo; Tang, Tiegang; Zhang, Qingming

    2016-11-01

    The adiabatic shear susceptibility of AISI321 stainless steels with different grain boundary character distributions (GBCDs) was investigated by means of split-Hopkinson pressure bar. The results indicate that the width of the adiabatic shear band of the specimen after thermomechanical processing (TMP) treatment is narrower. The comparison of the stress collapse time, the critical stress, and the adiabatic shear forming energy suggests that the TMP specimens have lower adiabatic shear susceptibility than that of the solution-treated samples under the same loading condition. GBCD and grain size affected the adiabatic shear susceptibility. The high-angle boundary network of the TMP specimens was interrupted or replaced by the special grain boundary, and smaller grain size hindered the adiabatic shearing.

  11. Shortcuts to adiabaticity by counterdiabatic driving for trapped-ion displacement in phase space

    PubMed Central

    An, Shuoming; Lv, Dingshun; del Campo, Adolfo; Kim, Kihwan

    2016-01-01

    The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up time-evolution while mimicking adiabatic dynamics. Here we report the experimental implementation of counterdiabatic driving in a continuous variable system, a shortcut to the adiabatic transport of a trapped ion in phase space. The resulting dynamics is equivalent to a ‘fast-motion video' of the adiabatic trajectory. The robustness of this protocol is shown to surpass that of competing schemes based on classical local controls and Fourier optimization methods. Our results demonstrate that shortcuts to adiabaticity provide a robust speedup of quantum protocols of wide applicability in quantum technologies. PMID:27669897

  12. From Classical Nonlinear Integrable Systems to Quantum Shortcuts to Adiabaticity.

    PubMed

    Okuyama, Manaka; Takahashi, Kazutaka

    2016-08-12

    Using shortcuts to adiabaticity, we solve the time-dependent Schrödinger equation that is reduced to a classical nonlinear integrable equation. For a given time-dependent Hamiltonian, the counterdiabatic term is introduced to prevent nonadiabatic transitions. Using the fact that the equation for the dynamical invariant is equivalent to the Lax equation in nonlinear integrable systems, we obtain the counterdiabatic term exactly. The counterdiabatic term is available when the corresponding Lax pair exists and the solvable systems are classified in a unified and systematic way. Multisoliton potentials obtained from the Korteweg-de Vries equation and isotropic XY spin chains from the Toda equations are studied in detail.

  13. From Classical Nonlinear Integrable Systems to Quantum Shortcuts to Adiabaticity

    NASA Astrophysics Data System (ADS)

    Okuyama, Manaka; Takahashi, Kazutaka

    2016-08-01

    Using shortcuts to adiabaticity, we solve the time-dependent Schrödinger equation that is reduced to a classical nonlinear integrable equation. For a given time-dependent Hamiltonian, the counterdiabatic term is introduced to prevent nonadiabatic transitions. Using the fact that the equation for the dynamical invariant is equivalent to the Lax equation in nonlinear integrable systems, we obtain the counterdiabatic term exactly. The counterdiabatic term is available when the corresponding Lax pair exists and the solvable systems are classified in a unified and systematic way. Multisoliton potentials obtained from the Korteweg-de Vries equation and isotropic X Y spin chains from the Toda equations are studied in detail.

  14. Salt materials testing for a spacecraft adiabatic demagnetization refrigerator

    NASA Astrophysics Data System (ADS)

    Savage, M. L.; Kittel, P.; Roellig, T.

    As part of a technology development effort to qualify adiabatic demagnetization refrigerators for use in a NASA spacecraft, such as the Space Infrared Telescope Facility, a study of low temperature characteristics, heat capacity and resistance to dehydration was conducted for different salt materials. This report includes results of testing with cerrous metaphosphate, several synthetic rubies, and chromic potassium alum (CPA). Preliminary results show that CPA may be suitable for long-term spacecraft use, provided that the salt is property encapsulated. Methods of salt pill construction and testing for all materials are discussed, as well as reliability tests. Also, the temperature regulation scheme and the test cryostat design are briefly discussed.

  15. Magnetic shielding for a spaceborne adiabatic demagnetization refrigerator (ADR)

    NASA Technical Reports Server (NTRS)

    Warner, Brent A.; Shirron, Peter J.; Castles, Stephen H.; Serlemitsos, Aristides T.

    1991-01-01

    The Goddard Space Flight Center has studied magnetic shielding for an adiabatic demagnetization refrigerator. Four types of shielding were studied: active coils, passive ferromagnetic shells, passive superconducting coils, and passive superconducting shells. The passive superconducting shells failed by allowing flux penetration. The other three methods were successful, singly or together. Experimental studies of passive ferromagnetic shielding are compared with calculations made using the Poisson Group of programs, distributed by the Los Alamos Accelerator Code Group of the Los Alamos National Laboratory. Agreement between calculation and experiment is good. The ferromagnetic material is a silicon iron alloy.

  16. More bang for your buck: Super-adiabatic quantum engines

    PubMed Central

    Campo, A. del; Goold, J.; Paternostro, M.

    2014-01-01

    The practical untenability of the quasi-static assumption makes any realistic engine intrinsically irreversible and its operating time finite, thus implying friction effects at short cycle times. An important technological goal is thus the design of maximally efficient engines working at the maximum possible power. We show that, by utilising shortcuts to adiabaticity in a quantum engine cycle, one can engineer a thermodynamic cycle working at finite power and zero friction. Our findings are illustrated using a harmonic oscillator undergoing a quantum Otto cycle. PMID:25163421

  17. Non-Adiabatic Holonomic Quantum Gates in an atomic system

    NASA Astrophysics Data System (ADS)

    Azimi Mousolou, Vahid; Canali, Carlo M.; Sjoqvist, Erik

    2012-02-01

    Quantum computation is essentially the implementation of a universal set of quantum gate operations on a set of qubits, which is reliable in the presence of noise. We propose a scheme to perform robust gates in an atomic four-level system using the idea of non-adiabatic holonomic quantum computation proposed in [1]. The gates are realized by applying sequences of short laser pulses that drive transitions between the four energy levels in such a way that the dynamical phases vanish. [4pt] [1] E. Sjoqvist, D.M. Tong, B. Hessmo, M. Johansson, K. Singh, arXiv:1107.5127v2 [quant-ph

  18. Gravitational radiation reaction and inspiral waveforms in the adiabatic limit.

    PubMed

    Hughes, Scott A; Drasco, Steve; Flanagan, Eanna E; Franklin, Joel

    2005-06-10

    We describe progress evolving an important limit of binaries in general relativity: stellar mass compact objects spiraling into much larger black holes. Such systems are of great observational interest. We have developed tools to compute for the first time the radiation from generic orbits. Using global conservation laws, we find the orbital evolution and waveforms for special cases. For generic orbits, inspirals and waveforms can be found by augmenting our approach with an adiabatic self-force rule due to Mino. Such waveforms should be accurate enough for gravitational-wave searches. PMID:16090377

  19. Optimized sympathetic cooling of atomic mixtures via fast adiabatic strategies

    SciTech Connect

    Choi, Stephen; Sundaram, Bala; Onofrio, Roberto

    2011-11-15

    We discuss fast frictionless cooling techniques in the framework of sympathetic cooling of cold atomic mixtures. It is argued that optimal cooling of an atomic species--in which the deepest quantum degeneracy regime is achieved--may be obtained by means of sympathetic cooling with another species whose trapping frequency is dynamically changed to maintain constancy of the Lewis-Riesenfeld adiabatic invariant. Advantages and limitations of this cooling strategy are discussed, with particular regard to the possibility of cooling Fermi gases to a deeper degenerate regime.

  20. Salt materials testing for a spacecraft adiabatic demagnetization refrigerator

    NASA Technical Reports Server (NTRS)

    Savage, M. L.; Kittel, P.; Roellig, T.

    1990-01-01

    As part of a technology development effort to qualify adiabatic demagnetization refrigerators for use in a NASA spacecraft, such as the Space Infrared Telescope Facility, a study of low temperature characteristics, heat capacity and resistance to dehydration was conducted for different salt materials. This report includes results of testing with cerrous metaphosphate, several synthetic rubies, and chromic potassium alum (CPA). Preliminary results show that CPA may be suitable for long-term spacecraft use, provided that the salt is property encapsulated. Methods of salt pill construction and testing for all materials are discussed, as well as reliability tests. Also, the temperature regulation scheme and the test cryostat design are briefly discussed.

  1. Mysterious dipole synchrotron oscillations during and after adiabatic capture

    SciTech Connect

    Ng, K.Y.; /Fermilab

    2012-03-01

    Strong synchrotron oscillations were observed during and after the 2.5-MHz rf adiabatic capture of a debunched booster batch in the Main Injector. Analysis shows two possible sources for the synchrotron oscillations. One is the frequency drift of the 2.5-MHz rf after the turning off of the 53-MHz rf voltage, thus resulting in an energy mismatch with the debunched beam. The second source is the energy mismatch of the injected booster beam with the frequency of the 53-MHz rf. We have been able to rule out the first possibility.

  2. 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.

  3. Fast CNOT gate via shortcuts to adiabatic passage

    NASA Astrophysics Data System (ADS)

    Wang, Zhe; Xia, Yan; Chen, Ye-Hong; Song, Jie

    2016-10-01

    Based on the shortcuts to adiabatic passage, we propose a scheme for directly implementing a controlled-not (CNOT) gate in a cavity quantum electrodynamics system. Moreover, we generalize the scheme to realize a CNOT gate in two separate cavities connected by an optical fiber. The strictly numerical simulation shows that the schemes are fast and insensitive to the decoherence caused by atomic spontaneous emission and photon leakage. In addition, the schemes can provide a theoretical basis for the manipulation of the multiqubit quantum gates in distant nodes of a quantum network.

  4. Major Steps in the Discovery of Adiabatic Shear Bands

    NASA Astrophysics Data System (ADS)

    Dodd, Bradley; Walley, Stephen M.; Yang, Rong; Nesterenko, Vitali F.

    2015-10-01

    The standard story of the discovery of adiabatic shear bands is that it began with the American researchers Zener and Hollomon's famous 1944 paper where the phenomenon was first reported and named. However, a recent discovery by one of us (SMW) in the Cambridge University Library has shown that the phenomenon was discovered and described by a Russian researcher, V.P. Kravz-Tarnavskii, in 1928. A follow-up paper was published by two of his colleagues in 1935. Translations of the 1928 and 1935 papers may be found at http://arxiv.org/abs/1410.1353.

  5. Non-adiabatic pumping in an oscillating-piston model

    NASA Astrophysics Data System (ADS)

    Chuchem, Maya; Dittrich, Thomas; Cohen, Doron

    2012-05-01

    We consider the prototypical "piston pump" operating on a ring, where a circulating current is induced by means of an AC driving. This can be regarded as a generalized Fermi-Ulam model, incorporating a finite-height moving wall (piston) and non-trivial topology (ring). The amount of particles transported per cycle is determined by a layered structure of phase space. Each layer is characterized by a different drift velocity. We discuss the differences compared with the adiabatic and Boltzmann pictures, and highlight the significance of the "diabatic" contribution that might lead to a counter-stirring effect.

  6. Stimulated Raman adiabatic passage in Tm{sup 3+}:YAG

    SciTech Connect

    Alexander, A. L.; Lauro, R.; Louchet, A.; Chaneliere, T.; Le Goueet, J. L.

    2008-10-01

    We report on the experimental demonstration of stimulated Raman adiabatic passage in a Tm{sup 3+}:YAG crystal. Tm{sup 3+}:YAG is a promising material for use in quantum information processing applications, but as yet there are few experimental investigations of coherent Raman processes in this material. We investigate the effect of inhomogeneous broadening and Rabi frequency on the transfer efficiency and the width of the two-photon spectrum. Simulations of the complete Tm{sup 3+}:YAG system are presented along with the corresponding experimental results.

