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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 for a perturbative equation of state

    SciTech Connect

    Astrakharchik, G. E.

    2005-12-15

    Knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic 'perturbative' equation of state of a homogeneous ultracold gas we make predictions for the properties of the gas in the presence of harmonic confinement. The local density approximation is used to obtain the chemical potential, total and release energies, Thomas-Fermi size, and density profile of a trapped system in three-, two-, and one-dimensional geometries. The frequencies of the lowest breathing modes are calculated using scaling and sum-rule approaches and could be used in an experiment as a high-precision tool for obtaining the expansion terms of the equation of state. The derived formalism is applied to dilute Bose and Fermi gases in different dimensions and to integrable one-dimensional models. The physical meaning of the expansion terms in a number of systems is discussed.

  3. Dynamical exchange-correlation potentials beyond the local density approximation

    NASA Astrophysics Data System (ADS)

    Tao, Jianmin; Vignale, Giovanni

    2006-03-01

    Approximations for the static exchange-correlation (xc) potential of density functional theory (DFT) have reached a high level of sophistication. By contrast, time-dependent xc potentials are still being treated in a local (although velocity-dependent) approximation [G. Vignale, C. A. Ullrich and S. Conti, PRL 79, 4879 (1997)]. Unfortunately, one of the assumptions upon which the dynamical local approximation is based appears to break down in the important case of d.c. transport. Here we propose a new approximation scheme, which should allow a more accurate treatment of molecular transport problems. As a first step, we separate the exact adiabatic xc potential, which has the same form as in the static theory and can be treated by a generalized gradient approximation (GGA) or a meta-GGA. In the second step, we express the high-frequency limit of the xc stress tensor (whose divergence gives the xc force density) in terms of the exact static xc energy functional. Finally, we develop a perturbative scheme for the calculation of the frequency dependence of the xc stress tensor in terms of the ground-state Kohn-Sham orbitals and eigenvalues.

  4. Local density approximation in site-occupation embedding theory

    NASA Astrophysics Data System (ADS)

    Senjean, Bruno; Tsuchiizu, Masahisa; Robert, Vincent; Fromager, Emmanuel

    2017-01-01

    Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory is presented here for the Hubbard Hamiltonian. In contrast to conventional DFT approaches, the site (or orbital) occupations are deduced in SOET from a partially-interacting system consisting of one (or more) impurity site(s) and non-interacting bath sites. The correlation energy of the bath is then treated implicitly by means of a site-occupation functional. In this work, we propose a simple impurity-occupation functional approximation based on the two-level (2L) Hubbard model which is referred to as two-level impurity local density approximation (2L-ILDA). Results obtained on a prototypical uniform 8-site Hubbard ring are promising. The extension of the method to larger systems and more sophisticated model Hamiltonians is currently in progress.

  5. First-principles local density approximation + U and generalized gradient approximation + U study of plutonium oxides.

    PubMed

    Sun, Bo; Zhang, Ping; Zhao, Xian-Geng

    2008-02-28

    The electronic structure and properties of PuO2 and Pu2O3 have been studied from first principles by the all-electron projector-augmented-wave method. The local density approximation+U and the generalized gradient approximation+U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by the choice of U as well as the choice of exchange-correlation potential. Also, oxidation reaction of Pu2O3, leading to formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U, it is promising to correctly and consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modeling of redox process involving Pu-based materials possible.

  6. Self-consistent-field calculations of atoms and ions using a modified local-density approximation

    SciTech Connect

    Liberman, D.A.; Albritton, J.R.; Wilson, B.G.; Alley, W.E. )

    1994-07-01

    Local-density-approximation calculations of atomic structure are useful for the description of atoms and ions in plasmas. The large number of different atomic configurations that exist in typical plasmas leads one to consider the expression of total energies in terms of a Taylor series in the orbital occupation numbers. Two schemes for computing the second derivative Taylor-series coefficients are given; the second, and better one, uses the linear response method developed by Zangwill and Soven [Phys. Rev. A 21, 1561 (1980)] for the calculation of optical response in atoms. A defect in the local-density approximation causes some second derivatives involving Rydberg orbitals to be infinite. This is corrected by using a modified local-density approximation that had previously been proposed [Phys. Rev. B 2, 244 (1970)].

  7. 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.

  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. 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.

  11. 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.

  12. Cohesion and promotion energies in the transition metals: Implications of the local-density approximation

    NASA Astrophysics Data System (ADS)

    Watson, R. E.; Fernando, G. W.; Weinert, M.; Wang, Y. J.; Davenport, J. W.

    1991-04-01

    The accuracy of the local-density (LDA) or local-spin-density (LSDA) approximations when applied to transition metals is of great concern. Estimates of the cohesive energy compare the total energy of the solid with that of the free atom. This involves chosing the reference state of the free atom which, as a rule, will not be the free atom's ground state in LDA or LSDA. Comparing one reference state versus another, e.g., the dn-1s vs dn-2s2 for a transition metal, corresponds to calculating an s-d promotion energy Δ, which may be compared with experiment. Gunnarsson and Jones (GJ) [Phys. Rev. B 31, 7588 (1985)] found for the 3d row that the calculated Δ displayed systematic errors which they attributed to a difference in error within the LSDA in the treatment of the coupling of the outer-core electrons with the d versus non-d valence electrons. This study has been extended to relativistic calculations for the 3d, 4d, and 5d rows and for other promotions. The situation is more complicated than suggested by GJ, and its implications for cohesive energy estimates will be discussed.

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

    DOE PAGES

    Stetcu, I.; Bertulani, C. A.; Bulgac, A.; ...

    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

  14. Adiabatic approximation via hodograph translation and zero-curvature equations

    NASA Astrophysics Data System (ADS)

    Karasev, M. V.

    2014-04-01

    For quantum as well classical slow-fast systems, we develop a general method which allows one to compute the adiabatic invariant (approximate integral of motion), its symmetries, the adiabatic guiding center coordinates and the effective scalar Hamiltonian in all orders of a small parameter. The scheme does not exploit eigenvectors or diagonalization, but is based on the ideas of isospectral deformation and zero-curvature equations, where the role of "time" is played by the adiabatic (quantization) parameter. The algorithm includes the construction of the zero-curvature adiabatic connection and its splitting generated by averaging up to an arbitrary order in the small parameter.

  15. Attosecond time delay in valence photoionization and photorecombination of argon: A time-dependent local-density-approximation study

    NASA Astrophysics Data System (ADS)

    Magrakvelidze, Maia; Madjet, Mohamed El-Amine; Dixit, Gopal; Ivanov, Misha; Chakraborty, Himadri S.

    2015-06-01

    We determine and analyze the quantum phases and time delays in photoionization and photorecombination of valence 3 p and 3 s electrons of argon using the Kohn-Sham local-density-functional approach. The time-dependent local-density approximation is used to account for the electron correlation. Resulting attosecond Wigner-Smith time delays show very good agreement with the recent experiment on argon that measured the delay in 3 p photorecombination [S. B. Schoun et al., Phys. Rev. Lett. 112, 153002 (2014), 10.1103/PhysRevLett.112.153002].

  16. Adiabatic approximation and fluctuations in exciton-polariton condensates

    NASA Astrophysics Data System (ADS)

    Bobrovska, Nataliya; Matuszewski, Michał

    2015-07-01

    We study the relation between the models commonly used to describe the dynamics of nonresonantly pumped exciton-polariton condensates, namely the ones described by the complex Ginzburg-Landau equation, and by the open-dissipative Gross-Pitaevskii equation including a separate equation for the reservoir density. In particular, we focus on the validity of the adiabatic approximation and small density fluctuations approximation that allow one to reduce the coupled condensate-reservoir dynamics to a single partial differential equation. We find that the adiabatic approximation consists of three independent analytical conditions that have to be fulfilled simultaneously. By investigating stochastic versions of the two corresponding models, we verify that the breakdown of these approximations can lead to discrepancies in correlation lengths and distributions of fluctuations. Additionally, we consider the phase diffusion and number fluctuations of a condensate in a box, and show that self-consistent description requires treatment beyond the typical Bogoliubov approximation.

  17. Comparison between the vorticity expansion approximation and the local density approximation of the current-density functional theory from the viewpoint of sum rules.

    PubMed

    Higuchi, K; Higuchi, M

    2007-09-12

    We compare the vorticity expansion approximation (VEA) with the local density approximation (LDA) of the current-density functional theory from the viewpoint of sum rules. The VEA formulae satisfy all sum rules which are derived from uniform and nonuniform coordinate scaling properties, while the LDA formulae do not satisfy at least about a third of the sum rules. The validity of the VEA formula is thus confirmed successfully.

  18. Density Functional Theory for Excited States in a Quasi Local Density Approximation.

    DTIC Science & Technology

    1986-02-10

    In the present note we develop a quasi-local approximation for M Exc, closely related to the LDA for thermal ensembles. As shown by Theophllou4 ), the...the equt-ensemble and corresponding KS ensemble are equal, S. However, the relations between entropy and temperature are different for interacting...and C() Ss(e) - T de’ (non-interacting) (18) 0 * .*.’ . with unequal heat capacities C and Cs. In general, referring to the tableau, S and 6 are related

  19. 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; ...

    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

  20. 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.

  1. Adiabatic approximation for the Rabi model with broken inversion symmetry

    NASA Astrophysics Data System (ADS)

    Shen, Li-Tuo; Yang, Zhen-Biao; Wu, Huai-Zhi

    2017-01-01

    We study the properties and behavior of the Rabi model with broken inversion symmetry. Using an adiabatic approximation approach, we explore the high-frequency qubit and oscillator regimes, and obtain analytical solutions for the qubit-oscillator system. We demonstrate that, due to broken inversion symmetry, the positions of two potentials and zero-point energies in the oscillators become asymmetric and have a quadratic dependence on the mean dipole moments within the high-frequency oscillator regime. Furthermore, we find that there is a critical point above which the qubit-oscillator system becomes unstable, and the position of this critical point has a quadratic dependence on the mean dipole moments within the high-frequency qubit regime. Finally, we verify this critical point based on the method of semiclassical approximation.

  2. Computation of local exchange coefficients in strongly interacting one-dimensional few-body systems: local density approximation and exact results

    NASA Astrophysics Data System (ADS)

    Marchukov, Oleksandr V.; Eriksen, Emil H.; Midtgaard, Jonatan M.; Kalaee, Alex A. S.; Fedorov, Dmitri V.; Jensen, Aksel S.; Zinner, Nikolaj T.

    2016-02-01

    One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining potentials the local exchanges are given by highly non-trivial geometric factors that depend solely on the geometry of the confinement through the single-particle eigenstates of the external potential. To obtain accurate effective Hamiltonians to describe such systems one needs to be able to compute these geometric factors with high precision which is difficult due to the computational complexity of the high-dimensional integrals involved. An approach using the local density approximation would therefore be a most welcome approximation due to its simplicity. Here we assess the accuracy of the local density approximation by going beyond the simple harmonic oscillator that has been the focus of previous studies and consider some double-wells of current experimental interest. We find that the local density approximation works quite well as long as the potentials resemble harmonic wells but break down for larger barriers. In order to explore the consequences of applying the local density approximation in a concrete setup we consider quantum state transfer in the effective spin models that one obtains. Here we find that even minute deviations in the local exchange coefficients between the exact and the local density approximation can induce large deviations in the fidelity of state transfer for four, five, and six particles.

  3. Breakdown of the adiabatic Born-Oppenheimer approximation in graphene

    NASA Astrophysics Data System (ADS)

    Pisana, Simone; Lazzeri, Michele; Casiraghi, Cinzia; Novoselov, Kostya S.; Geim, A. K.; Ferrari, Andrea C.; Mauri, Francesco

    2007-03-01

    The adiabatic Born-Oppenheimer approximation (ABO) has been the standard ansatz to describe the interaction between electrons and nuclei since the early days of quantum mechanics. ABO assumes that the lighter electrons adjust adiabatically to the motion of the heavier nuclei, remaining at any time in their instantaneous ground state. ABO is well justified when the energy gap between ground and excited electronic states is larger than the energy scale of the nuclear motion. In metals, the gap is zero and phenomena beyond ABO (such as phonon-mediated superconductivity or phonon-induced renormalization of the electronic properties) occur. The use of ABO to describe lattice motion in metals is, therefore, questionable. In spite of this, ABO has proved effective for the accurate determination of chemical reactions, molecular dynamics and phonon frequencies in a wide range of metallic systems. Here, we show that ABO fails in graphene. Graphene, recently discovered in the free state, is a zero-bandgap semiconductor that becomes a metal if the Fermi energy is tuned applying a gate voltage, Vg. This induces a stiffening of the Raman G peak that cannot be described within ABO.

  4. 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.

  5. Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation

    PubMed Central

    Gidopoulos, Nikitas I.; Gross, E. K. U.

    2014-01-01

    A novel treatment of non-adiabatic couplings is proposed. The derivation is based on a theorem by Hunter stating that the wave function of the complete system of electrons and nuclei can be written, without approximation, as a Born–Oppenheimer (BO)-type product of a nuclear wave function, X(R), and an electronic one, ΦR(r), which depends parametrically on the nuclear configuration R. From the variational principle, we deduce formally exact equations for ΦR(r) and X(R). The algebraic structure of the exact nuclear equation coincides with the corresponding one in the adiabatic approximation. The electronic equation, however, contains terms not appearing in the adiabatic case, which couple the electronic and the nuclear wave functions and account for the electron–nuclear correlation beyond the BO level. It is proposed that these terms can be incorporated using an optimized local effective potential. PMID:24516183

  6. 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.

  7. A harmonic adiabatic approximation to calculate highly excited vibrational levels of ``floppy molecules''

    NASA Astrophysics Data System (ADS)

    Lauvergnat, David; Nauts, André; Justum, Yves; Chapuisat, Xavier

    2001-04-01

    The harmonic adiabatic approximation (HADA), an efficient and accurate quantum method to calculate highly excited vibrational levels of molecular systems, is presented. It is well-suited to applications to "floppy molecules" with a rather large number of atoms (N>3). A clever choice of internal coordinates naturally suggests their separation into active, slow, or large amplitude coordinates q', and inactive, fast, or small amplitude coordinates q″, which leads to an adiabatic (or Born-Oppenheimer-type) approximation (ADA), i.e., the total wave function is expressed as a product of active and inactive total wave functions. However, within the framework of the ADA, potential energy data concerning the inactive coordinates q″ are required. To reduce this need, a minimum energy domain (MED) is defined by minimizing the potential energy surface (PES) for each value of the active variables q', and a quadratic or harmonic expansion of the PES, based on the MED, is used (MED harmonic potential). In other words, the overall picture is that of a harmonic valley about the MED. In the case of only one active variable, we have a minimum energy path (MEP) and a MEP harmonic potential. The combination of the MED harmonic potential and the adiabatic approximation (harmonic adiabatic approximation: HADA) greatly reduces the size of the numerical computations, so that rather large molecules can be studied. In the present article however, the HADA is applied to our benchmark molecule HCN/CNH, to test the validity of the method. Thus, the HADA vibrational energy levels are compared and are in excellent agreement with the ADA calculations (adiabatic approximation with the full PES) of Light and Bačić [J. Chem. Phys. 87, 4008 (1987)]. Furthermore, the exact harmonic results (exact calculations without the adiabatic approximation but with the MEP harmonic potential) are compared to the exact calculations (without any sort of approximation). In addition, we compare the densities of

  8. Constructing diabatic representations using adiabatic and approximate diabatic data – Coping with diabolical singularities

    SciTech Connect

    Zhu, Xiaolei Yarkony, David R.

    2016-01-28

    We have recently introduced a diabatization scheme, which simultaneously fits and diabatizes adiabatic ab initio electronic wave functions, Zhu and Yarkony J. Chem. Phys. 140, 024112 (2014). The algorithm uses derivative couplings in the defining equations for the diabatic Hamiltonian, H{sup d}, and fits all its matrix elements simultaneously to adiabatic state data. This procedure ultimately provides an accurate, quantifiably diabatic, representation of the adiabatic electronic structure data. However, optimizing the large number of nonlinear parameters in the basis functions and adjusting the number and kind of basis functions from which the fit is built, which provide the essential flexibility, has proved challenging. In this work, we introduce a procedure that combines adiabatic state and diabatic state data to efficiently optimize the nonlinear parameters and basis function expansion. Further, we consider using direct properties based diabatizations to initialize the fitting procedure. To address this issue, we introduce a systematic method for eliminating the debilitating (diabolical) singularities in the defining equations of properties based diabatizations. We exploit the observation that if approximate diabatic data are available, the commonly used approach of fitting each matrix element of H{sup d} individually provides a starting point (seed) from which convergence of the full H{sup d} construction algorithm is rapid. The optimization of nonlinear parameters and basis functions and the elimination of debilitating singularities are, respectively, illustrated using the 1,2,3,4{sup 1}A states of phenol and the 1,2{sup 1}A states of NH{sub 3}, states which are coupled by conical intersections.

  9. On the Validity of the Adiabatic Approximation in Compact Binary Inspirals

    NASA Astrophysics Data System (ADS)

    Maselli, Andrea; Gualtieri, Leonardo; Ferrari, Valeria; Pannarale, Francesco

    2015-01-01

    We use the post-Newtonian-Affine model to assess the validity of the adiabatic approximation in modeling tidal effects in the phase evolution of compact binary systems. We compute the dynamical evolution of the tidal tensor, which we estimate at the 2PN order, and of the quadrupole tensor, finding that their ratio, i.e. the tidal deformability, increases in the last phases of the inspiral. We derive the gravitational wave phase corrections due to this phenomenon and quantify how they affect gravitational wave detectability.

  10. Adiabatic approximation in time-dependent reduced-density-matrix functional theory

    SciTech Connect

    Requist, Ryan; Pankratov, Oleg

    2010-04-15

    With the aim of describing real-time electron dynamics, we introduce an adiabatic approximation for the equation of motion of the one-body reduced density matrix (one-matrix). The eigenvalues of the one-matrix, which represent the occupation numbers of single-particle orbitals, are obtained from the constrained minimization of the instantaneous ground-state energy functional rather than from their dynamical equations. The performance of the approximation vis-a-vis nonadiabatic effects is assessed in real-time simulations of a two-site Hubbard model. Due to Landau-Zener-type transitions, the system evolves into a nonstationary state with persistent oscillations in the observables. The amplitude of the oscillations displays a strongly nonmonotonic dependence on the strength of the electron-electron interaction and the rate of variation of the external potential. We interpret an associated resonance behavior in the phase of the oscillations in terms of 'scattering' with spectator energy levels. To clarify the motivation for the minimization condition, we derive a sequence of energy functionals E{sub v}{sup (n)}, for which the corresponding sequence of minimizing one-matrices is asymptotic to the exact one-matrix in the adiabatic limit.

  11. Power spectra in the eikonal approximation with adiabatic and nonadiabatic modes

    NASA Astrophysics Data System (ADS)

    Bernardeau, Francis; Van de Rijt, Nicolas; Vernizzi, Filippo

    2013-02-01

    We use the so-called eikonal approximation, recently introduced in the context of cosmological perturbation theory, to compute power spectra for multicomponent fluids. We demonstrate that, at any given order in standard perturbation theory, multipoint power spectra do not depend on the large-scale adiabatic modes. Moreover, we employ perturbation theories to decipher how nonadiabatic modes, such as a relative velocity between two different components, damp the small-scale matter power spectrum, a mechanism recently described in the literature. In particular, we do an explicit calculation at one-loop order of this effect. While the one-loop result eventually breaks down, we show how the damping effect can be fully captured by the help of the eikonal approximation. A relative velocity not only induces mode damping but also creates large-scale anisotropic modulations of the matter power spectrum amplitude. We illustrate this for the Local Group environment.