  7. Shortcut to Adiabatic Passage in Two- and Three-Level Atoms

    SciTech Connect

    Chen Xi; Lizuain, I.; Muga, J. G.; Ruschhaupt, A.; Guery-Odelin, D.

    2010-09-17

    We propose a method to speed up adiabatic passage techniques in two-level and three-level atoms extending to the short-time domain their robustness with respect to parameter variations. It supplements or substitutes the standard laser beam setups with auxiliary pulses that steer the system along the adiabatic path. Compared to other strategies, such as composite pulses or the original adiabatic techniques, it provides a fast and robust approach to population control.

  8. Tunneling conductance through the half-metal/conical magnet/superconductor junctions in the adiabatic and non-adiabatic regimes: Self-consistent calculations

    NASA Astrophysics Data System (ADS)

    Wójcik, P.; Zegrodnik, M.; Rzeszotarski, B.; Adamowski, J.

    2016-09-01

    The tunneling conductance through the half-metal/conical magnet/superconductor (HM/CM/SC) junctions is investigated with the use of the Bogoliubov-de Gennes equations in the framework of Blonder-Tinkham-Klapwijk formalism. Due to the spin band separation in the HM, the conductance in the subgap region is mainly determined by the anomalous Andreev reflection, the probability of which strongly depends on the spin transmission in the CM layer. We show that the spins of electrons injected from the HM can be transmitted through the CM to the SC either adiabatically or non-adiabatically depending on the period of the spatial modulation of the exchange field. We find that the conductance in the subgap region oscillates as a function of the CM layer thickness wherein the oscillations transform from the irregular pattern in the non-adiabatic regime to the regular one in the adiabatic regime. For both adiabatic and non-adiabatic transport regimes the conductance is studied over a broad range of parameters determining the spiral magnetization in the CM. We find that in the non-adiabatic regime, the decrease of the exchange field amplitude in the CM leads to the emergence of the conductance peak for the particular CM thickness in agreement with recent experiments.

  9. Approximate Bayesian multibody tracking.

    PubMed

    Lanz, Oswald

    2006-09-01

    Visual tracking of multiple targets is a challenging problem, especially when efficiency is an issue. Occlusions, if not properly handled, are a major source of failure. Solutions supporting principled occlusion reasoning have been proposed but are yet unpractical for online applications. This paper presents a new solution which effectively manages the trade-off between reliable modeling and computational efficiency. The Hybrid Joint-Separable (HJS) filter is derived from a joint Bayesian formulation of the problem, and shown to be efficient while optimal in terms of compact belief representation. Computational efficiency is achieved by employing a Markov random field approximation to joint dynamics and an incremental algorithm for posterior update with an appearance likelihood that implements a physically-based model of the occlusion process. A particle filter implementation is proposed which achieves accurate tracking during partial occlusions, while in cases of complete occlusion, tracking hypotheses are bound to estimated occlusion volumes. Experiments show that the proposed algorithm is efficient, robust, and able to resolve long-term occlusions between targets with identical appearance. PMID:16929730

  10. Experimental study of the validity of quantitative conditions in the quantum adiabatic theorem.

    PubMed

    Du, Jiangfeng; Hu, Lingzhi; Wang, Ya; Wu, Jianda; Zhao, Meisheng; Suter, Dieter

    2008-08-01

    The quantum adiabatic theorem plays an important role in quantum mechanics. However, counter-examples were produced recently, indicating that their transition probabilities do not converge as predicted by the adiabatic theorem [K. P. Marzlin et al., Phys. Rev. Lett. 93, 160408 (2004); D. M. Tong et al., Phys. Rev. Lett. 95, 110407 (2005)]. For a special class of Hamiltonians, we examine the standard criterion for adiabatic evolution experimentally and theoretically, as well as three newly suggested adiabatic conditions. We show that the standard criterion is neither sufficient nor necessary.

  11. 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

  12. 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

  13. Proposed parameter-free model for interpreting the measured positron annihilation spectra of materials using a generalized gradient approximation.

    PubMed

    Barbiellini, Bernardo; Kuriplach, Jan

    2015-04-10

    Positron annihilation spectroscopy is often used to analyze the local electronic structure of materials of technological interest. Reliable theoretical tools are crucial to interpret the measured spectra. Here, we propose a parameter-free gradient correction scheme for a local-density approximation obtained from high-quality quantum Monte Carlo data. The results of our calculations compare favorably with positron affinity and lifetime measurements, opening new avenues for highly precise and advanced positron characterization of materials.

  14. 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.

  15. Three Approximate Entropies

    NASA Astrophysics Data System (ADS)

    Lubkin, Elihu

    2002-04-01

    In 1993,(E. & T. Lubkin, Int.J.Theor.Phys. 32), 993 (1993) we gave exact mean trace of squared density matrix P for 3 models of an n-dimensional part of an nK-dimensional pure state. Models named: random nK ket (Haar); pure-pure driven by random Hamiltonian (Gauss); Gauss with n,K coupling reset small (weak). Neglecting higher powers of P gives the approximation: ln(n)- defines deficit = (n - 1)/2 which yields deficits, Haar: n((n+K)/(nK+1) - 1)/2 = ( n - 1/n - 1/K + 1/nnK )/2K + Order(f[n] / KKK); Gauss: (n/2)( (n+K)/(nK+1) + 2(nK+1-n-K)/nK(nK+1)(nK+3)) - 1/2 = ( n - 1/n - 1/K + 2/nK - 1/nnK )/2K + Order( f[n]/KKK ); weak: (n/2)(2(K+n)/((K+1)(n+1))) - 1/2 = (n/(n+1))(1 + (n-1)/K - (n-1)/KK + Order(f[n]/KKK)) - 1/2 [unreliable]. These would stay poor even as Karrow∞ unless deficit << 1 bit. Haar and Gauss come out good, but weak has too large a deficit. Though many authors (beginning with Don Page(D.N.Page, PRL 71), 1291 (1993)) have found the exact for Haar, I haven't yet seen exact for Gauss or for weak.

  16. Approximation by hinge functions

    SciTech Connect

    Faber, V.

    1997-05-01

    Breiman has defined {open_quotes}hinge functions{close_quotes} for use as basis functions in least squares approximations to data. A hinge function is the max (or min) function of two linear functions. In this paper, the author assumes the existence of smooth function f(x) and a set of samples of the form (x, f(x)) drawn from a probability distribution {rho}(x). The author hopes to find the best fitting hinge function h(x) in the least squares sense. There are two problems with this plan. First, Breiman has suggested an algorithm to perform this fit. The author shows that this algorithm is not robust and also shows how to create examples on which the algorithm diverges. Second, if the author tries to use the data to minimize the fit in the usual discrete least squares sense, the functional that must be minimized is continuous in the variables, but has a derivative which jumps at the data. This paper takes a different approach. This approach is an example of a method that the author has developed called {open_quotes}Monte Carlo Regression{close_quotes}. (A paper on the general theory is in preparation.) The author shall show that since the function f is continuous, the analytic form of the least squares equation is continuously differentiable. A local minimum is solved for by using Newton`s method, where the entries of the Hessian are estimated directly from the data by Monte Carlo. The algorithm has the desirable properties that it is quadratically convergent from any starting guess sufficiently close to a solution and that each iteration requires only a linear system solve.

  17. Enhanced diffusion weighting generated by selective adiabatic pulse trains

    NASA Astrophysics Data System (ADS)

    Sun, Ziqi; Bartha, Robert

    2007-09-01

    A theoretical description and experimental validation of the enhanced diffusion weighting generated by selective adiabatic full passage (AFP) pulse trains is provided. Six phantoms (Ph-1-Ph-6) were studied on a 4 T Varian/Siemens whole body MRI system. Phantoms consisted of 2.8 cm diameter plastic tubes containing a mixture of 10 μm ORGASOL polymer beads and 2 mM Gd-DTPA dissolved in 5% agar (Ph-1) or nickel(II) ammonium sulphate hexahydrate doped (56.3-0.8 mM) water solutions (Ph-2-Ph-6). A customized localization by adiabatic selective refocusing (LASER) sequence containing slice selective AFP pulse trains and pulsed diffusion gradients applied in the phase encoding direction was used to measure 1H 2O diffusion. The b-value associated with the LASER sequence was derived using the Bloch-Torrey equation. The apparent diffusion coefficients measured by LASER were comparable to those measured by a conventional pulsed gradient spin-echo (PGSE) sequence for all phantoms. Image signal intensity increased in Ph-1 and decreased in Ph-2-Ph-6 as AFP pulse train length increased while maintaining a constant echo-time. These experimental results suggest that such AFP pulse trains can enhance contrast between regions containing microscopic magnetic susceptibility variations and homogeneous regions in which dynamic dephasing relaxation mechanisms are dominant.

  18. Robust quantum logic in neutral atoms via adiabatic Rydberg dressing

    DOE PAGES

    Keating, Tyler; Cook, Robert L.; Hankin, Aaron M.; Jau, Yuan -Yu; Biedermann, Grant W.; Deutsch, Ivan H.

    2015-01-28

    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 actingmore » on doubly-excited Rydberg atoms when the blockade is imperfect. As a result, for reasonable parameters, with qubits encoded into the clock states of 133Cs, we predict that our protocol could produce a CZ gate in < 10 μs with error probability on the order of 10-3.« less

  19. AB INITIO SIMULATIONS FOR MATERIAL PROPERTIES ALONG THE JUPITER ADIABAT

    SciTech Connect

    French, Martin; Becker, Andreas; Lorenzen, Winfried; Nettelmann, Nadine; Bethkenhagen, Mandy; Redmer, Ronald; Wicht, Johannes

    2012-09-15

    We determine basic thermodynamic and transport properties of hydrogen-helium-water mixtures for the extreme conditions along Jupiter's adiabat via ab initio simulations, which are compiled in an accurate and consistent data set. In particular, we calculate the electrical and thermal conductivity, the shear and longitudinal viscosity, and diffusion coefficients of the nuclei. We present results for associated quantities like the magnetic and thermal diffusivity and the kinematic shear viscosity along an adiabat that is taken from a state-of-the-art interior structure model. Furthermore, the heat capacities, the thermal expansion coefficient, the isothermal compressibility, the Grueneisen parameter, and the speed of sound are calculated. We find that the onset of dissociation and ionization of hydrogen at about 0.9 Jupiter radii marks a region where the material properties change drastically. In the deep interior, where the electrons are degenerate, many of the material properties remain relatively constant. Our ab initio data will serve as a robust foundation for applications that require accurate knowledge of the material properties in Jupiter's interior, e.g., models for the dynamo generation.

  20. The 0.1K bolometers cooled by adiabatic demagnetization

    NASA Technical Reports Server (NTRS)

    Roellig, T.; Lesyna, L.; Kittel, P.; Werner, M.

    1983-01-01

    The most straightforward way of reducing the noise equivalent power of bolometers is to lower their operating temperature. We have been exploring the possibility of using conventionally constructed bolometers at ultra-low temperatures to achieve NEP's suitable to the background environment of cooled space telescopes. We have chosen the technique of adiabatic demagnetization of a paramagnetic salt as a gravity independent, compact, and low power way to achieve temperatures below pumped He-3 (0.3 K). The demagnetization cryostat we used was capable of reaching temperatures below 0.08 K using Chromium Potassium Alum as a salt from a starting temperature of 1.5 K and a starting magnetic field of 30,000 gauss. Computer control of the magnetic field decay allowed a temperature of 0.2 K to be maintained to within 0.5 mK over a time period exceeding 14 hours. The refrigerator duty cycle was over 90 percent at this temperature. The success of these tests has motivated us to construct a more compact portable adiabatic demagnetization cryostat capable of bolometer optical tests and use at the 5m Hale telescope at 1mm wavelengths.