  12. Practical approximation of the non-adiabatic coupling terms for same-symmetry interstate crossings by using adiabatic potential energies only

    NASA Astrophysics Data System (ADS)

    Baeck, Kyoung Koo; An, Heesun

    2017-02-01

    A very simple equation, Fij A p p=[(∂2(Via-Vja ) /∂Q2 ) /(Via-Vja ) ] 1 /2/2 , giving a reliable magnitude of non-adiabatic coupling terms (NACTs, Fij's) based on adiabatic potential energies only (Via and Vja) was discovered, and its reliability was tested for several prototypes of same-symmetry interstate crossings in LiF, C2, NH3Cl, and C6H5SH molecules. Our theoretical derivation starts from the analysis of the relationship between the Lorentzian dependence of NACTs along a diabatization coordinate and the well-established linear vibronic coupling scheme. This analysis results in a very simple equation, α =2 κ /Δc , enabling the evaluation of the Lorentz function α parameter in terms of the coupling constant κ and the energy gap Δc (Δc=|Via-Vja| Q c ) between adiabatic states at the crossing point QC. Subsequently, it was shown that QC corresponds to the point where Fij A p p exhibit maximum values if we set the coupling parameter as κ =[(Via-Vja ) ṡ(∂2(Via-Vja ) /∂Q2 ) ] Qc1 /2 /2 . Finally, we conjectured that this relation could give reasonable values of NACTs not only at the crossing point but also at other geometries near QC. In this final approximation, the pre-defined crossing point QC is not required. The results of our test demonstrate that the approximation works much better than initially expected. The present new method does not depend on the selection of an ab initio method for adiabatic electronic states but is currently limited to local non-adiabatic regions where only two electronic states are dominantly involved within a nuclear degree of freedom.

  13. On the validity of the adiabatic approximation in compact binary inspirals

    NASA Astrophysics Data System (ADS)

    Maselli, Andrea; Gualtieri, Leonardo; Pannarale, Francesco; Ferrari, Valeria

    2012-08-01

    Using a semianalytical approach recently developed to model the tidal deformations of neutron stars in inspiralling compact binaries, we study the dynamical evolution of the tidal tensor, which we explicitly derive at second post-Newtonian order, and of the quadrupole tensor. Since we do not assume a priori that the quadrupole tensor is proportional to the tidal tensor, i.e., the so-called “adiabatic approximation,” our approach enables us to establish to which extent such approximation is reliable. We find that the ratio between the quadrupole and tidal tensors (i.e., the Love number) increases as the inspiral progresses, but this phenomenon only marginally affects the emitted gravitational waveform. We estimate the frequency range in which the tidal component of the gravitational signal is well described using the Stationary phase approximation at next-to-leading post-Newtonian order, comparing different contributions to the tidal phase. We also derive a semianalytical expression for the Love number, which reproduces within a few percentage points the results obtained so far by numerical integrations of the relativistic equations of stellar perturbations.

  14. 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.

  15. Semiclassical quantization of bound and quasistationary states beyond the adiabatic approximation

    SciTech Connect

    Benderskii, V.A.; Vetoshkin, E.V.; Kats, E.I.

    2004-06-01

    We examine one important (and previously overlooked) aspect of well-known crossing diabatic potentials or Landau-Zener (LZ) problem. We derive the semiclassical quantization rules for the crossing diabatic potentials with localized initial and localized or delocalized final states, in the intermediate energy region, when all four adiabatic states are coupled and should be taken into account. We found all needed connection matrices and present the following analytical results: (i) in the tunneling region, the splittings of vibrational levels are represented as a product of the splitting in the lower adiabatic potential and the nontrivial function depending on the Massey parameter; (ii) in the overbarrier region, we find specific resonances between the levels in the lower and in the upper adiabatic potentials and, in that condition, independent quantizations rules are not correct; (iii) for the delocalized final states (decay lower adiabatic potential), we describe quasistationary states and calculate the decay rate as a function of the adiabatic coupling; and (iv) for the intermediate energy regions, we calculate the energy level quantization, which can be brought into a compact form by using either adiabatic or diabatic basis set (in contrast to the previous results found in the Landau diabatic basis). Applications of the results may concern the various systems; e.g., molecules undergoing conversion of electronic states, radiationless transitions, or isomerization reactions.

  16. Analytical First-Order Molecular Properties and Forces within the Adiabatic Connection Random Phase Approximation.

    PubMed

    Burow, Asbjörn M; Bates, Jefferson E; Furche, Filipp; Eshuis, Henk

    2014-01-14

    The random phase approximation (RPA) is an increasingly popular method for computing molecular ground-state correlation energies within the adiabatic connection fluctuation-dissipation theorem framework of density functional theory. We present an efficient analytical implementation of first-order RPA molecular properties and nuclear forces using the resolution-of-the-identity (RI) approximation and imaginary frequency integration. The centerpiece of our approach is a variational RPA energy Lagrangian invariant under unitary transformations of occupied and virtual reference orbitals, respectively. Its construction requires the solution of a single coupled-perturbed Kohn-Sham equation independent of the number of perturbations. Energy gradients with respect to nuclear displacements and other first-order properties such as one-particle densities or dipole moments are obtained from partial derivatives of the Lagrangian. Our RPA energy gradient implementation exhibits the same [Formula: see text] scaling with system size N as a single-point RPA energy calculation. In typical applications, the cost for computing the entire gradient vector with respect to nuclear displacements is ∼5 times that of a single-point RPA energy calculation. Derivatives of the quadrature nodes and weights used for frequency integration are essential for RPA gradients with an accuracy consistent with RPA energies and can be included in our approach. The quality of RPA equilibrium structures is assessed by comparison to accurate theoretical and experimental data for covalent main group compounds, weakly bonded dimers, and transition metal complexes. RPA outperforms semilocal functionals as well as second-order Møller-Plesset (MP2) theory, which fails badly for the transition metal compounds. Dipole moments of polarizable molecules and weakly bound dimers show a similar trend. RPA harmonic vibrational frequencies are nearly of coupled cluster singles, doubles, and perturbative triples quality

  17. Electronic localization and bad-metallicity in pure and electron-doped troilite: A local-density-approximation plus dynamical-mean-field-theory study of FeS for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Craco, L.; Faria, J. L. B.

    2016-02-01

    Iron sulfides are promising candidates for the next generation of rechargeable lithium-ion battery materials. Motivated thereby, we present a detailed study of correlation- and doping-induced electronic reconstruction in troilite. Based on local-density-approximation plus dynamical-mean-field-theory, we stress the importance of multi-orbital Coulomb interactions in concert with first-principles band structure calculations for a consistent understanding of intrinsic Mott-Hubbard insulating state in FeS. We explore the anomalous nature of electron doping-induced insulator-bad metal transition, showing that it is driven by orbital-selective dynamical spectral weight transfer. Our results are relevant for understanding charge dynamics upon electrochemical lithiation of iron monosulfides electrode materials for lithium-ion batteries.

  18. 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

  19. Progress toward post-adiabatic EMRI waveforms using the multiscale approximation

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

    I present updates on an analytic approximation method for use in computing orbits and waveforms for Extreme Mass Ratio Inspirals (EMRIs). EMRIs are of particular interest for future space-based gravitational wave detectors, such as (e)LISA. Such gravitational wave detectors will depend on precise predictions of the waveform to take full advantage of the available data. The analytic approximation method for which I present new developments is based on second order self force methods, improved by use of the two-timescale approximation method. Once complete, this method will allow efficient computations of highly accurate EMRI waveforms.

  20. Plasma radiation sources. Quasi-adiabatic theory and numerical modeling in the electro-diffusive approximation

    NASA Astrophysics Data System (ADS)

    Guillory, J. U.; Terry, R. E.

    1984-07-01

    This report describes work done under DNA Contract 001-79-C-0189 from February 1982 to June 1983, and some more recent work. Part 1 includes treatments of a simple zero-D implosion code, analytic but very approximate scaling laws for radiation, and a discussion of preliminary work on nonlinear field penetration of plasma. Part 2 contains a discussion of electrodiffusive 1D modeling of annular plasma implosions. The thermoelectrical field, its role in field penetrations, the nonlocal constraints required in field diffusion (and some arising from field diffusion), flux limits and the acceleration process for annular plasmas are discussed.

  1. A Derivation of Aharonov-Casher Phase and Another Adiabatic Approximation for Pure Gauge Under General Rashba Effects

    NASA Astrophysics Data System (ADS)

    Kondo, Kenji

    2016-09-01

    Spin filters using spin-orbit interaction (SOI) are very important in the field of spintronics. Therefore, a theory of devices using SOI is necessary for designing the spin filters. The spin-filtering devices can be used to generate and detect spin polarized currents. Many researchers have reported on the spin-filters using linear Rashba SOI. However, the spin-filters using square and cubic Rashba SOIs are not yet reported. This is surely because the Aharonov-Casher (AC) phases acquired under square and cubic Rashba SOIs are ambiguous. In this paper, we try to derive the AC phases acquired under nth order Rashba SOIs, which we call general Rashba SOIs, using non-Abelian SU (2) gauge theory. As a result, we have successfully derived these AC phases without completing the square methods which is useless except for linear Rashba SOI. In the process of derivation of AC phases, we have also found another expression of adiabatic approximation for a pure gauge. This finding will lead to the starting point for deeply understanding the adiabatic approximation. Using the above AC phases under general Rashba SOIs, we investigate the spin filter effect in Aharonov-Bohm (AB) ring with double quantum dots (QDs) under general Rashba SOIs. The spin transport is investigated from left nanowire to right nanowire in this structure within tight binding approximation. Especially, we focus on the difference of spin filter effects among general Rashba SOIs. We have obtained the penetrating magnetic flux dependence of spin polarization for the AB ring subject to general Rashba SOIs. It is found that the perfect spin filtering is achieved for all the Rashba SOIs. This result indicates that this AB ring under general Rashba SOIs can be a promising device for spin current generation without ferromagnetic metals. Moreover, this device under different order Rashba SOI behaves in totally different ways in response to penetrating magnetic flux, which is attributed to n times rotation of

  2. Padé approximation of the adiabatic electron contribution to the gyrokinetic quasi-neutrality equation in the ORB5 code

    NASA Astrophysics Data System (ADS)

    Lanti, E.; Dominski, J.; Brunner, S.; McMillan, B. F.; Villard, L.

    2016-11-01

    This work aims at completing the implementation of a solver for the quasineutrality equation using a Padé approximation in the global gyrokinetic code ORB5. Initially [Dominski, Ph.D. thesis, 2016], the Pade approximation was only implemented for the kinetic electron model. To enable runs with adiabatic or hybrid electron models while using a Pade approximation to the polarization response, the adiabatic response term of the quasi-neutrality equation must be consistently modified. It is shown that the Pade solver is in good agreement with the arbitrary wavelength solver of ORB5 [Dominski, Ph.D. thesis, 2016]. To perform this verification, the linear dispersion relation of an ITG-TEM transition is computed for both solvers and the linear growth rates and frequencies are compared.

  3. Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation.

    PubMed

    Casida, Mark E; Huix-Rotllant, Miquel

    2016-01-01

    In their famous paper, Kohn and Sham formulated a formally exact density-functional theory (DFT) for the ground-state energy and density of a system of N interacting electrons, albeit limited at the time by certain troubling representability questions. As no practical exact form of the exchange-correlation (xc) energy functional was known, the xc-functional had to be approximated, ideally by a local or semilocal functional. Nowadays, however, the realization that Nature is not always so nearsighted has driven us up Perdew's Jacob's ladder to find increasingly nonlocal density/wavefunction hybrid functionals. Time-dependent (TD-) DFT is a younger development which allows DFT concepts to be used to describe the temporal evolution of the density in the presence of a perturbing field. Linear response (LR) theory then allows spectra and other information about excited states to be extracted from TD-DFT. Once again the exact TD-DFT xc-functional must be approximated in practical calculations and this has historically been done using the TD-DFT adiabatic approximation (AA) which is to TD-DFT very similar to what the local density approximation (LDA) is to conventional ground-state DFT. Although some of the recent advances in TD-DFT focus on what can be done within the AA, others explore ways around the AA. After giving an overview of DFT, TD-DFT, and LR-TD-DFT, this chapter focuses on many-body corrections to LR-TD-DFT as one way to build hybrid density-functional/wavefunction methodology for incorporating aspects of nonlocality in time not present in the AA.

  4. 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.

  5. Vibrational quenching of excitonic splittings in H-bonded molecular dimers: adiabatic description and effective mode approximation.

    PubMed

    Kopec, Sabine; Ottiger, Philipp; Leutwyler, Samuel; Köppel, Horst

    2012-11-14

    The quenching of the excitonic splitting in hydrogen-bonded molecular dimers has been explained recently in terms of exciton coupling theory, involving Förster's degenerate perturbation theoretical approach [P. Ottiger, S. Leutwyler, and H. Köppel, J. Chem. Phys. 136, 174308 (2012)]. Here we provide an alternative explanation based on the properties of the adiabatic potential energy surfaces. In the proper limit, the lower of these surfaces exhibits a double-minimum shape, with an asymmetric distortion that destroys the geometric equivalence of the excitonically coupled monomers. An effective mode is introduced that exactly reproduces the energy gain and amount of distortion that occurs in a multi-dimensional normal coordinate space. This allows to describe the quenched exciton splitting as the energy difference of the two (S(1) and S(2)) vibronic band origins in a one-dimensional (rather than multi-dimensional) vibronic calculation. The agreement with the earlier result (based on Förster theory) is excellent for all five relevant cases studied. A simple rationale for the quenched exciton splitting as nonadiabatic tunneling splitting on the lower double-minimum potential energy surface is given.

  6. Quasi-local approximation of non-local exchange-correlation kernels in the adiabatic-connection fluctuation-dissipation theorem

    NASA Astrophysics Data System (ADS)

    Lu, Deyu

    The adiabatic-connection fluctuation-dissipation theorem (ACFDT) is a formal theoretical framework to treat van der Waals (vdW) dispersion interactions. Under the random phase approximation (RPA), it yields the correct asymptotic behavior at large distances, but the short-range correlation is overestimated. It has been demonstrated that non-local exchange-correlation kernels can systematically correct the errors of RPA for homogenous electron gas. However, direct extension of non-local kernels derived from the electron gas model to inhomogeneous systems raises several issues. In addition to the high computational expense, the non-local kernels worsen the rare gas dimer binding curve as compared to RPA. In this study, we propose a quasi-local approximation of the non-local kernel in order to address these issues. This research used resources of the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704.

  7. 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.

  8. 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

  9. 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.

  10. Transitionless driving on adiabatic search algorithm

    NASA Astrophysics Data System (ADS)

    Oh, Sangchul; Kais, Sabre

    2014-12-01

    We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.

  11. Transitionless driving on adiabatic search algorithm.

    PubMed

    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.

  12. Adiabatic-impulse approximation for avoided level crossings: From phase-transition dynamics to Landau-Zener evolutions and back again

    SciTech Connect

    Damski, Bogdan; Zurek, Wojciech H.

    2006-06-15

    We show that a simple approximation based on concepts underlying the Kibble-Zurek theory of second order phase-transition dynamics can be used to treat avoided level crossing problems. The approach discussed in this paper provides an intuitive insight into quantum dynamics of two-level systems, and may serve as a link between the theory of dynamics of classical and quantum phase transitions. To illustrate these ideas we analyze dynamics of a paramagnet-ferromagnet quantum phase transition in the Ising model. We also present exact unpublished solutions of the Landau-Zener-like problems.

  13. Optimizing Adiabaticity in NMR

    NASA Astrophysics Data System (ADS)

    Vandermause, Jonathan; Ramanathan, Chandrasekhar

    We demonstrate the utility of Berry's superadiabatic formalism for numerically finding control sequences that implement quasi-adiabatic unitary transformations. Using an iterative interaction picture, we design a shortcut to adiabaticity that reduces the time required to perform an adiabatic inversion pulse in liquid state NMR. We also show that it is possible to extend our scheme to two or more qubits to find adiabatic quantum transformations that are allowed by the control algebra, and demonstrate a two-qubit entangling operation in liquid state NMR. We examine the pulse lengths at which the fidelity of these adiabatic transitions break down and compare with the quantum speed limit.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. Interplay between Rashba spin-orbit coupling and adiabatic rotation in a two-dimensional Fermi gas

    NASA Astrophysics Data System (ADS)

    Doko, E.; Subaşı, A. L.; Iskin, M.

    2017-01-01

    We explore the trap profiles of a two-dimensional atomic Fermi gas in the presence of a Rashba spin-orbit coupling and under an adiabatic rotation. We first consider a noninteracting gas and show that the competition between the effects of Rashba coupling on the local density of single-particle states and the Coriolis effects caused by rotation gives rise to a characteristic ring-shaped density profile that survives at experimentally accessible temperatures. Furthermore, Rashba splitting of the Landau levels gives the density profiles a ziggurat shape in the rapid-rotation limit. We then consider an interacting gas under the BCS mean-field approximation for local pairing, and study the pair-breaking mechanism that is induced by the Coriolis effects on superfluidity, where we calculate the critical rotation frequencies both for the onset of pair breaking and for the complete destruction of superfluidity in the system. In particular, by comparing the results of a fully-quantum-mechanical Bogoliubov-de Gennes approach with those of a semiclassical local-density approximation, we construct extensive phase diagrams for a wide range of parameter regimes in the trap where the aforementioned competition may, e.g., favor an outer normal edge that is completely phase separated from the central superfluid core by vacuum.

  19. 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

  20. 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.

  1. Quantum adiabatic machine learning

    NASA Astrophysics Data System (ADS)

    Pudenz, Kristen L.; Lidar, Daniel A.

    2013-05-01

    We develop an approach to machine learning and anomaly detection via quantum adiabatic evolution. This approach consists of two quantum phases, with some amount of classical preprocessing to set up the quantum problems. In the training phase we identify an optimal set of weak classifiers, to form a single strong classifier. In the testing phase we adiabatically evolve one or more strong classifiers on a superposition of inputs in order to find certain anomalous elements in the classification space. Both the training and testing phases are executed via quantum adiabatic evolution. All quantum processing is strictly limited to two-qubit interactions so as to ensure physical feasibility. We apply and illustrate this approach in detail to the problem of software verification and validation, with a specific example of the learning phase applied to a problem of interest in flight control systems. Beyond this example, the algorithm can be used to attack a broad class of anomaly detection problems.

  2. 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.

  3. 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.

  4. 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.

  5. Semiconductor adiabatic qubits

    DOEpatents

    Carroll, Malcolm S.; Witzel, Wayne; Jacobson, Noah Tobias; Ganti, Anand; Landahl, Andrew J.; Lilly, Michael; Nguyen, Khoi Thi; Bishop, Nathaniel; Carr, Stephen M.; Bussmann, Ezra; Nielsen, Erik; Levy, James Ewers; Blume-Kohout, Robin J.; Rahman, Rajib

    2016-12-27

    A quantum computing device that includes a plurality of semiconductor adiabatic qubits is described herein. The qubits are programmed with local biases and coupling terms between qubits that represent a problem of interest. The qubits are initialized by way of a tuneable parameter, a local tunnel coupling within each qubit, such that the qubits remain in a ground energy state, and that initial state is represented by the qubits being in a superposition of |0> and |1> states. The parameter is altered over time adiabatically or such that relaxation mechanisms maintain a large fraction of ground state occupation through decreasing the tunnel coupling barrier within each qubit with the appropriate schedule. The final state when tunnel coupling is effectively zero represents the solution state to the problem represented in the |0> and |1> basis, which can be accurately read at each qubit location.