  1. Sliding Seal Materials for Adiabatic Engines, Phase 2

    NASA Technical Reports Server (NTRS)

    Lankford, J.; Wei, W.

    1986-01-01

    An essential task in the development of the heavy-duty adiabatic diesel engine is identification and improvements of reliable, low-friction piston seal materials. In the present study, the sliding friction coefficients and wear rates of promising carbide, oxide, and nitride materials were measured under temperature, environmental, velocity, and loading conditions that are representative of the adiabatic engine environment. In addition, silicon nitride and partially stabilized zirconia disks were ion implanted with TiNi, Ni, Co, and Cr, and subsequently run against carbide pins, with the objective of producing reduced friction via solid lubrication at elevated temperature. 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. Electron microscopy was used to elucidate the micromechanisms of wear following wear testing, and Auger electron spectroscopy was used to evaluate interface/environment interactions which seemed to be important in the friction and wear process. Unmodified ceramic sliding couples were characterized at all temperatures by friction coefficients of 0.24 and above. The coefficient at 800 C in an oxidizing environment was reduced to below 0.1, for certain material combinations, by the ion implanation of TiNi or Co. This beneficial effect was found to derive from lubricious Ti, Ni, and Co oxides.

  2. 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.

  3. Robust quantum logic in neutral atoms via adiabatic Rydberg dressing

    SciTech Connect

    Keating, Tyler; Cook, Robert L.; Hankin, Aaron M.; Jau, Yuan -Yu; Biedermann, Grant W.; Deutsch, Ivan H.

    2015-01-28

    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+- 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. As a result, for reasonable parameters, with qubits encoded into the clock states of 133Cs, we predict that our protocol could produce a CZ gate in < 10 μs with error probability on the order of 10-3.

  4. 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.

  5. 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.

  6. Adiabatic Processes Realized with a Trapped Brownian Particle

    NASA Astrophysics Data System (ADS)

    Martínez, Ignacio A.; Roldán, Édgar; Dinis, Luis; Petrov, Dmitri; Rica, Raúl A.

    2015-03-01

    The ability to implement adiabatic processes in the mesoscale is of key importance in the study of artificial or biological micro- and nanoengines. Microadiabatic processes have been elusive to experimental implementation due to the difficulty in isolating Brownian particles from their fluctuating environment. Here we report on the experimental realization of a microscopic quasistatic adiabatic process employing a trapped Brownian particle. We circumvent the complete isolation of the Brownian particle by designing a protocol where both characteristic volume and temperature of the system are changed in such a way that the entropy of the system is conserved along the process. We compare the protocols that follow from either the overdamped or underdamped descriptions, demonstrating that the latter is mandatory in order to obtain a vanishing average heat flux to the particle. We provide analytical expressions for the distributions of the fluctuating heat and entropy and verify them experimentally. Our protocols could serve to implement the first microscopic engine that is able to attain the fundamental limit for the efficiency set by Carnot.

  7. Conditions for super-adiabatic droplet growth after entrainment mixing

    DOE PAGES

    Yang, Fan; Shaw, Raymond; Xue, Huiwen

    2016-07-29

    Cloud droplet response to entrainment and mixing between a cloud and its environment is considered, accounting for subsequent droplet growth during adiabatic ascent following a mixing event. The vertical profile for liquid water mixing ratio after a mixing event is derived analytically, allowing the reduction to be predicted from the mixing fraction and from the temperature and humidity for both the cloud and environment. It is derived for the limit of homogeneous mixing. The expression leads to a critical height above the mixing level: at the critical height the cloud droplet radius is the same for both mixed and unmixedmore » parcels, and the critical height is independent of the updraft velocity and mixing fraction. Cloud droplets in a mixed parcel are larger than in an unmixed parcel above the critical height, which we refer to as the “super-adiabatic” growth region. Analytical results are confirmed with a bin microphysics cloud model. Using the model, we explore the effects of updraft velocity, aerosol source in the environmental air, and polydisperse cloud droplets. Results show that the mixed parcel is more likely to reach the super-adiabatic growth region when the environmental air is humid and clean. It is also confirmed that the analytical predictions are matched by the volume-mean cloud droplet radius for polydisperse size distributions. The findings have implications for the origin of large cloud droplets that may contribute to onset of collision–coalescence in warm clouds.« less

  8. 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.

  9. Schedule path optimization for adiabatic quantum computing and optimization

    NASA Astrophysics Data System (ADS)

    Zeng, Lishan; Zhang, Jun; Sarovar, Mohan

    2016-04-01

    Adiabatic quantum computing and optimization have garnered much attention recently as possible models for achieving a quantum advantage over classical approaches to optimization and other special purpose computations. Both techniques are probabilistic in nature and the minimum gap between the ground state and first excited state of the system during evolution is a major factor in determining the success probability. In this work we investigate a strategy for increasing the minimum gap and success probability by introducing intermediate Hamiltonians that modify the evolution path between initial and final Hamiltonians. We focus on an optimization problem relevant to recent hardware implementations and present numerical evidence for the existence of a purely local intermediate Hamiltonian that achieve the optimum performance in terms of pushing the minimum gap to one of the end points of the evolution. As a part of this study we develop a convex optimization formulation of the search for optimal adiabatic schedules that makes this computation more tractable, and which may be of independent interest. We further study the effectiveness of random intermediate Hamiltonians on the minimum gap and success probability, and empirically find that random Hamiltonians have a significant probability of increasing the success probability, but only by a modest amount.

  10. Exact and approximate Kohn-Sham potentials in ensemble density-functional theory

    NASA Astrophysics Data System (ADS)

    Yang, Zeng-hui; Trail, John R.; Pribram-Jones, Aurora; Burke, Kieron; Needs, Richard J.; Ullrich, Carsten A.

    2014-10-01

    We construct exact Kohn-Sham potentials for the ensemble density-functional theory (EDFT) from the ground and excited states of helium. The exchange-correlation (XC) potential is compared with the quasi-local-density approximation and both single-determinant and symmetry-eigenstate ghost-corrected exact exchange approximations. Symmetry-eigenstate Hartree exchange recovers distinctive features of the exact XC potential and is used to calculate the correlation potential. Unlike the exact case, excitation energies calculated from these approximations depend on ensemble weight, and it is shown that only the symmetry-eigenstate method produces an ensemble derivative discontinuity. Differences in asymptotic and near-ground-state behavior of exact and approximate XC potentials are discussed in the context of producing accurate optical gaps.

  11. Random Phase Approximation in Surface Chemistry: Water Splitting on Iron.

    PubMed

    Karlický, František; Lazar, Petr; Dubecký, Matúš; Otyepka, Michal

    2013-08-13

    The reaction of water with zero-valent iron (anaerobic corrosion) is a complex chemical process involving physisorption and chemisorption events. We employ random phase approximation (RPA) along with gradient-corrected and hybrid density functional theory (DFT) functionals to study the reaction of water with the Fe atom and Fe(100) surface. We show that the involvement of the exact electron exchange and nonlocal correlation effects in RPA improves the description of all steps of the reaction on the Fe surface with respect to standard [meaning local density approximation (LDA) or generalized gradient approximation (GGA)] DFT methods. The reaction profile calculated by range-separated hybrid functional HSE06 agrees reasonably well with the RPA profile, which makes HSE06 a computationally less demanding alternative to RPA. We also investigate the reaction of the Fe atom with water using DFT, RPA, and coupled-cluster through the perturbative triples complete basis set [CCSD(T)-3s3p-DKH/CBS] method. Local DFT methods significantly underestimate reaction barriers, while the reaction kinetics and thermodynamics from RPA agree with the reference CCSD(T) data. Both systems, i.e., the Fe atom and Fe(100), provide the same reaction mechanism, indicating that anaerobic corrosion is a stepwise process involving one-electron steps, with the first reaction step (formation of the HFeOH intermediate) representing the rate-limiting step. PMID:26584120

  12. Non-adiabatic processes in the charge transfer reaction of O{sub 2} molecules with potassium surfaces without dissociation

    SciTech Connect

    Krix, David; Nienhaus, Hermann

    2014-08-21

    Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K{sub 2}O{sub 2} is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

  13. 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.

  14. Collisionless magnetic reconnection under anisotropic MHD approximation

    NASA Astrophysics Data System (ADS)

    Hirabayashi, Kota; Hoshino, Masahiro

    We study the formation of slow-mode shocks in collisionless magnetic reconnection by using one- and two-dimensional collisionless magneto-hydro-dynamic (MHD) simulations based on the double adiabatic approximation, which is an important step to bridge the gap between the Petschek-type MHD reconnection model accompanied by a pair of slow shocks and the observational evidence of the rare occasion of in-situ slow shock observation. According to our results, a pair of slow shocks does form in the reconnection layer. The resultant shock waves, however, are quite weak compared with those in an isotropic MHD from the point of view of the plasma compression and the amount of the magnetic energy released across the shock. Once the slow shock forms, the downstream plasma are heated in highly anisotropic manner and a firehose-sense (P_{||}>P_{⊥}) pressure anisotropy arises. The maximum anisotropy is limited by the marginal firehose criterion, 1-(P_{||}-P_{⊥})/B(2) =0. In spite of the weakness of the shocks, the resultant reconnection rate is kept at the same level compared with that in the corresponding ordinary MHD simulations. It is also revealed that the sequential order of propagation of the slow shock and the rotational discontinuity, which appears when the guide field component exists, changes depending on the magnitude of the guide field. Especially, when no guide field exists, the rotational discontinuity degenerates with the contact discontinuity remaining at the position of the initial current sheet, while with the slow shock in the isotropic MHD. Our result implies that the slow shock does not necessarily play an important role in the energy conversion in the reconnection system and is consistent with the satellite observation in the Earth's magnetosphere.

  15. Quasi-adiabatic compression heating of selected foods

    NASA Astrophysics Data System (ADS)

    Landfeld, Ales; Strohalm, Jan; Halama, Radek; Houska, Milan

    2011-03-01

    The quasi-adiabatic temperature increase due to compression heating, during high-pressure (HP) processing (HPP), was studied using specially designed equipment. The temperature increase was evaluated as the difference in temperature, during compression, between atmospheric pressure and nominal pressure. The temperature was measured using a thermocouple in the center of a polyoxymethylene cup, which contained the sample. Fresh meat balls, pork meat pate, and tomato purée temperature increases were measured at three initial temperature levels between 40 and 80 °C. Nominal pressure was either 400 or 500 MPa. Results showed that the fat content had a positive effect on temperature increases. Empirical equations were developed to calculate the temperature increase during HPP at different initial temperatures for pressures of 400 and 500 MPa. This thermal effect data can be used for numerical modeling of temperature histories of foods during HP-assisted pasteurization or sterilization processes.

  16. Optical waveguide device with an adiabatically-varying width

    DOEpatents

    Watts; Michael R. , Nielson; Gregory N.

    2011-05-10

    Optical waveguide devices are disclosed which utilize an optical waveguide having a waveguide bend therein with a width that varies adiabatically between a minimum value and a maximum value of the width. One or more connecting members can be attached to the waveguide bend near the maximum value of the width thereof to support the waveguide bend or to supply electrical power to an impurity-doped region located within the waveguide bend near the maximum value of the width. The impurity-doped region can form an electrical heater or a semiconductor junction which can be activated with a voltage to provide a variable optical path length in the optical waveguide. The optical waveguide devices can be used to form a tunable interferometer (e.g. a Mach-Zehnder interferometer) which can be used for optical modulation or switching. The optical waveguide devices can also be used to form an optical delay line.