  6. 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.

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

    PubMed

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

    2015-09-07

    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.

  8. 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.

  9. Nonadiabatic transitions in finite-time adiabatic rapid passage

    NASA Astrophysics Data System (ADS)

    Lu, T.; Miao, X.; Metcalf, H.

    2007-06-01

    To apply the adiabatic rapid passage process repetitively [T. Lu, X. Miao, and H. Metcalf, Phys. Rev. A 71, 061405(R) (2005)], the nonadiabatic transition probability of a two-level atom subject to chirped light pulses over a finite period of time needs to be calculated. Using a unitary first-order perturbation method in the rotating adiabatic frame, an approximate formula has been derived for such transition probabilities in the entire parameter space of the pulses.

  10. On Adiabatic Pair Creation

    NASA Astrophysics Data System (ADS)

    Pickl, Peter; Dürr, Detlef

    2008-08-01

    We give here a rigorous proof of the well known prediction of pair creation as it arises from the Dirac equation with an external time dependent potential. Pair creation happens with probability one if the potential changes adiabatically in time and becomes overcritical, which means that an eigenvalue curve (as a function of time) bridges the gap between the negative and positive spectral continuum. The potential can be thought of as being zero at large negative and large positive times. The rigorous treatment of this effect has been lacking since the pioneering work of Beck, Steinwedel and Süßmann [1] in 1963 and Gershtein and Zeldovich [8] in 1970.

  11. 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.

  12. Fixed-point adiabatic quantum search

    NASA Astrophysics Data System (ADS)

    Dalzell, Alexander M.; Yoder, Theodore J.; Chuang, Isaac L.

    2017-01-01

    Fixed-point quantum search algorithms succeed at finding one of M target items among N total items even when the run time of the algorithm is longer than necessary. While the famous Grover's algorithm can search quadratically faster than a classical computer, it lacks the fixed-point property—the fraction of target items must be known precisely to know when to terminate the algorithm. Recently, Yoder, Low, and Chuang [Phys. Rev. Lett. 113, 210501 (2014), 10.1103/PhysRevLett.113.210501] gave an optimal gate-model search algorithm with the fixed-point property. Previously, it had been discovered by Roland and Cerf [Phys. Rev. A 65, 042308 (2002), 10.1103/PhysRevA.65.042308] that an adiabatic quantum algorithm, operating by continuously varying a Hamiltonian, can reproduce the quadratic speedup of gate-model Grover search. We ask, can an adiabatic algorithm also reproduce the fixed-point property? We show that the answer depends on what interpolation schedule is used, so as in the gate model, there are both fixed-point and non-fixed-point versions of adiabatic search, only some of which attain the quadratic quantum speedup. Guided by geometric intuition on the Bloch sphere, we rigorously justify our claims with an explicit upper bound on the error in the adiabatic approximation. We also show that the fixed-point adiabatic search algorithm can be simulated in the gate model with neither loss of the quadratic Grover speedup nor of the fixed-point property. Finally, we discuss natural uses of fixed-point algorithms such as preparation of a relatively prime state and oblivious amplitude amplification.

  13. Fast forward to the classical adiabatic invariant

    NASA Astrophysics Data System (ADS)

    Jarzynski, Christopher; Deffner, Sebastian; Patra, Ayoti; Subaşı, Yiǧit

    2017-03-01

    We show how the classical action, an adiabatic invariant, can be preserved under nonadiabatic conditions. Specifically, for a time-dependent Hamiltonian H =p2/2 m +U (q ,t ) in one degree of freedom, and for an arbitrary choice of action I0, we construct a so-called fast-forward potential energy function VFF(q ,t ) that, when added to H , guides all trajectories with initial action I0 to end with the same value of action. We use this result to construct a local dynamical invariant J (q ,p ,t ) whose value remains constant along these trajectories. We illustrate our results with numerical simulations. Finally, we sketch how our classical results may be used to design approximate quantum shortcuts to adiabaticity.

  14. Multiphoton adiabatic passage for atom optics applications

    SciTech Connect

    Demeter, Gabor; Djotyan, Gagik P.

    2009-04-15

    We study the force exerted on two-level atoms by short, counterpropagating laser pulses. When the counterpropagating pulses overlap each other partially, multiphoton adiabatic processes are possible in several configurations, which amplify the force exerted on the atoms. We investigate the practical usefulness of such multiphoton adiabatic transitions for the manipulation of the atoms' mechanical state. In particular, we compare the efficiency of a pair of constant frequency, oppositely detuned laser pulses and that of a pair of frequency-chirped pulses. We also consider the case of prolonged exposure to a sequence of laser pulses for a duration that is comparable to or much larger than the spontaneous lifetime of the atoms. We use numerical methods to calculate the reduction of the force and the heating of the atomic ensemble when spontaneous emission cannot be neglected during the interaction. In addition, we derive simple approximate formulas for the force and the heating, and compare them to the numerical results.

  15. 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.…

  16. Adiabatic vs. non-adiabatic determination of specific absorption rate of ferrofluids

    NASA Astrophysics Data System (ADS)

    Natividad, Eva; Castro, Miguel; Mediano, Arturo

    2009-05-01

    The measurement of temperature variations in adiabatic conditions allows the determination of the specific absorption rate of magnetic nanoparticles and ferrofluids from the correct incremental expression, SAR=(1/ m MNP) C(Δ T/Δ t). However, when measurements take place in non-adiabatic conditions, one must approximate this expression by SAR≈ Cβ/ m MNP, where β is the initial slope of the temperature vs. time curve during alternating field application. The errors arising from the use of this approximation were estimated through several experiments with different isolating conditions, temperature sensors and sample-sensor contacts. It is concluded that small to appreciable errors can appear, which are difficult to infer or control.

  17. Adiabatic charging of nickel-hydrogen batteries

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

    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.

  18. Local density of optical states of an asymmetric waveguide grating at photonic band gap resonant wavelength

    NASA Astrophysics Data System (ADS)

    Alatas, Husin; Sumaryada, Tony I.; Ahmad, Faozan

    2015-01-01

    We have investigated the characteristics of local density of optical states (LDOS) at photonic band gap resonant wavelength of an asymmetric waveguide grating based on Green's function formulation. It is found that the LDOS of the considered structure exhibits different characteristics in its localization between the upper and lower resonant wavelengths of the corresponding photonic band gap edges.

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

    SciTech Connect

    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.

  20. Scanning single quantum emitter fluorescence lifetime imaging: quantitative analysis of the local density of photonic states.

    PubMed

    Schell, Andreas W; Engel, Philip; Werra, Julia F M; Wolff, Christian; Busch, Kurt; Benson, Oliver

    2014-05-14

    Their intrinsic properties render single quantum systems as ideal tools for quantum enhanced sensing and microscopy. As an additional benefit, their size is typically on an atomic scale that enables sensing with very high spatial resolution. Here, we report on utilizing a single nitrogen vacancy center in nanodiamond for performing three-dimensional scanning-probe fluorescence lifetime imaging microscopy. By measuring changes of the single emitter's lifetime, information on the local density of optical states is acquired at the nanoscale. Three-dimensional ab initio discontinuous Galerkin time-domain simulations are used in order to verify the results and to obtain additional insights. This combination of experiment and simulations to gather quantitative information on the local density of optical states is of direct relevance for the understanding of fundamental quantum optical processes as well as for the engineering of novel photonic and plasmonic devices.

  1. Characterization of the local density-of-states fluctuations near the integer quantum Hall transition in a quantum-dot array

    NASA Astrophysics Data System (ADS)

    Jug, Giancarlo; Ziegler, Klaus

    1997-10-01

    We present a calculation for the second moment of the local density of states in a model of a two-dimensional quantum dot array near the quantum Hall transition. The quantum dot array model is a realistic adaptation of the lattice model for the quantum Hall transition in the two-dimensional electron gas in an external magnetic field proposed by Ludwig, Fisher, Shankar, and Grinstein. We make use of a Dirac fermion representation for the Green's functions in the presence of fluctuations for the quantum dot energy levels. A saddle-point approximation yields nonperturbative results for the first and second moments of the local density of states, showing interesting fluctuation behavior near the quantum Hall transition. To our knowledge we discuss here one of the first analytic characterizations of chaotic behavior for a two-dimensional mesoscopic structure. The connection with possible experimental investigations of the local density of states in the quantum dot array structures (by means of NMR Knight-shift or single-electron-tunneling techniques) and our work is also established.

  2. The Floquet Adiabatic Theorem revisited

    NASA Astrophysics Data System (ADS)

    Weinberg, Phillip; Bukov, Marin; D'Alessio, Luca; Kolodrubetz, Michael; Davidson, Shainen; Polkovnikov, Anatoli

    2015-03-01

    The existance of the adiabatic theorem for Floquet systems has been the subject of an active debate with different articles reaching opposite conclusions over the years. In this talk we clarify the situation by deriving a systematic expansion in the time-derivatives of a slow parameter for the occupation probabilities of the Floque states. Our analysis shows that the in a certain limit the transition between Floquet eigenstates are suppressed and it is possible to define an adiabatic theorem for Floquet systems. Crucially we observe however that the conditions for adiabaticity in ordinary and Floquet systems are different and that this difference can become important when the amplitude of the periodic driving is large. We illustrate our results with specific examples of a periodically driven harmonic oscillator and cold atoms in optical lattices which are relevant in current experiments.

  3. Adiabatic losses in Stirling refrigerators

    SciTech Connect

    Bauwens, L.

    1996-06-01

    The Stirling cycle has been used very effectively in cryocoolers; but efficiencies relative to the Carnot limit are typically observed to peak for absolute temperature ratios of about two, which makes it less suitable for low-life refrigeration. The adiabatic loss appears to be responsible for poor performance at small temperature differences. In this paper, adiabatic losses are evaluated, for a temperature ratio of 2/3, taking into account the effect of phase angle between pistons, of volume ratio, of the distribution of the dead volume necessary to reduce the volume ratio, and of the distribution of displacement between expansion and compression spaces. The study is carried out numerically, using an adiabatic Stirling engine model in which cylinder flow is assumed to be stratified. Results show that the best location for the cylinder dead volume is on the compression side. Otherwise, all strategies used to trade off refrigeration for coefficient of performance are found to be roughly equivalent.

  4. 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

  5. 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.

  6. 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.

  7. 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…

  8. Accurate Variational Description of Adiabatic Quantum Optimization

    NASA Astrophysics Data System (ADS)

    Carleo, Giuseppe; Bauer, Bela; Troyer, Matthias

    Adiabatic quantum optimization (AQO) is a quantum computing protocol where a system is driven by a time-dependent Hamiltonian. The initial Hamiltonian has an easily prepared ground-state and the final Hamiltonian encodes some desired optimization problem. An adiabatic time evolution then yields a solution to the optimization problem. Several challenges emerge in the theoretical description of this protocol: on one hand, the exact simulation of quantum dynamics is exponentially complex in the size of the optimization problem. On the other hand, approximate approaches such as tensor network states (TNS) are limited to small instances by the amount of entanglement that can be encoded. I will present here an extension of the time-dependent Variational Monte Carlo approach to problems in AQO. This approach is based on a general class of (Jastrow-Feenberg) entangled states, whose parameters are evolved in time according to a stochastic variational principle. We demonstrate this approach for optimization problems of the Ising spin-glass type. A very good accuracy is achieved when compared to exact time-dependent TNS on small instances. We then apply this approach to larger problems, and discuss the efficiency of the quantum annealing scheme in comparison with its classical counterpart.

  9. Nonadiabatic Transitions in Adiabatic Rapid Passage

    NASA Astrophysics Data System (ADS)

    Lu, T.; Miao, X.; Metcalf, H.

    2006-05-01

    Optical forces much larger than the ordinary radiative force can be achieved on a two-level atom by multiple repetitions of adiabatic rapid passage sweeps with counterpropagating light beams. Chirped light pulses drive the atom-laser system up a ladder of dressed state energy sheets on sequential trajectories, thereby decreasing the atomic kinetic energy. Nonadiabatic transitions between the energy sheets must be avoided for this process to be effective. We have calculated the nonadiabatic transition probability for various chirped light pulses numerically. These results were compared to the first Demkov-Kunike model and the well-known Landau-Zener model. In addition, an analytical form of the nonadiabatic transition probability has been found for linearly chirped pulses and an approximate form for generic symmetric finite-time pulses has been found for the entire parameter space using the technique of unitary integration. From this, the asymptotic transition probability in the adiabatic limit was derived. T. Lu, X. Miao, and H. Metcalf, Phys., Rev. A 71 061405(R) (2005). Yu. Demkov and M. Kunike, Vestn. Leningr. Univ. Fis. Khim., 16, 39 (1969); K.-A. Suominen and B. Garraway, Phys. Rev. A45, 374 (1992)

  10. Digital waveguide adiabatic passage part 1: theory

    NASA Astrophysics Data System (ADS)

    Vaitkus, Jesse A.; Steel, M. J.; Greentree, Andrew D.

    2017-03-01

    Spatial adiabatic passage represents a new way to design integrated photonic devices. In conventional adiabatic passage designs require smoothly varying waveguide separations. Here we show modelling of adiabatic passage devices where the waveguide separation is varied digitally. Despite digitisation, our designs show robustness against variations in the input wavelength and refractive index contrast of the waveguides relative to the cladding. This approach to spatial adiabatic passage opens new design strategies and hence the potential for new photonics devices.

  11. What determines large scale galaxy clustering: halo mass or local density?

    NASA Astrophysics Data System (ADS)

    Pujol, Arnau; Hoffmann, Kai; Jiménez, Noelia; Gaztañaga, Enrique

    2017-02-01

    Using a dark matter simulation we show how halo bias is determined by local density and not by halo mass. This is not totally surprising as, according to the peak-background split model, local matter density (bar δ) is the property that constrains bias at large scales. Massive haloes have a high clustering because they reside in high density regions. Small haloes can be found in a wide range of environments which differentially determine their clustering amplitudes. This contradicts the assumption made by standard halo occupation distribution (HOD) models that bias and occupation of haloes is determined solely by their mass. We show that the bias of central galaxies from semi-analytic models of galaxy formation as a function of luminosity and colour is therefore not correctly predicted by the standard HOD model. Using bar δ (of matter or galaxies) instead of halo mass, the HOD model correctly predicts galaxy bias. These results indicate the need to include information about local density and not only mass in order to correctly apply HOD analysis in these galaxy samples. This new model can be readily applied to observations and has the advantage that, in contrast with the dark matter halo mass, the galaxy density can be directly observed.

  12. 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.

  13. 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.

  14. 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.

  15. Adiabatic invariants for the regular region of the Dicke model

    NASA Astrophysics Data System (ADS)

    Bastarrachea-Magnani, M. A.; Relaño, A.; Lerma-Hernández, S.; López-del-Carpio, B.; Chávez-Carlos, J.; Hirsch, J. G.

    2017-04-01

    Adiabatic invariants for the non-integrable Dicke model are introduced. They are shown to provide approximate second integrals of motion in the energy region where the system exhibits a regular dynamics. This low-energy region, present for any set of values of the Hamiltonian parameters is described both with a semiclassical and a full quantum analysis in a broad region of the parameter space. Peres lattices in this region exhibit that many observables vary smoothly with energy, along distinct lines which beg for a formal description. It is demonstrated how the adiabatic invariants provide a rationale to their presence in many cases. They are built employing the Born–Oppenheimer approximation, valid when a fast system is coupled to a much slower one. As the Dicke model has one bosonic and one fermionic degree of freedom, two versions of the approximation are used, depending on which one is the faster. In both cases a noticeably accord with exact numerical results is obtained. The employment of the adiabatic invariants provides a simple and clear theoretical framework to study the physical phenomenology associated to these regimes, far beyond the energies where a quadratic approximation around the minimal energy configuration can be used.

  16. 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.

  17. Studies on plasmon characteristics and the local density of states of Au and Ag based nanoparticles

    NASA Astrophysics Data System (ADS)

    Vinod, M.; Biju, V.; Gopchandran, K. G.

    2016-01-01

    Knowledge about the conductive properties and the local density of states of chemically pure Au, Ag, Ag@Au core-shell and Au-Ag bimetallic nanoparticles is technologically important. Herein, the I-V characteristics and the density of states derived from scanning tunneling microscopy measurements made under atmospheric conditions is reported. The nanoparticles in thin film form used in this study were prepared by laser ablation in water followed by drop and evaporation. The morphology of the surface of the nanostructures was observed from optimizing tunneling current in each case. The monometallic Au and Ag particles shows almost similar current characteristics as well as discrete energy states but the slope of I-V characteristics was different for bimetallic structures. An attempt has also been made to compare the current measurements done in the nanoscale with the surface plasmon characteristics.

  18. A New Simplified Local Density Model for Adsorption of Pure Gases and Binary Mixtures

    NASA Astrophysics Data System (ADS)

    Hasanzadeh, M.; Dehghani, M. R.; Feyzi, F.; Behzadi, B.

    2010-12-01

    Adsorption modeling is an important tool for process simulation and design. Many theoretical models have been developed to describe adsorption data for pure and multicomponent gases. The simplified local density (SLD) approach is a thermodynamic model that can be used with any equation of state and offers some predictive capability with adjustable parameters for modeling of slit-shaped pores. In previous studies, the SLD model has been utilized with the Lennard-Jones potential function for modeling of fluid-solid interactions. In this article, we have focused on application of the Sutherland potential function in an SLD-Peng-Robinson model. The advantages and disadvantages of using the new potential function for adsorption of methane, ethane, carbon dioxide, nitrogen, and three binary mixtures on two types of activated carbon are illustrated. The results have been compared with previous models. It is shown that the new SLD model can correlate adsorption data for different pressures and temperatures with minimum error.

  19. Directional Local Density of States of Classical and Quantum Propagating Surface Plasmons

    NASA Astrophysics Data System (ADS)

    Berthel, Martin; Jiang, Quanbo; Pham, Aline; Bellessa, Joel; Genet, Cyriaque; Huant, Serge; Drezet, Aurélien

    2017-01-01

    We theoretically and experimentally introduce the concept of the local density of states (LDOS) associated with propagative surface plasmons (PSPs) launched along a structured thin gold film (a concept we call PSP LDOS). The alternative method couples a near-field optical microscope, in either the classical or the quantum regime of excitation, to a far-field leakage-radiation microscope. This method allows for selecting and collecting a very narrow portion of the directional SP wave vectors, thereby offering sufficient resolution to probe the collimation efficiency of a SP beam for a source near the focal point of a Bragg parabolic reflector. We are able to build and image the PSP LDOS in a fully integrated quantum SP launcher by depositing a diamond nanocrystal hosting nitrogen-vacancy centers at the focal point of the mirror. Our demonstration of the PSP LDOS with quantized SPs offers alternative prospects in the field of quantum plasmonics.

  20. Local Density of States in One-dimensional Photonic Crystals and Sinusoidal Superlattices

    NASA Astrophysics Data System (ADS)

    Ignatchenko, V. A.; Tsikalov, D. S.

    We have calculated the local density of states (LDOS) for four Brillouin zones of a superlattice for a plane source depending on its location relative to the change in the profile of dielectricpermeability ɛ(z) of the superlattice. It is shown that the LDOS for the cases of sinusoidal and rectangular profiles of ɛ(z) are close to each other in the first and second Brillouin zones, and sharp differences between them appear beginning with the third zone. Radical changes in the LDOS occur in a rectangular superlattice with different thicknesses of adjacent layers. In this case, the function LDOS has a sharp jump at the edges of the allowed bands in the transition from one layer to another. The effects studied theoretically in this paper, can be detected and studied experimentally by the intensively developing currently methods of nanooptics.