  17. Planar prism spectrometer based on adiabatically connected waveguiding slabs

    NASA Astrophysics Data System (ADS)

    Civitci, F.; Hammer, M.; Hoekstra, H. J. W. M.

    2016-04-01

    The device principle of a prism-based on-chip spectrometer for TE polarization is introduced. The spectrometer exploits the modal dispersion in planar waveguides in a layout with slab regions having two different thicknesses of the guiding layer. The set-up uses parabolic mirrors, for the collimation of light of the input waveguide and focusing of the light to the receiver waveguides, which relies on total internal reflection at the interface between two such regions. These regions are connected adiabatically to prevent unwanted mode conversion and loss at the edges of the prism. The structure can be fabricated with two wet etching steps. The paper presents basic theory and a general approach for device optimization. The latter is illustrated with a numerical example assuming SiON technology.

  18. Passive gas-gap heat switch for adiabatic demagnetization refrigerator

    NASA Technical Reports Server (NTRS)

    Shirron, Peter J. (Inventor); Di Pirro, Michael J. (Inventor)

    2005-01-01

    A passive gas-gap heat switch for use with a multi-stage continuous adiabatic demagnetization refrigerator (ADR). The passive gas-gap heat switch turns on automatically when the temperature of either side of the switch rises above a threshold value and turns off when the temperature on either side of the switch falls below this threshold value. One of the heat switches in this multistage process must be conductive in the 0.25? K to 0.3? K range. All of the heat switches must be capable of switching off in a short period of time (1-2 minutes), and when off to have a very low thermal conductance. This arrangement allows cyclic cooling cycles to be used without the need for separate heat switch controls.

  19. Adiabatic Floquet model for the optical response in femtosecond filaments

    NASA Astrophysics Data System (ADS)

    Hofmann, Michael; Brée, Carsten

    2016-10-01

    The standard model of femtosecond filamentation is based on phenomenological assumptions which suggest that the ionization-induced carriers can be treated as a homogeneous, uncorrelated plasma according to the Drude model, while the nonlinear response of the bound carriers is responsible for the all-optical Kerr effect. Here, we demonstrate that the additional plasma generated at a multiphoton resonance dominates the saturation of the nonlinear refractive index. Since resonances are not captured by the standard model, we propose a modification of the latter in which ionization enhancements can be accounted for by an ionization rate obtained from non-Hermitian Floquet theory. In the adiabatic regime of long pulse envelopes, this augmented standard model is in excellent agreement with direct quantum mechanical simulations. Since our proposal maintains the structure of the standard model, it can be easily incorporated into existing codes for the numerical simulation of femtosecond filaments.

  20. Adiabatic passage with spin locking in Tm3+:YAG

    NASA Astrophysics Data System (ADS)

    Pascual-Winter, M. F.; Tongning, R. C.; Lauro, R.; Louchet-Chauvet, A.; Chanelière, T.; Le Gouët, J.-L.

    2012-08-01

    In low-concentration Tm3+:YAG, we observe efficient adiabatic rapid passage (ARP) of thulium nuclear spin over flipping times much longer than T2. Efficient ARP with long flipping time has been observed in monoatomic solids for decades and has been analyzed in terms of spin temperature and of the thermodynamic equilibrium of a coupled spin ensemble. In low-concentration impurity-doped crystals the spin temperature concept may be questioned. A single spin model should be preferred since the impurity ions are weakly coupled together but interact with the numerous off-resonant matrix ions that originate the spin-spin relaxation. The experiment takes place in the context of quantum information investigation, involving impurity-doped crystals, spin hyperpolarization by optical pumping, and optical detection of the spin evolution.

  1. 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.

  2. Shortcut to Adiabaticity for an Anisotropic Gas Containing Quantum Defects.

    PubMed

    Papoular, D J; Stringari, S

    2015-07-10

    We present a shortcut to adiabaticity (STA) protocol applicable to 3D unitary Fermi gases and 2D weakly interacting Bose gases containing defects such as vortices or solitons. Our protocol relies on a new class of exact scaling solutions in the presence of anisotropic time-dependent harmonic traps. It connects stationary states in initial and final traps having the same frequency ratios. The resulting scaling laws exhibit a universal form and also apply to the classical Boltzmann gas. The duration of the STA can be made very short so as to realize a quantum quench from one stationary state to another. When applied to an anisotropically trapped superfluid gas, the STA conserves the shape of the quantum defects hosted by the cloud, thereby acting like a perfect microscope, which sharply contrasts with their strong distortion occurring during the free expansion of the cloud.

  3. Multiphoton Raman Atom Optics with Frequency-Swept Adiabatic Passage

    NASA Astrophysics Data System (ADS)

    Kotru, Krish; Butts, David; Kinast, Joseph; Stoner, Richard

    2016-05-01

    Light-pulse atom interferometry is a promising candidate for future inertial navigators, gravitational wave detectors, and measurements of fundamental physical constants. The sensitivity of this technique, however, is often limited by the small momentum separations created between interfering atom wave packets (typically ~ 2 ℏk) . We address this issue using light-pulse atom optics derived from stimulated Raman transitions and frequency-swept adiabatic rapid passage (ARP). In experiments, these Raman ARP atom optics have generated up to 30 ℏk photon recoil momenta in an acceleration-sensitive atom interferometer, thereby enhancing the phase shift per unit acceleration by a factor of 15. Since this approach forgoes evaporative cooling and velocity selection, it could enable large-area atom interferometry at higher data rates, while also lowering the atom shot-noise-limited measurement uncertainty.

  4. 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.

  5. Hydroxylamine nitrate self-catalytic kinetics study with adiabatic calorimetry.

    PubMed

    Liu, Lijun; Wei, Chunyang; Guo, Yuyan; Rogers, William J; Sam Mannan, M

    2009-03-15

    Hydroxylamine nitrate (HAN) is an important member of the hydroxylamine compound family with applications that include equipment decontamination in the nuclear industry and aqueous or solid propellants. Due to its instability and autocatalytic behavior, HAN has been involved in several incidents at the Hanford and Savannah River Site (SRS) [Technical Report on Hydroxylamine Nitrate, US Department of Energy, 1998]. Much research has been conducted on HAN in different areas, such as combustion mechanism, decomposition mechanism, and runaway behavior. However, the autocatalytic decomposition behavior of HAN at runaway stage has not been fully addressed due to its highly exothermic and rapid decomposition behavior. This work is focused on extracting HAN autocatalytic kinetics and analyzing HAN critical behavior from adiabatic calorimetry measurements. A lumped autocatalytic kinetic model for HAN and associated model parameters are determined. Also the storage and handling critical conditions of diluted HAN solution without metal presence are quantified.

  6. Controlled Rapid Adiabatic Passage in a V-Type System

    NASA Astrophysics Data System (ADS)

    Song, Yunheung; Lee, Han-Gyeol; Jo, Hanlae; Ahn, Jaewook

    2016-05-01

    In chirped rapid adiabatic passage (RAP), chirp sign determines the final state to which the complete population transfer (CPT) occurs in a three-level V-type system. In this study, we show that laser intensity can be alternatively used as a control means in RAP, when the laser pulse is chirped and of a spectral hole resonant to one of the excited states. We verified such excitation selectivity in the experiment performed as-shaped femtosecond laser pulses interacting with the lowest three levels (5S, 5 P1/2, and 5 P3/2) of atomic rubidium. The successful demonstration implies that this intensity-dependent RAP in conjunction with laser beam profile programming may allow excitation selectivity for atoms or ions arranged in space.

  7. Nucleon-deuteron scattering using the adiabatic projection method

    NASA Astrophysics Data System (ADS)

    Elhatisari, Serdar; Lee, Dean; Meißner, Ulf-G.; Rupak, Gautam

    2016-06-01

    In this paper we discuss the adiabatic projection method, a general framework for scattering and reaction calculations on the lattice. We also introduce several new techniques developed to study nucleus-nucleus scattering and reactions on the lattice. We present technical details of the method for large-scale problems. To estimate the systematic errors of the calculations we consider simple two-particle scattering on the lattice. Then we benchmark the accuracy and efficiency of the numerical methods by applying these to calculate fermion-dimer scattering in lattice effective field theory with and without a long-range Coulomb potential. The fermion-dimer calculations correspond to neutron-deuteron and proton-deuteron scattering in the spin-quartet channel at leading order in the pionless effective field theory.

  8. 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.

  9. Properties of a two stage adiabatic demagnetization refrigerator

    NASA Astrophysics Data System (ADS)

    Fukuda, H.; Ueda, S.; Arai, R.; Li, J.; Saito, A. T.; Nakagome, H.; Numazawa, T.

    2015-12-01

    Currently, many space missions using cryogenic temperatures are being planned. In particular, high resolution sensors such as Transition Edge Sensors need very low temperatures, below 100 mK. It is well known that the adiabatic demagnetization refrigerator (ADR) is one of most useful tools for producing ultra-low temperatures in space because it is gravity independent. We studied a continuous ADR system consisting of 4 stages and demonstrated it could provide continuous temperatures around 100 mK. However, there was some heat leakage from the power leads which resulted in reduced cooling power. Our efforts to upgrade our ADR system are presented. We show the effect of using the HTS power leads and discuss a cascaded Carnot cycle consisting of 2 ADR units.

  10. Perspective: Stimulated Raman adiabatic passage: The status after 25 years

    NASA Astrophysics Data System (ADS)

    Bergmann, Klaas; Vitanov, Nikolay V.; Shore, Bruce W.

    2015-05-01

    The first presentation of the STIRAP (stimulated Raman adiabatic passage) technique with proper theoretical foundation and convincing experimental data appeared 25 years ago, in the May 1st, 1990 issue of The Journal of Chemical Physics. By now, the STIRAP concept has been successfully applied in many different fields of physics, chemistry, and beyond. In this article, we comment briefly on the initial motivation of the work, namely, the study of reaction dynamics of vibrationally excited small molecules, and how this initial idea led to the documented success. We proceed by providing a brief discussion of the physics of STIRAP and how the method was developed over the years, before discussing a few examples from the amazingly wide range of applications which STIRAP now enjoys, with the aim to stimulate further use of the concept. Finally, we mention some promising future directions.

  11. 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.

  12. Shortcut to Adiabaticity for an Anisotropic Gas Containing Quantum Defects

    NASA Astrophysics Data System (ADS)

    Papoular, D. J.; Stringari, S.

    2015-07-01

    We present a shortcut to adiabaticity (STA) protocol applicable to 3D unitary Fermi gases and 2D weakly interacting Bose gases containing defects such as vortices or solitons. Our protocol relies on a new class of exact scaling solutions in the presence of anisotropic time-dependent harmonic traps. It connects stationary states in initial and final traps having the same frequency ratios. The resulting scaling laws exhibit a universal form and also apply to the classical Boltzmann gas. The duration of the STA can be made very short so as to realize a quantum quench from one stationary state to another. When applied to an anisotropically trapped superfluid gas, the STA conserves the shape of the quantum defects hosted by the cloud, thereby acting like a perfect microscope, which sharply contrasts with their strong distortion occurring during the free expansion of the cloud.

  13. Adiabatic Hamiltonian deformation, linear response theory, and nonequilibrium molecular dynamics

    SciTech Connect

    Hoover, W.G.

    1980-05-28

    Although Hamiltonians of various kinds have previously been used to derive Green-Kubo relations for the transport coefficients, the particular choice described is uniquely related to thermodynamics. This nonequilibrium Hamiltonian formulation of fluid flow provides pedagogically simple routes to nonequilibrium fluxes and distribution functions, to theoretical understanding of long-time effects, and to new numerical methods for simulating systems far from equilibrium. The same methods are now being applied to solid-phase problems. At the relatively high frequencies used in the viscous fluid calculations described, solids typically behave elastically. Lower frequencies lead to the formation of dislocations and other defects, making it possible to study plastic flow. A property of the nonequilibrium equations of motion which might be profitably explored is their effective irreversibility. Because only a few particles are necessary to generate irreversible behavior, simulations using adiabatic deformations of the kind described here could perhaps elucidate the instability in the equations of motion responsible for irreversibility.