  1. Light scattering, field localization and local density of states in co-axial plasmonic nanowires.

    PubMed

    Lawrence, Nate; Dal Negro, Luca

    2010-07-19

    Based on analytical scattering theory, we develop a multipolar expansion method to investigate systematically the near-field enhancement, far-field scattering and Local Density of States (LDOS) spectra in concentric metal-insulator-metal (MIM) cylindrical nanostructures, or coaxial plasmonic nanowires (CPNs). We demonstrate that these structures support distinctive plasmonic resonances with strongly reduced scattering in the far-field zone and significant electric field enhancement in deep sub-wavelength dielectric regions. Additionally, we study systematically the effects of geometrical parameters and dielectric index on the near-field and far-field plasmonic response of CPNs in the visible and near infrared spectral range. Finally, we demonstrate that CPNs provide a convenient approach for engineering strong (almost three orders of magnitude) LDOS enhancement in sub-wavelength dielectric gaps at multiple frequencies. These results enable the engineering of multiband optical detectors and CPNs-based light emitters with simultaneously enhanced excitation and emission rates for nanoplasmonics.

  2. Resolving phase information of the optical local density of state with scattering near-field probes

    NASA Astrophysics Data System (ADS)

    Prasad, R.; Vincent, R.

    2016-10-01

    We theoretically discuss the link between the phase measured using a scattering optical scanning near-field microscopy (s-SNOM) and the local density of optical states (LDOS). A remarkable result is that the LDOS information is directly included in the phase of the probe. Therefore by monitoring the spatial variation of the trans-scattering phase, we locally measure the phase modulation associated with the probe and the optical paths. We demonstrate numerically that a technique involving two-phase imaging of a sample with two different sized tips should allow to obtain the image the pLDOS. For this imaging method, numerical comparison with extinction probe measurement shows crucial qualitative and quantitative improvement.

  3. 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.

  4. Adiabatic modulation of cnoidal wave by Kuznetsov - Ma soliton

    NASA Astrophysics Data System (ADS)

    Makarov, V. A.; Petnikova, V. M.; Shuvalov, V. V.

    2016-08-01

    The problem of nonlinear interaction of a cnoidal wave (a “fast” component of vector light field) with localized in time and periodic in space control signal in the form of Kuznetsov-Ma soliton (a "slow" component of the same field) is analytically solved in the adiabatic approximation. The conditions which must be fulfilled for stable propagation of the obtained solution with amplitude and frequency modulation are determined.

  5. Digitized adiabatic quantum computing with a superconducting circuit, part II: Experiment

    NASA Astrophysics Data System (ADS)

    Barends, R.; Shabani, A.; Lamata, L.; Kelly, J.; Mezzacapo, A.; Las Heras, U.; Babbush, R.; Fowler, A. G.; Campbell, B.; Chen, Y.; Chen, Z.; Chiaro, B.; Dunsworth, A.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J.; Neeley, M.; Neill, C.; O'Malley, P.; Quintana, C.; Roushan, P.; Solano, E.; Neven, H.; Martinis, J.

    A major challenge in quantum computing is to solve general problems with limited physical hardware. We implement digitized adiabatic quantum computing, combining the generality of the adiabatic algorithm with the universality of the digital approach, using a superconducting circuit with nine qubits. We probe the adiabatic evolutions, explore the scaling of errors with system size, and quantify the success of the algorithm for random spin problems. We find that the system can approximate the solutions to both frustrated Ising problems and non-stoquastic problem Hamiltonians with a performance that is comparable.

  6. Theory of Adiabatic Fountain Resonance

    NASA Astrophysics Data System (ADS)

    Williams, Gary A.

    2017-01-01

    The theory of "Adiabatic Fountain Resonance" with superfluid ^4{He} is clarified. In this geometry a film region between two silicon wafers bonded at their outer edge opens up to a central region with a free surface. We find that the resonance in this system is not a Helmholtz resonance as claimed by Gasparini et al., but in fact is a fourth sound resonance. We postulate that it occurs at relatively low frequency because the thin silicon wafers flex appreciably from the pressure oscillations of the sound wave.

  7. Adiabatic Wankel type rotary engine

    NASA Technical Reports Server (NTRS)

    Kamo, R.; Badgley, P.; Doup, D.

    1988-01-01

    This SBIR Phase program accomplished the objective of advancing the technology of the Wankel type rotary engine for aircraft applications through the use of adiabatic engine technology. Based on the results of this program, technology is in place to provide a rotor and side and intermediate housings with thermal barrier coatings. A detailed cycle analysis of the NASA 1007R Direct Injection Stratified Charge (DISC) rotary engine was performed which concluded that applying thermal barrier coatings to the rotor should be successful and that it was unlikely that the rotor housing could be successfully run with thermal barrier coatings as the thermal stresses were extensive.

  8. 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.

  9. Adiabatic and non-adiabatic charge pumping in a single-level molecular motor

    NASA Astrophysics Data System (ADS)

    Napitu, B. D.; Thijssen, J. M.

    2015-07-01

    We propose a design for realizing quantum charge pump based on a recent proposal for a molecular motor (Seldenthuis J S et al 2010 ACS Nano 4 6681). Our design is based on the presence of a moiety with a permanent dipole moment which can rotate, thereby modulating the couplings to metallic contacts at both ends of the molecule. Using the non-equilibrium Keldysh Green’s function formalism (NEGF), we show that our design indeed generates a pump current. In the non-interacting pump, the variation of frequency from adiabatic to non-adiabatic regime, can be used to control the direction as well as the amplitude of the average current. The effect of Coulomb interaction is considered within the first- and the second- order perturbation. The numerical implementation of the scheme is quite demanding, and we develop an analytical approximation to obtain a speed-up giving results within a reasonable time. We find that the amplitude of the average pumped current can be controlled by both the driving frequency and the Coulomb interaction. The direction of of pumped current is shown to be determined by the phase difference between left and right anchoring groups.

  10. Adiabatic and non-adiabatic charge pumping in a single-level molecular motor.

    PubMed

    Napitu, B D; Thijssen, J M

    2015-07-15

    We propose a design for realizing quantum charge pump based on a recent proposal for a molecular motor (Seldenthuis J S et al 2010 ACS Nano 4 6681). Our design is based on the presence of a moiety with a permanent dipole moment which can rotate, thereby modulating the couplings to metallic contacts at both ends of the molecule. Using the non-equilibrium Keldysh Green's function formalism (NEGF), we show that our design indeed generates a pump current. In the non-interacting pump, the variation of frequency from adiabatic to non-adiabatic regime, can be used to control the direction as well as the amplitude of the average current. The effect of Coulomb interaction is considered within the first- and the second- order perturbation. The numerical implementation of the scheme is quite demanding, and we develop an analytical approximation to obtain a speed-up giving results within a reasonable time. We find that the amplitude of the average pumped current can be controlled by both the driving frequency and the Coulomb interaction. The direction of of pumped current is shown to be determined by the phase difference between left and right anchoring groups.

  11. Ultrafast adiabatic second harmonic generation

    NASA Astrophysics Data System (ADS)

    Dahan, Asaf; Levanon, Assaf; Katz, Mordechai; Suchowski, Haim

    2017-03-01

    We introduce a generalization of the adiabatic frequency conversion method for an efficient conversion of ultrashort pulses in the full nonlinear regime. Our analysis takes into account dispersion as well as two-photon processes and Kerr effect, allowing complete analysis of any three waves with arbitrary phase mismatched design and any nonlinear optical process. We use this analysis to design an efficient and robust second harmonic generation, the most widely used nonlinear process for both fundamental and applied research. We experimentally show that such design not only allows for very efficient conversion of various of ultrashort pulses, but is also very robust to variations in the parameters of both the nonlinear crystal and the incoming light. These include variation of more than 100 °C in the crystal temperature, a wide bandwidth of up to 75 nm and a chirp variation of 300 fs to 3.5 ps of the incoming pulse. Also, we show the dependency of the adiabatic second harmonic generation design on the pump intensity and the crystal length. Our study shows that two photon absorption plays a critical role in such high influence nonlinear dynamics, and that it must be considered in order to achieve agreement with experimental results.

  12. Ultrafast adiabatic second harmonic generation.

    PubMed

    Dahan, Asaf; Levanon, Assaf; Katz, Mordechai; Suchowski, Haim

    2017-03-01

    We introduce a generalization of the adiabatic frequency conversion method for an efficient conversion of ultrashort pulses in the full nonlinear regime. Our analysis takes into account dispersion as well as two-photon processes and Kerr effect, allowing complete analysis of any three waves with arbitrary phase mismatched design and any nonlinear optical process. We use this analysis to design an efficient and robust second harmonic generation, the most widely used nonlinear process for both fundamental and applied research. We experimentally show that such design not only allows for very efficient conversion of various of ultrashort pulses, but is also very robust to variations in the parameters of both the nonlinear crystal and the incoming light. These include variation of more than 100 °C in the crystal temperature, a wide bandwidth of up to 75 nm and a chirp variation of 300 fs to 3.5 ps of the incoming pulse. Also, we show the dependency of the adiabatic second harmonic generation design on the pump intensity and the crystal length. Our study shows that two photon absorption plays a critical role in such high influence nonlinear dynamics, and that it must be considered in order to achieve agreement with experimental results.

  13. Packing microstructure and local density variations of experimental and computational pebble beds

    SciTech Connect

    Auwerda, G. J.; Kloosterman, J. L.; Lathouwers, D.; Van Der Hagen, T. H. J. J.