  14. Adiabatic quantum-flux-parametron cell library adopting minimalist design

    SciTech Connect

    Takeuchi, Naoki; Yamanashi, Yuki; Yoshikawa, Nobuyuki

    2015-05-07

    We herein build an adiabatic quantum-flux-parametron (AQFP) cell library adopting minimalist design and a symmetric layout. In the proposed minimalist design, every logic cell is designed by arraying four types of building block cells: buffer, NOT, constant, and branch cells. Therefore, minimalist design enables us to effectively build and customize an AQFP cell library. The symmetric layout reduces unwanted parasitic magnetic coupling and ensures a large mutual inductance in an output transformer, which enables very long wiring between logic cells. We design and fabricate several logic circuits using the minimal AQFP cell library so as to test logic cells in the library. Moreover, we experimentally investigate the maximum wiring length between logic cells. Finally, we present an experimental demonstration of an 8-bit carry look-ahead adder designed using the minimal AQFP cell library and demonstrate that the proposed cell library is sufficiently robust to realize large-scale digital circuits.

  15. Laser-nucleus interactions: The quasi-adiabatic regime

    NASA Astrophysics Data System (ADS)

    Pálffy, Adriana; Buss, Oliver; Hoefer, Axel; Weidenmüller, Hans A.

    2015-10-01

    The interaction between nuclei and a strong zeptosecond laser pulse with coherent MeV photons is investigated theoretically. We provide a first semiquantitative study of the quasi-adiabatic regime where the photon absorption rate is comparable to the nuclear equilibration rate. In that regime, multiple photon absorption leads to the formation of a compound nucleus in the so-far unexplored regime of excitation energies several hundred MeV above the yrast line. The temporal dynamics of the process is investigated by means of a set of master equations that account for dipole absorption, stimulated dipole emission, neutron decay, and induced fission in a chain of nuclei. That set is solved numerically by means of state-of-the-art matrix exponential methods also used in nuclear fuel burn-up and radioactivity transport calculations. Our quantitative estimates predict the excitation path and range of nuclei reached by neutron decay and provide relevant information for the layout of future experiments.

  16. Comments on adiabatic modifications to plasma turbulence theory

    SciTech Connect

    Krommes, J.A.

    1980-11-01

    Catto earlier introduced an interesting and plausible modification of the usual resonance-broadening prescription for obtaining the nonlinear dielectric function. He argued reasonably that one should employ that prescription only for the nonadiabatic response, and that one should treat the adiabatic response essentially exactly. However, Misguich, in a recent Comment on Catto's work, found an apparent divergence in a form for the renormalized dielectric which he argued was equivalent to Catto's. Misguich was thus led to conclude that, at least for stationary turbulence, Catto's form was suspect, and that a more intricate renormalization might have to be used to obtain a sensible, convergent result. It is argued that this conclusion is incorrect, at least for the reasons Misguich gives.

  17. Model of TPTC Stirling engine with adiabatic working spaces

    NASA Astrophysics Data System (ADS)

    Renfroe, D. A.; Counts, M.

    1988-10-01

    A Stirling engine incorporating a phase-changing component of the working fluid has been modeled with the assumption that the compression and expansion space are adiabatic, and that the heat exchanger consists of a cooler, regenerator, and heater of finite size where the fluid follows an idealized temperature profile. Differential equations for the rate of change of mass in any cell and pressure over the entire engine were derived from the energy, continuity, state equations, and Dalton's law. From the simultaneous solution of these equations, all of the information necessary for calculation of power output and efficiency were obtained. Comparison of the results from this model with previous studies shows that the advantage of adding a phase-changing component to the working fluid may have been overstated.

  18. Model of TPTC stirling engine with adiabatic working spaces

    SciTech Connect

    Renfroe, D.A.; Counts, M.

    1988-10-01

    A Stirling engine incorporating a phase-changing component of the working fluid has been modeled with the assumption that the compression and expansion space are adiabatic, and that the heat exchanger consists of a cooler, regenerator, and heater of finite size where the fluid follows an idealized temperature profile. Differential equations for the rate of change of mass in any cell and pressure over the entire engine were derived from the energy, continuity, state equations, and Dalton's law. From the simultaneous solution of these equations, all of the information necessary for calculation of power output and efficiency were obtained. Comparison of the results from this model with previous studies shows that the advantage of adding a phase-changing component to the working fluid may have been overstated.

  19. From Classical Nonlinear Integrable Systems to Quantum Shortcuts to Adiabaticity.

    PubMed

    Okuyama, Manaka; Takahashi, Kazutaka

    2016-08-12

    Using shortcuts to adiabaticity, we solve the time-dependent Schrödinger equation that is reduced to a classical nonlinear integrable equation. For a given time-dependent Hamiltonian, the counterdiabatic term is introduced to prevent nonadiabatic transitions. Using the fact that the equation for the dynamical invariant is equivalent to the Lax equation in nonlinear integrable systems, we obtain the counterdiabatic term exactly. The counterdiabatic term is available when the corresponding Lax pair exists and the solvable systems are classified in a unified and systematic way. Multisoliton potentials obtained from the Korteweg-de Vries equation and isotropic XY spin chains from the Toda equations are studied in detail. PMID:27563938

  20. 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.

  1. Shortcut to Adiabaticity for an Anisotropic Gas Containing Quantum Defects.

    PubMed

    Papoular, D J; Stringari, S

    2015-07-10

    We present a shortcut to adiabaticity (STA) protocol applicable to 3D unitary Fermi gases and 2D weakly interacting Bose gases containing defects such as vortices or solitons. Our protocol relies on a new class of exact scaling solutions in the presence of anisotropic time-dependent harmonic traps. It connects stationary states in initial and final traps having the same frequency ratios. The resulting scaling laws exhibit a universal form and also apply to the classical Boltzmann gas. The duration of the STA can be made very short so as to realize a quantum quench from one stationary state to another. When applied to an anisotropically trapped superfluid gas, the STA conserves the shape of the quantum defects hosted by the cloud, thereby acting like a perfect microscope, which sharply contrasts with their strong distortion occurring during the free expansion of the cloud. PMID:26207476

  2. Novel latch for adiabatic quantum-flux-parametron logic

    SciTech Connect

    Takeuchi, Naoki Yamanashi, Yuki; Yoshikawa, Nobuyuki; Ortlepp, Thomas

    2014-03-14

    We herein propose the quantum-flux-latch (QFL) as a novel latch for adiabatic quantum-flux-parametron (AQFP) logic. A QFL is very compact and compatible with AQFP logic gates and can be read out in one clock cycle. Simulation results revealed that the QFL operates at 5 GHz with wide parameter margins of more than ±22%. The calculated energy dissipation was only ∼0.1 aJ/bit, which yields a small energy delay product of 20 aJ·ps. We also designed shift registers using QFLs to demonstrate more complex circuits with QFLs. Finally, we experimentally demonstrated correct operations of the QFL and a 1-bit shift register (a D flip-flop)

  3. Pitch-angle scattering of energetic particles with adiabatic focusing

    SciTech Connect

    Tautz, R. C.; Shalchi, A.; Dosch, A. E-mail: andreasm4@yahoo.com

    2014-10-20

    Understanding turbulent transport of charged particles in magnetized plasmas often requires a model for the description of random variations in the particle's pitch angle. The Fokker-Planck coefficient of pitch-angle scattering, which is used to describe scattering parallel to the mean magnetic field, is therefore of central importance. Whereas quasi-linear theory assumes a homogeneous mean magnetic field, such a condition is often not fulfilled, especially for high-energy particles. Here, a new derivation of the quasi-linear approach is given that is based on the unperturbed orbit found for an adiabatically focused mean magnetic field. The results show that, depending on the ratio of the focusing length and the particle's Larmor radius, the Fokker-Planck coefficient is significantly modified but agrees with the classical expression in the limit of a homogeneous mean magnetic field.

  4. Stimulated Raman adiabatic passage in a three-level superconducting circuit

    NASA Astrophysics Data System (ADS)

    Kumar, K. S.; Vepsäläinen, A.; Danilin, S.; Paraoanu, G. S.

    2016-02-01

    The adiabatic manipulation of quantum states is a powerful technique that opened up new directions in quantum engineering--enabling tests of fundamental concepts such as geometrical phases and topological transitions, and holding the promise of alternative models of quantum computation. Here we benchmark the stimulated Raman adiabatic passage for circuit quantum electrodynamics by employing the first three levels of a transmon qubit. In this ladder configuration, we demonstrate a population transfer efficiency >80% between the ground state and the second excited state using two adiabatic Gaussian-shaped control microwave pulses. By doing quantum tomography at successive moments during the Raman pulses, we investigate the transfer of the population in time domain. Furthermore, we show that this protocol can be reversed by applying a third adiabatic pulse, we study a hybrid nondiabatic-adiabatic sequence, and we present experimental results for a quasi-degenerate intermediate level.

  5. Stimulated Raman adiabatic passage in a three-level superconducting circuit.

    PubMed

    Kumar, K S; Vepsäläinen, A; Danilin, S; Paraoanu, G S

    2016-01-01

    The adiabatic manipulation of quantum states is a powerful technique that opened up new directions in quantum engineering--enabling tests of fundamental concepts such as geometrical phases and topological transitions, and holding the promise of alternative models of quantum computation. Here we benchmark the stimulated Raman adiabatic passage for circuit quantum electrodynamics by employing the first three levels of a transmon qubit. In this ladder configuration, we demonstrate a population transfer efficiency >80% between the ground state and the second excited state using two adiabatic Gaussian-shaped control microwave pulses. By doing quantum tomography at successive moments during the Raman pulses, we investigate the transfer of the population in time domain. Furthermore, we show that this protocol can be reversed by applying a third adiabatic pulse, we study a hybrid nondiabatic-adiabatic sequence, and we present experimental results for a quasi-degenerate intermediate level. PMID:26902454

  6. Many-body effects on adiabatic passage through Feshbach resonances

    NASA Astrophysics Data System (ADS)

    Tikhonenkov, I.; Pazy, E.; Band, Y. B.; Fleischhauer, M.; Vardi, A.

    2006-04-01

    We theoretically study the dynamics of an adiabatic sweep through a Feshbach resonance, thereby converting a degenerate quantum gas of fermionic atoms into a degenerate quantum gas of bosonic dimers. Our analysis relies on a zero temperature mean-field theory which accurately accounts for initial molecular quantum fluctuations, triggering the association process. The structure of the resulting semiclassical phase space is investigated, highlighting the dynamical instability of the system towards association, for sufficiently small detuning from resonance. It is shown that this instability significantly modifies the finite-rate efficiency of the sweep, transforming the single-pair exponential Landau-Zener behavior of the remnant fraction of atoms Γ on sweep rate α , into a power-law dependence as the number of atoms increases. The obtained nonadiabaticity is determined from the interplay of characteristic time scales for the motion of adiabatic eigenstates and for fast periodic motion around them. Critical slowing-down of these precessions near the instability leads to the power-law dependence. A linear power law Γ∝α is obtained when the initial molecular fraction is smaller than the 1/N quantum fluctuations, and a cubic-root power law Γ∝α1/3 is attained when it is larger. Our mean-field analysis is confirmed by exact calculations, using Fock-space expansions. Finally, we fit experimental low temperature Feshbach sweep data with a power-law dependence. While the agreement with the experimental data is well within experimental error bars, similar accuracy can be obtained with an exponential fit, making additional data highly desirable.

  7. Many-body effects on adiabatic passage through Feshbach resonances

    SciTech Connect

    Tikhonenkov, I.; Pazy, E.; Band, Y. B.; Vardi, A.; Fleischhauer, M.

    2006-04-15

    We theoretically study the dynamics of an adiabatic sweep through a Feshbach resonance, thereby converting a degenerate quantum gas of fermionic atoms into a degenerate quantum gas of bosonic dimers. Our analysis relies on a zero temperature mean-field theory which accurately accounts for initial molecular quantum fluctuations, triggering the association process. The structure of the resulting semiclassical phase space is investigated, highlighting the dynamical instability of the system towards association, for sufficiently small detuning from resonance. It is shown that this instability significantly modifies the finite-rate efficiency of the sweep, transforming the single-pair exponential Landau-Zener behavior of the remnant fraction of atoms {gamma} on sweep rate {alpha}, into a power-law dependence as the number of atoms increases. The obtained nonadiabaticity is determined from the interplay of characteristic time scales for the motion of adiabatic eigenstates and for fast periodic motion around them. Critical slowing-down of these precessions near the instability leads to the power-law dependence. A linear power law {gamma}{proportional_to}{alpha} is obtained when the initial molecular fraction is smaller than the 1/N quantum fluctuations, and a cubic-root power law {gamma}{proportional_to}{alpha}{sup 1/3} is attained when it is larger. Our mean-field analysis is confirmed by exact calculations, using Fock-space expansions. Finally, we fit experimental low temperature Feshbach sweep data with a power-law dependence. While the agreement with the experimental data is well within experimental error bars, similar accuracy can be obtained with an exponential fit, making additional data highly desirable.

  8. 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.

  9. Adiabatic principles in atom-diatom collisional energy transfer

    SciTech Connect

    Hovingh, W.J.

    1993-01-01

    This work describes the application of numerical methods to the solution of the time dependent Schroedinger equation for non-reactive atom-diatom collisions in which only one of the degrees of freedom has been removed. The basic method involves expanding the wave function in a basis set in two of the diatomic coordinates in a body-fixed frame (with respect to the triatomic complex) and defining the coefficients in that expansion as functions on a grid in the collision coordinate. The wave function is then propagated in time using a split operator method. The bulk of this work is devoted to the application of this formalism to the study of internal rotational predissociation in NeHF, in which quasibound states of the triatom predissociate through the transfer of energy from rotation of the diatom into translational energy in the atom-diatom separation coordinate. The author analyzes the computed time dependent wave functions to calculate the lifetimes for several quasibound states; these are in agreement with time independent quantum calculations using the same potential. Moreover, the time dependent behavior of the wave functions themselves sheds light on the dynamics of the predissociation processes. Finally, the partial cross sections of the products in those processes is determined with multiple exit channels. These show strong selectivity in the orbital angular momentum of the outgoing fragments, which the author explains with an adiabatic channel interpretation of the wave function's dynamics. The author also suggests that the same formalism might profitably be used to investigate the quantum dynamics of [open quotes]quasiresonant vibration-rotation transfer[close quotes], in which remarkably strong propensity rules in certain inelastic atom-diatom collision arise from classical adiabatic invariance theory.

  10. Effective field theory and Ab-initio calculation of p-type (Ga, Fe)N within LDA and SIC approximation

    NASA Astrophysics Data System (ADS)

    Salmani, E.; Mounkachi, O.; Ez-Zahraouy, H.; El Kenz, A.; Hamedoun, M.; Benyoussef, A.

    2013-03-01

    Based on first-principles spin-density functional calculations, using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation, we investigated the half-metallic ferromagnetic behavior of (Ga, Fe)N co-doped with carbon within the self-interaction-corrected local density approximation. Mechanism of hybridization and interaction between magnetic ions in p-type (Ga, Fe)N is investigated. Stability energy of ferromagnetic and disorder local moment states was calculated for different carbon concentration. The local density and the self-interaction-corrected approximations have been used to explain the strong ferromagnetic interaction observed and the mechanism that stabilizes this state. The transition temperature to the ferromagnetic state has been calculated within the effective field theory, with a Honmura-Kaneyoshi differential operator technique.

  11. 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.

  12. 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.

  13. Extended adiabatic blast waves and a model of the soft X-ray background

    NASA Technical Reports Server (NTRS)

    Cox, D. P.; Anderson, P. R.

    1982-01-01

    The suggestion has been made that much of the soft X-ray background observed in X-ray astronomy might arise from being inside a very large supernova blast wave propagating in the hot, low-density component of the interstellar (ISM) medium. An investigation is conducted to study this possibility. An analytic approximation is presented for the nonsimilar time evolution of the dynamic structure of an adiabatic blast wave generated by a point explosion in a homogeneous ambient medium. A scheme is provided for evaluating the electron-temperature distribution for the evolving structure, and a procedure is presented for following the state of a given fluid element through the evolving dynamical and thermal structures. The results of the investigation show that, if the solar system were located within a blast wave, the Wisconsin soft X-ray rocket payload would measure the B and C band count rates that it does measure, provided conditions correspond to the values calculated in the investigation.

  14. Two-level system in spin baths: Non-adiabatic dynamics and heat transport

    SciTech Connect

    Segal, Dvira

    2014-04-28

    We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

  15. Asymptotic analysis of stationary adiabatic premixed flames in porous inert media

    SciTech Connect

    Pereira, Fernando M.; Oliveira, Amir A.M.; Fachini, Fernando F.

    2009-01-15

    The structure of adiabatic premixed flames within porous inert media is investigated using the asymptotic expansion method. For this, the flame structure is divided into three characteristic length scales. The two innermost length scales, the gas-phase diffusion length scale and the reaction length scale, are the same scales defined in the classical premixed flame structure analysis. The outermost length scale, the solid-phase diffusion length scale, is related to the heat conduction in the porous matrix. The differences among these three characteristic length-scales result in large temperature differences between the phases and justify the application of asymptotic expansions to determine an approximate (analytical) solution. Since the main focus of this work is the examination of the processes in the outer and the first inner regions, the simplest kinetic mechanism of one global step is adopted to represent the fuel and oxygen consumption. Then, the description of the reaction zone is obtained using the large activation energy asymptotic method. The description of the problem of the order of the gas-phase length scale is obtained using the boundary layer expansion. This work evaluates the influence of the equivalence ratio, the ratio of the solid to the gas thermal conductivities, the porosity of the medium and the fuel Lewis number on such flames. A parameter that universalizes the flame properties is then identified and discussed. (author)

  16. Asymptotic analysis of stationary adiabatic premixed flames in porous inert media

    SciTech Connect

    Pereira, Fernando M.; Oliveira, Amir A.M.; Fachini, Fernando F.

    2008-11-15

    The structure of adiabatic premixed flames within porous inert media is investigated using the asymptotic expansion method. For this, the flame structure is divided into three characteristic length scales. The two innermost length scales, the gas-phase diffusion length scale and the reaction length scale, are the same scales defined in the classical premixed flame structure analysis. The outermost length scale, the solid-phase diffusion length scale, is related to the heat conduction in the porous matrix. The differences among these three characteristic length-scales result in large temperature differences between the phases and justify the application of asymptotic expansions to determine an approximate (analytical) solution. Since the main focus of this work is the examination of the processes in the outer and the first inner regions, the simplest kinetic mechanism of one global step is adopted to represent the fuel and oxygen consumption. Then, the description of the reaction zone is obtained using the large activation energy asymptotic method. The description of the problem of the order of the gas-phase length scale is obtained using the boundary layer expansion. This work evaluates the influence of the equivalence ratio, the ratio of the solid to the gas thermal conductivities, the porosity of the medium and the fuel Lewis number on such flames. A parameter that universalizes the flame properties is then identified and discussed. (author)

  17. Communication: Random phase approximation renormalized many-body perturbation theory

    SciTech Connect

    Bates, Jefferson E.; Furche, Filipp

    2013-11-07

    We derive a renormalized many-body perturbation theory (MBPT) starting from the random phase approximation (RPA). This RPA-renormalized perturbation theory extends the scope of single-reference MBPT methods to small-gap systems without significantly increasing the computational cost. The leading correction to RPA, termed the approximate exchange kernel (AXK), substantially improves upon RPA atomization energies and ionization potentials without affecting other properties such as barrier heights where RPA is already accurate. Thus, AXK is more balanced than second-order screened exchange [A. Grüneis et al., J. Chem. Phys. 131, 154115 (2009)], which tends to overcorrect RPA for systems with stronger static correlation. Similarly, AXK avoids the divergence of second-order Møller-Plesset (MP2) theory for small gap systems and delivers a much more consistent performance than MP2 across the periodic table at comparable cost. RPA+AXK thus is an accurate, non-empirical, and robust tool to assess and improve semi-local density functional theory for a wide range of systems previously inaccessible to first-principles electronic structure calculations.

  18. Adiabat shape Laser Pulses for ablation front instability control and high fuel compression

    NASA Astrophysics Data System (ADS)

    Milovich, Jose; Jones, O. S.; Berzak-Hopkins, L.; Clark, D. S.; Baker, K. L.; Casey, D. T.; Macphee, A. G.; Peterson, J. L.; Robey, H. F.; Smalyuk, V. A.; Weber, C. R.

    2014-10-01

    At the end of the NIC campaign a large body of experimental evidence showed that the point-design implosions driven by low-adiabat pulses had a high degree of mix. To reduce instability a high-adiabat (~3 × higher picket drive) design was fielded in the National Ignition Facility (NIF). The experimental results from this campaign have shown considerable improvement in performance (10 × neutron yields) over the point design with little evidence of mix. However, the adiabat of the implosions may be too high to achieve ignition for the available laser energy. To overcome this difficulty, and to take advantage of the high-picket drives, we have developed hybrid laser pulses that combined the virtue of both designs. These pulses can be thought of achieving adiabat shaping, where the ablator is set in a higher adiabat for instability control, while the fuel is maintained at a lower adiabat favoring higher fuel compression. Using these pulses, recent experiments at the NIF have indeed shown reduced growth rates. In this talk we will present the design of high-yield low-growth DT ignition experiments using these adiabat-shaped pulses. Work performed under the auspices of the U.S. D.O.E. by LLNL under contract DE-AC52-07NA27344.

  19. 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

  20. Energy-Efficient and Secure S-Box circuit using Symmetric Pass Gate Adiabatic Logic

    SciTech Connect

    Kumar, Dinesh; Mohammad, Azhar; Singh, Vijay; Perumalla, Kalyan S

    2016-01-01

    Differential Power Analysis (DPA) attack is considered to be a main threat while designing cryptographic processors. In cryptographic algorithms like DES and AES, S-Box is used to indeterminate the relationship between the keys and the cipher texts. However, S-box is prone to DPA attack due to its high power consumption. In this paper, we are implementing an energy-efficient 8-bit S-Box circuit using our proposed Symmetric Pass Gate Adiabatic Logic (SPGAL). SPGAL is energy-efficient as compared to the existing DPAresistant adiabatic and non-adiabatic logic families. SPGAL is energy-efficient due to reduction of non-adiabatic loss during the evaluate phase of the outputs. Further, the S-Box circuit implemented using SPGAL is resistant to DPA attacks. The results are verified through SPICE simulations in 180nm technology. SPICE simulations show that the SPGAL based S-Box circuit saves upto 92% and 67% of energy as compared to the conventional CMOS and Secured Quasi-Adiabatic Logic (SQAL) based S-Box circuit. From the simulation results, it is evident that the SPGAL based circuits are energy-efficient as compared to the existing DPAresistant adiabatic and non-adiabatic logic families. In nutshell, SPGAL based gates can be used to build secure hardware for lowpower portable electronic devices and Internet-of-Things (IoT) based electronic devices.

  1. Recent developments in trapping and manipulation of atoms with adiabatic potentials

    NASA Astrophysics Data System (ADS)

    Garraway, Barry M.; Perrin, Hélène

    2016-09-01

    A combination of static and oscillating magnetic fields can be used to ‘dress’ atoms with radio-frequency (RF), or microwave, radiation. The spatial variation of these fields can be used to create an enormous variety of traps for ultra-cold atoms and quantum gases. This article reviews the type and character of these adiabatic traps and the applications which include atom interferometry and the study of low-dimensional quantum systems. We introduce the main concepts of magnetic traps leading to adiabatic dressed traps. The concept of adiabaticity is discussed in the context of the Landau-Zener model. The first bubble trap experiment is reviewed together with the method used for loading it. Experiments based on atom chips show the production of double wells and ring traps. Dressed atom traps can be evaporatively cooled with an additional RF field, and a weak RF field can be used to probe the spectroscopy of the adiabatic potentials. Several approaches to ring traps formed from adiabatic potentials are discussed, including those based on atom chips, time-averaged adiabatic potentials and induction methods. Several proposals for adiabatic lattices with dressed atoms are also reviewed.

  2. Systematic investigations of deep sub-barrier fusion reactions using an adiabatic approach

    NASA Astrophysics Data System (ADS)

    Ichikawa, Takatoshi

    2015-12-01

    Background: At extremely low incident energies, unexpected decreases in fusion cross sections, compared to the standard coupled-channels (CC) calculations, have been observed in a wide range of fusion reactions. These significant reductions of the fusion cross sections are often referred to as the fusion hindrance. However, the physical origin of the fusion hindrance is still unclear. Purpose: To describe the fusion hindrance based on an adiabatic approach, I propose a novel extension of the standard CC model by introducing a damping factor that describes a smooth transition from sudden to adiabatic processes, that is, the transition from the separated two-body to the united dinuclear system. I demonstrate the performance of this model by systematically investigating various deep sub-barrier fusion reactions. Method: I extend the standard CC model by introducing a damping factor into the coupling matrix elements in the standard CC model. This avoids double counting of the CC effects, when two colliding nuclei overlap one another. I adopt the Yukawa-plus-exponential (YPE) model as a basic heavy ion-ion potential, which is advantageous for a unified description of the one- and two-body potentials. For the purpose of these systematic investigations, I approximate the one-body potential with a third-order polynomial function based on the YPE model. Results: Calculated fusion cross sections for the medium-heavy mass systems of 64Ni+64Ni , 58Ni+58Ni , and 58Ni+54Fe , the medium-light mass systems of 40Ca+40Ca , 48Ca+48Ca , and 24Mg+30Si , and the mass-asymmetric systems of 48Ca+96Zr and 16O+208Pb are consistent with the experimental data. The astrophysical S factor and logarithmic derivative representations of these are also in good agreement with the experimental data. The values obtained for the individual radius and diffuseness parameters in the damping factor, which reproduce the fusion cross sections well, are nearly equal to the average value for all the systems

  3. Coherent states, quantum gravity, and the Born-Oppenheimer approximation. I. General considerations

    NASA Astrophysics Data System (ADS)

    Stottmeister, Alexander; Thiemann, Thomas

    2016-06-01

    This article, as the first of three, aims at establishing the (time-dependent) Born-Oppenheimer approximation, in the sense of space adiabatic perturbation theory, for quantum systems constructed by techniques of the loop quantum gravity framework, especially the canonical formulation of the latter. The analysis presented here fits into a rather general framework and offers a solution to the problem of applying the usual Born-Oppenheimer ansatz for molecular (or structurally analogous) systems to more general quantum systems (e.g., spin-orbit models) by means of space adiabatic perturbation theory. The proposed solution is applied to a simple, finite dimensional model of interacting spin systems, which serves as a non-trivial, minimal model of the aforesaid problem. Furthermore, it is explained how the content of this article and its companion affect the possible extraction of quantum field theory on curved spacetime from loop quantum gravity (including matter fields).

  4. Conical Intersections Between Vibrationally Adiabatic Surfaces in Methanol

    NASA Astrophysics Data System (ADS)

    Dawadi, Mahesh B.; Perry, David S.

    2014-06-01

    The discovery of a set of seven conical intersections (CI's) between vibrationally adiabatic surfaces in methanol is reported. The intersecting surfaces represent the energies of the two asymmetric CH stretch vibrations, νb{2} and νb{9}, regarded as adiabatic functions of the torsional angle, γ, and COH bend angle, ρ. One conical intersection, required by symmetry, is located at the C3v geometry where the COH group is linear (ρ = 0°); the other six are in eclipsed conformations with ρ = 62° and 94°. The three CI's at ρ = 62° are close to the equilibrium geometry (ρ = 71.4°), within the zero-point amplitude of the COH bending vibration. CI's between electronic surfaces have long been recognized as crucial conduits for ultrafast relaxation, and recently Hamm, and Stock have shown that vibrational CI's may also provide a mechanism for ultrafast vibrational relaxation. The ab initio data reported here are well described by an extended Zwanziger and Grant model for E ⊗ e Jahn-Teller systems in which Renner-Teller coupling is also active. However, in the present case, the distortion ρ from C3v symmetry is much larger than is typical in the Jahn-Teller coupling of electronic surfaces and accordingly higher-order terms in ρ are required. The present results are also consistent with the two-state model of Xu et al. The cusp-like features, which they found along the internal-rotation path, are explained in the context of the present work in terms of proximity to the CI's. The presence of multiple CI's near the torsional minimum energy path impacts the role of geometric phase in this three-fold internal-rotor system. When the dimensionality of the low-frequency space is extended to include the CO bond length as well as γ and ρ, the individual CI's become seams of CI's. It is shown that the CI's at ρ = 62° and 94° lie along the same seam of CI's in this higher dimensional space. P. Hamm and G. Stock, Phys. Rev. Lett., 109, 173201, (2012) P. Hamm, and G

  5. Design of indirectly driven, high-compression Inertial Confinement Fusion implosions with improved hydrodynamic stability using a 4-shock adiabat-shaped drive

    NASA Astrophysics Data System (ADS)

    Milovich, J. L.; Robey, H. F.; Clark, D. S.; Baker, K. L.; Casey, D. T.; Cerjan, C.; Field, J.; MacPhee, A. G.; Pak, A.; Patel, P. K.; Peterson, J. L.; Smalyuk, V. A.; Weber, C. R.

    2015-12-01

    Experimental results from indirectly driven ignition implosions during the National Ignition Campaign (NIC) [M. J. Edwards et al., Phys. Plasmas 20, 070501 (2013)] achieved a record compression of the central deuterium-tritium fuel layer with measured areal densities up to 1.2 g/cm2, but with significantly lower total neutron yields (between 1.5 × 1014 and 5.5 × 1014) than predicted, approximately 10% of the 2D simulated yield. An order of magnitude improvement in the neutron yield was subsequently obtained in the "high-foot" experiments [O. A. Hurricane et al., Nature 506, 343 (2014)]. However, this yield was obtained at the expense of fuel compression due to deliberately higher fuel adiabat. In this paper, the design of an adiabat-shaped implosion is presented, in which the laser pulse is tailored to achieve similar resistance to ablation-front instability growth, but with a low fuel adiabat to achieve high compression. Comparison with measured performance shows a factor of 3-10× improvement in the neutron yield (>40% of predicted simulated yield) over similar NIC implosions, while maintaining a reasonable fuel compression of >1 g/cm2. Extension of these designs to higher laser power and energy is discussed to further explore the trade-off between increased implosion velocity and the deleterious effects of hydrodynamic instabilities.

  6. Design of indirectly driven, high-compression Inertial Confinement Fusion implosions with improved hydrodynamic stability using a 4-shock adiabat-shaped drive

    SciTech Connect

    Milovich, J. L. Robey, H. F.; Clark, D. S.; Baker, K. L.; Casey, D. T.; Cerjan, C.; Field, J.; MacPhee, A. G.; Pak, A.; Patel, P. K.; Peterson, J. L.; Smalyuk, V. A.; Weber, C. R.

    2015-12-15

    Experimental results from indirectly driven ignition implosions during the National Ignition Campaign (NIC) [M. J. Edwards et al., Phys. Plasmas 20, 070501 (2013)] achieved a record compression of the central deuterium-tritium fuel layer with measured areal densities up to 1.2 g/cm{sup 2}, but with significantly lower total neutron yields (between 1.5 × 10{sup 14} and 5.5 × 10{sup 14}) than predicted, approximately 10% of the 2D simulated yield. An order of magnitude improvement in the neutron yield was subsequently obtained in the “high-foot” experiments [O. A. Hurricane et al., Nature 506, 343 (2014)]. However, this yield was obtained at the expense of fuel compression due to deliberately higher fuel adiabat. In this paper, the design of an adiabat-shaped implosion is presented, in which the laser pulse is tailored to achieve similar resistance to ablation-front instability growth, but with a low fuel adiabat to achieve high compression. Comparison with measured performance shows a factor of 3–10× improvement in the neutron yield (>40% of predicted simulated yield) over similar NIC implosions, while maintaining a reasonable fuel compression of >1 g/cm{sup 2}. Extension of these designs to higher laser power and energy is discussed to further explore the trade-off between increased implosion velocity and the deleterious effects of hydrodynamic instabilities.

  7. Solitary shock waves and adiabatic phase transition in lipid interfaces and nerves

    NASA Astrophysics Data System (ADS)

    Shrivastava, Shamit; Kang, Kevin Heeyong; Schneider, Matthias F.

    2015-01-01

    This study shows that the stability of solitary waves excited in a lipid monolayer near a phase transition requires positive curvature of the adiabats, a known necessary condition in shock compression science. It is further shown that the condition results in a threshold for excitation, saturation of the wave's amplitude, and the splitting of the wave at the phase boundaries. Splitting in particular confirms that a hydrated lipid interface can undergo condensation on adiabatic heating, thus showing retrograde behavior. Finally, using the theoretical insights and state dependence of conduction velocity in nerves, the curvature of the adiabatic state diagram is shown to be closely tied to the thermodynamic blockage of nerve pulse propagation.

  8. Coherent tunneling by adiabatic process in a four-waveguide optical coupler

    NASA Astrophysics Data System (ADS)

    Shi, Jian; Ma, Rui-Qiong; Duan, Zuo-Liang; Liang, Meng; Zhang, Wen-wen; Dong, Jun

    2016-07-01

    We numerically simulate Schrödinger-like paraxial wave equation of a four-waveguide system. The coherent tunneling by adiabatic passage in a four-waveguide optical coupler is analyzed by borrowing the dressed state theory of coherent atom system. We discuss the optical coupling mechanism and coupling efficiency of light energy in both intuitive and counterintuitive tunneling schemes and analyze the threshold condition from adiabatic to non-adiabatic regimes in intuitive scheme. The results show that this coupler can be used as power splitter under certain conditions.

  9. Solitary shock waves and adiabatic phase transition in lipid interfaces and nerves.

    PubMed

    Shrivastava, Shamit; Kang, Kevin Heeyong; Schneider, Matthias F

    2015-01-01

    This study shows that the stability of solitary waves excited in a lipid monolayer near a phase transition requires positive curvature of the adiabats, a known necessary condition in shock compression science. It is further shown that the condition results in a threshold for excitation, saturation of the wave's amplitude, and the splitting of the wave at the phase boundaries. Splitting in particular confirms that a hydrated lipid interface can undergo condensation on adiabatic heating, thus showing retrograde behavior. Finally, using the theoretical insights and state dependence of conduction velocity in nerves, the curvature of the adiabatic state diagram is shown to be closely tied to the thermodynamic blockage of nerve pulse propagation.

  10. Analysis of hyperspherical adiabatic curves of helium: A classical dynamics study

    NASA Astrophysics Data System (ADS)

    Simonović, N. S.; Solov'ev, E. A.

    2013-05-01

    The hyperspherical adiabatic curves (adiabatic eigenenergies as functions of the hyperradius R) of helium for zero total angular momentum are analyzed by studying the underlying classical dynamics which in the adiabatic treatment reduces to constrained two-electron motion on a hypersphere. This dynamics supports five characteristic classical configurations which can be represented by five types of short periodic orbits: the frozen planet (FP), the inverted frozen planet (IFP), the asymmetric stretch (AS), the asynchronous (ASC), and the Langmuir periodic orbit (PO). These POs are considered as fundamental modes of the two-electron motion on a hypersphere which, after quantization, give five families of so-called adiabatic lines (adiabatic energies related to these POs as functions of R). It is found that multiplets, each of them consisting of adiabatic curves which converge to the same ionization threshold, are at large values of R delimited from the bottom and from the top by the adiabatic lines which are related to the IFP and stable AS POs and to the FP PO, respectively. At smaller values of R, where the AS PO becomes unstable, the curves move to the area between the ASC (bottom) and AS (top) lines by crossing the latter. Therefore, at different values of R the lower limiting line of the multiplet is related to the three types of PO (IFP, AS, and ASC), which are all stable in the negative-energy part of this line. As a consequence, the quantum states of helium in principle are not related individually to a single classical configuration on the hypersphere. In addition, it is demonstrated that “unstable parts” of adiabatic lines (the so-called diabatic curves) determine the positions and type of avoided and hidden crossings between hyperspherical adiabatic curves. Two clearly visible classes of avoided crossings are related to the AS and ASC POs. In addition, a number of avoided crossings of the adiabatic curves is observed at the positions where the

  11. Adiabatic two-photon quantum gate operations using a long-range photonic bus

    NASA Astrophysics Data System (ADS)

    Hope, Anthony P.; Nguyen, Thach G.; Mitchell, Arnan; Greentree, Andrew D.

    2015-03-01

    Adiabatic techniques have much potential to realize practical and robust optical waveguide devices. Traditionally, photonic elements are limited to coupling schemes that rely on proximity to nearest neighbour elements. We combine adiabatic passage with a continuum based long-range optical bus to break free from such topological restraints and thereby outline a new approach to photonic quantum gate design. We explicitly show designs for adiabatic quantum gates that produce a Hadamard, 50:50 and 1/3:2/3 beam splitter, and non-deterministic controlled NOT gate based on planar thin, shallow ridge waveguides. Our calculations are performed under conditions of one and two-photon inputs.

  12. Arbitrary Amplitude DIA and DA Solitary Waves in Adiabatic Dusty Plasmas

    SciTech Connect

    Mamun, A. A.; Jahan, N.; Shukla, P. K.

    2008-10-15

    The dust-ion-acoustic (DIA) as well as the dust-acoustic (DA) solitary waves (SWs) in an adiabatic dusty plasma are investigated by the pseudo-potential approach which is valid for arbitrary amplitude SWs. The role of the adiabaticity of electrons and ions in modifying the basic features (polarity, speed, amplitude and width) of arbitrary amplitude DIA and DA SWs are explicitly examined. It is found that the effects of the adiabaticity of electrons and ions significantly modify the basic features (polarity, speed, amplitude and width) of the DIA and DA SWs. The implications of our results in space and laboratory dusty plasmas are briefly discussed.

  13. Phenomenological applications of rational approximants

    NASA Astrophysics Data System (ADS)

    Gonzàlez-Solís, Sergi; Masjuan, Pere

    2016-08-01

    We illustrate the powerfulness of Padé approximants (PAs) as a summation method and explore one of their extensions, the so-called quadratic approximant (QAs), to access both space- and (low-energy) time-like (TL) regions. As an introductory and pedagogical exercise, the function 1 zln(1 + z) is approximated by both kind of approximants. Then, PAs are applied to predict pseudoscalar meson Dalitz decays and to extract Vub from the semileptonic B → πℓνℓ decays. Finally, the π vector form factor in the TL region is explored using QAs.

  14. Resonances in the photodissociation of OH by absorption into coupled 2Π states: Adiabatic and diabatic formulations

    NASA Astrophysics Data System (ADS)

    van Dishoeck, Ewine F.; van Hemert, Marc C.; Allison, A. C.; Dalgarno, A.

    1984-12-01

    The bound 3 2Π and repulsive 2 2Π states of OH are strongly coupled by the action of the nuclear kinetic energy operator. The process of photodissociation by absorption into the coupled 2Π states is studied theoretically. The adiabatic electronic eigenfunctions and potential energy curves of the 2 2Π and 3 2Π states are calculated using large configuration-interaction (CI) representations and the nuclear radial coupling matrix elements are obtained by numerical differentiation. The coupled equations for the nuclear wave functions of the two states are set up in an adiabatic and in a diabatic formulation and are solved by numerical integration. The electric dipole transition moments connecting the ground X 2Π state to the 2 2Π and 3 2Π states are computed from the CI wave functions and the resulting photodissociation cross sections of OH arising from absorption into the coupled 2 2Π and 3 2Π states are obtained. Two alternative sets of potential curves, coupling matrix elements, and transition moments are employed to provide an assessment of the accuracy of the results. The photodissociation cross section shows a series of resonances superimposed on a broad continuous background. The resonances are located near to the vibrational levels of the uncoupled bound diabatic potential curve. They have asymmetric Beutler-Fano profiles and vary in width from 50 cm-1 for the lowest levels to 2 cm-1 for the higher levels. The accuracy of adiabatic and diabatic approximations, carried to first order in the coupling, is explored and it is demonstrated that the diabatic approximation provides a more satisfactory representation of the photodissociation process. The discrete-continuum configuration interaction theory of Fano is applied in the diabatic formulation and the resonance structures are calculated. The discrete-continuum interaction theory yields profile parameters and level shifts which agree well with the accurate values obtained by solving the coupled

  15. 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.

  16. Flammability zone prediction using calculated adiabatic flame temperatures

    SciTech Connect

    Mashuga, C.V.; Crowl, D.A.

    1999-11-01

    This paper describes work to predict the flammability zone for any mixture of fuel, oxygen and nitrogen. The method utilizes a commercially available equilibrium program to determine the calculated adiabatic flame temperature (CAFT). The model is compared with extensive experimental data obtained in a 20 L sphere at an initial pressure of 1 atm and 298 K. The data and model compare well over the entire flammability zone for two pure species, methane and ethylene, and not as well for a 50/50 mixture of methane/ethylene. Results show that a good prediction of the flammability zone is obtained using a CAFT criterion of 1200 K. Furthermore, the intermediate species and solid carbon must be included in the equilibrium calculation to fit the fuel rich part of the zone. The intermediate species were selected by the equilibrium program using a built-in species selection criteria. For a gas mixture of methane and ethylene, the authors were unable to identify mixing rules for estimating K{sub G} and P{sub max} from pure component data. This method provides a direct approach to full flammability zone prediction.

  17. Adiabatic quantum pump in a zigzag graphene nanoribbon junction

    NASA Astrophysics Data System (ADS)

    Zhang, Lin

    2015-11-01

    The adiabatic electron transport is theoretically studied in a zigzag graphene nanoribbon (ZGNR) junction with two time-dependent pumping electric fields. By modeling a ZGNR p-n junction and applying the Keldysh Green’s function method, we find that a pumped charge current is flowing in the device at a zero external bias, which mainly comes from the photon-assisted tunneling process and the valley selection rule in an even-chain ZGNR junction. The pumped charge current and its ON and OFF states can be efficiently modulated by changing the system parameters such as the pumping frequency, the pumping phase difference, and the Fermi level. A ferromagnetic ZGNR device is also studied to generate a pure spin current and a fully polarized spin current due to the combined spin pump effect and the valley valve effect. Our finding might pave the way to manipulate the degree of freedom of electrons in a graphene-based electronic device. Project supported by the National Natural Science Foundation of China (Grant No. 110704033), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK2010416), and the Natural Science Foundation for Colleges and Universities in Jiangsu Province, China (Grant No. 13KJB140005).

  18. Adiabatic demagnetization refrigerator for use in zero gravity

    NASA Technical Reports Server (NTRS)

    Dingus, Michael L.

    1988-01-01

    In this effort, a new design concept for an adiabatic demagnetization refrigerator (ADR) that is capable of operation in zero gravity has been developed. The design uses a vortex precooler to lower the initial temperature of magnetic salt from the initial space superfluid helium dewar of 1.8 K to 1.1 K. This reduces the required maximum magnetic field from 4 Tesla to 2 Tesla. The laboratory prototype vortex precooler reached a minimum temperature of 0.78 K, and had a cooling power of 1 mW at 1.1 K. A study was conducted to determine the dependence of vortex cooler performance on system element configuration. A superfluid filled capillary heat switch was used in the design. The laboratory prototype ADR reached a minimum temperature of 0.107 K, and maintained temperatures below 0.125 K for 90 minutes. Demagnetization was carried out from a maximum field of 2 T. A soft iron shield was developed that reduced the radial central field to 1 gauss at 0.25 meters.

  19. Random Matrix Approach to Quantum Adiabatic Evolution Algorithms

    NASA Technical Reports Server (NTRS)

    Boulatov, Alexei; Smelyanskiy, Vadier N.

    2004-01-01

    We analyze the power of quantum adiabatic evolution algorithms (Q-QA) for solving random NP-hard optimization problems within a theoretical framework based on the random matrix theory (RMT). We present two types of the driven RMT models. In the first model, the driving Hamiltonian is represented by Brownian motion in the matrix space. We use the Brownian motion model to obtain a description of multiple avoided crossing phenomena. We show that the failure mechanism of the QAA is due to the interaction of the ground state with the "cloud" formed by all the excited states, confirming that in the driven RMT models. the Landau-Zener mechanism of dissipation is not important. We show that the QAEA has a finite probability of success in a certain range of parameters. implying the polynomial complexity of the algorithm. The second model corresponds to the standard QAEA with the problem Hamiltonian taken from the Gaussian Unitary RMT ensemble (GUE). We show that the level dynamics in this model can be mapped onto the dynamics in the Brownian motion model. However, the driven RMT model always leads to the exponential complexity of the algorithm due to the presence of the long-range intertemporal correlations of the eigenvalues. Our results indicate that the weakness of effective transitions is the leading effect that can make the Markovian type QAEA successful.

  20. Decoherence in current induced forces: Application to adiabatic quantum motors

    NASA Astrophysics Data System (ADS)

    Fernández-Alcázar, Lucas J.; Bustos-Marún, Raúl A.; Pastawski, Horacio M.

    2015-08-01

    Current induced forces are not only related with the discrete nature of electrons but also with its quantum character. It is natural then to wonder about the effect of decoherence. Here, we develop the theory of current induced forces including dephasing processes and we apply it to study adiabatic quantum motors (AQMs). The theory is based on Büttiker's fictitious probe model, which here is reformulated for this particular case. We prove that it accomplishes the fluctuation-dissipation theorem. We also show that, in spite of decoherence, the total work performed by the current induced forces remains equal to the pumped charge per cycle times the voltage. We find that decoherence affects not only the current induced forces of the system but also its intrinsic friction and noise, modifying in a nontrivial way the efficiency of AQMs. We apply the theory to study an AQM inspired by a classical peristaltic pump where we surprisingly find that decoherence can play a crucial role by triggering its operation. Our results can help to understand how environmentally induced dephasing affects the quantum behavior of nanomechanical devices.