    2012-07-01

    In pebble bed type nuclear reactors the fuel is contained in graphite pebbles, which form a randomly stacked bed with a non-uniform packing density. These variations can influence local coolant flow and power density and are a possible cause of hotspots. To analyse local density variations computational methods are needed that can generate randomly stacked pebble beds with a realistic packing structure on a pebble-to-pebble level. We first compare various properties of the local packing structure of a computed bed with those of an image made using computer aided X-ray tomography, looking at properties in the bulk of the bed and near the wall separately. Especially for the bulk of the bed, properties of the computed bed show good comparison with the scanned bed and with literature, giving confidence our method generates beds with realistic packing microstructure. Results also show the packing structure is different near the wall than in the bulk of the bed, with pebbles near the wall forming ordered layers similar to hexagonal close packing. Next, variations in the local packing density are investigated by comparing probability density functions of the packing fraction of small clusters of pebbles throughout the bed. Especially near the wall large variations in local packing fractions exists, with a higher probability for both clusters of pebbles with low (<0.6) and high (>0.65) packing fraction, which could significantly affect flow rates and, together with higher power densities, could result in hotspots. (authors)

  14. Confinement loss in adiabatic photonic crystal fiber tapers

    NASA Astrophysics Data System (ADS)

    Kuhlmey, Boris T.; Nguyen, Hong C.; Steel, M. J.; Eggleton, Benjamin J.

    2006-09-01

    We numerically study confinement loss in photonic crystal fiber (PCF) tapers and compare our results with previously published experimental data. Agreement between theory and experiment requires taking into account hole shrinkage during the tapering process, which we measure by using a noninvasive technique. We show that losses are fully explained within the adiabatic approximation and that they are closely linked to the existence of a fundamental core-mode cutoff. This cutoff is equivalent to the core-mode cutoff in depressed-cladding fibers, so that losses in PCF tapers can be obtained semiquantitatively from an equivalent depressed-cladding fiber model. Finally, we discuss the definition of adiabaticity in this open boundary problem.

  15. 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.

  16. An interacting adiabatic quantum motor

    NASA Astrophysics Data System (ADS)

    Viola Kusminskiy, Silvia; Bruch, Anton; von Oppen, Felix

    We consider the effect of electron-electron interactions on the performance of an adiabatic quantum motor based on a Thouless pump operating in reverse. We model such a device by electrons in a 1d wire coupled to a slowly moving periodic potential associated with the classical mechanical degree of freedom of the motor. This periodic degree of freedom is set into motion by a bias voltage applied to the 1d electron channel. We investigate the Thouless motor with interacting leads modeled as Luttinger liquids. We show that interactions enhance the energy gap opened by the periodic potential and thus the robustness of the Thouless motor against variations in the chemical potential. We show that the motor degree of freedom can be described as a mobile impurity in a Luttinger liquid obeying Langevin dynamics with renormalized coefficients due to interactions, for which we give explicit expressions.

  17. 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.

  18. Quantum adiabatic optimization and combinatorial landscapes

    NASA Astrophysics Data System (ADS)

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

    2004-09-01

    In this paper we analyze the performance of the Quantum Adiabatic Evolution algorithm on a variant of the satisfiability problem for an ensemble of random graphs parametrized by the ratio of clauses to variables, γ=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 (instead of only energy) is used, and are able to show the existence of a dynamic threshold γ=γd starting with some value of K —the number of variables in each clause. Beyond the dynamic threshold, the algorithm 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. We have been able to map the ensemble of random graphs onto another ensemble with fluctuations significantly reduced. This enabled us to obtain tight upper bounds on the satisfiability transition and to recompute the dynamical transition using the extended set of landscapes.

  19. Design of the PIXIE adiabatic demagnetization refrigerators

    NASA Astrophysics Data System (ADS)

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

    2012-04-01

    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 telescope 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 mW, while maintaining a peak heat reject rate of less than 12 mW. The detector heat load at 0.1 K is comparatively small at 1-2 μW. 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.

  20. High magnetic field theory for the local density of states in graphene with smooth arbitrary potential landscapes

    NASA Astrophysics Data System (ADS)

    Champel, Thierry; Florens, Serge

    2010-07-01

    We study theoretically the energy and spatially resolved local density of states (LDoS) in graphene at high perpendicular magnetic field. For this purpose, we extend from the Schrödinger to the Dirac case a semicoherent-state Green’s-function formalism, devised to obtain in a quantitative way the lifting of the Landau-level degeneracy in the presence of smooth confinement and smooth disordered potentials. Our general technique, which rigorously describes quantum-mechanical motion in a magnetic field beyond the semiclassical guiding center picture of vanishing magnetic length (both for the ordinary two-dimensional electron gas and graphene), is connected to the deformation (Weyl) quantization theory in phase space developed in mathematical physics. For generic quadratic potentials of either scalar (i.e., electrostatic) or mass (i.e., associated with coupling to the substrate) types, we exactly solve the regime of large magnetic field (yet at finite magnetic length, formally, this amounts to considering an infinite Fermi velocity) where Landau-level mixing becomes negligible. Hence, we obtain a closed-form expression for the graphene Green’s function in this regime, providing analytically the discrete energy spectra for both cases of scalar and mass parabolic confinement. Furthermore, the coherent-state representation is shown to display a hierarchy of local energy scales ordered by powers of the magnetic length and successive spatial derivatives of the local potential, which allows one to devise controlled approximation schemes at finite temperature for arbitrary and possibly disordered potential landscapes. As an application, we derive general analytical nonperturbative expressions for the LDoS, which may serve as a good starting point for interpreting experimental studies. For instance, we are able to account for many puzzling features of the LDoS recently observed by high magnetic field scanning tunneling spectroscopy experiments on graphene, such as a

  1. 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.

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

    DOE PAGES

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

    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

  3. Adiabatic heating in impulsive solar flares

    NASA Technical Reports Server (NTRS)

    Maetzler, C.; Bai, T.; Crannell, C. J.; Frost, K. J.

    1977-01-01

    The dynamic X-ray spectra of two simple, impulsive solar flares are examined together with H alpha, microwave and meter wave radio observations. X-ray spectra of both events were characteristic of thermal bremsstrahlung from single temperature plasmas. The symmetry between rise and fall was found to hold for the temperature and emission measure. The relationship between temperature and emission measure was that of an adiabatic compression followed by adiabatic expansion; the adiabatic index of 5/3 indicated that the electron distribution remained isotropic. Observations in H alpha provided further evidence for compressive energy transfer.

  4. Stellar oscillations - II - The non-adiabatic case

    NASA Astrophysics Data System (ADS)

    Samadi, R.; Belkacem, K.; Sonoi, T.

    2015-02-01

    A leap forward has been performed due to the space-borne missions, MOST, CoRoT and Kepler. They provided a wealth of observational data, and more precisely oscillation spectra, which have been (and are still) exploited to infer the internal structure of stars. While an adiabatic approach is often sufficient to get information on the stellar equilibrium structures it is not sufficient to get a full understanding of the physics of the oscillation. Indeed, it does not permit one to answer some fundamental questions about the oscillations, such as: What are the physical mechanisms responsible for the pulsations inside stars? What determines the amplitudes? To what extent the adiabatic approximation is valid? All these questions can only be addressed by considering the energy exchanges between the oscillations and the surrounding medium. This lecture therefore aims at considering the energetical aspects of stellar pulsations with particular emphasis on the driving and damping mechanisms. To this end, the full non-adiabatic equations are introduced and thoroughly discussed. Two types of pulsation are distinguished, namely the self-excited oscillations that result from an instability and the solar-like oscillations that result from a balance between driving and damping by turbulent convection. For each type, the main physical principles are presented and illustrated using recent observations obtained with the ultra-high precision photometry space-borne missions (MOST, CoRoT and Kepler). Finally, we consider in detail the physics of scaling relations, which relates the seismic global indices with the global stellar parameters and gave birth to the development of statistical (or ensemble) asteroseismology. Indeed, several of these relations rely on the same cause: the physics of non-adiabatic oscillations.

  5. 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.

  6. Adiabatic Quantum Search in Open Systems.

    PubMed

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

    2016-10-07

    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.

  7. 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.

  8. 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)

  9. 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.

  10. 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.

  11. Criterion for the dynamical stability of a non-adiabatic spherical self-gravitating body

    NASA Astrophysics Data System (ADS)

    Stothers, Richard B.

    1999-04-01

    Why do stars and planets maintain their dynamical stability over cosmically long periods of time? The standard answer is that the first generalized adiabatic exponent of their material, Gamma_1, exceeds the value 4/3. Yet it has never been rigorously demonstrated (except for the simple one-zone model) that non-adiabatic effects do not modify this result at some level. Many authors, in fact, have suggested the probable need for a non-adiabatic correction to the square of the radial adiabatic eigenfrequency, sigma^2, which ostensibly governs dynamical stability in the more general case where Gamma_1 varies throughout a fully distributed self-gravitating spherical body. Here, a carefully controlled series of numerical experiments based on linear and non-linear hydrodynamical models of highly non-adiabatic spherically symmetric stellar envelopes (mimicking the envelopes of luminous blue variables) confirms, quite generally, that the purely adiabatic criterion sigma^2>0 does in fact determine dynamical stability. An accurate approximation to this criterion is further shown to be that the volumetric pressure-weighted average of Gamma_1 must exceed 4/3. These results, which concern only radial stability, verify the theoretical basis of the more sophisticated models for luminous blue variables that were constructed by the author and C.-w. Chin, but they do not support the objections to these models raised by W. Glatzel and M. Kiriakidis.

  12. 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.

  13. 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.

  14. 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…

  15. 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.

  16. 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)

  17. 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

  18. 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

  19. Approximation algorithms

    PubMed Central

    Schulz, Andreas S.; Shmoys, David B.; Williamson, David P.

    1997-01-01

    Increasing global competition, rapidly changing markets, and greater consumer awareness have altered the way in which corporations do business. To become more efficient, many industries have sought to model some operational aspects by gigantic optimization problems. It is not atypical to encounter models that capture 106 separate “yes” or “no” decisions to be made. Although one could, in principle, try all 2106 possible solutions to find the optimal one, such a method would be impractically slow. Unfortunately, for most of these models, no algorithms are known that find optimal solutions with reasonable computation times. Typically, industry must rely on solutions of unguaranteed quality that are constructed in an ad hoc manner. Fortunately, for some of these models there are good approximation algorithms: algorithms that produce solutions quickly that are provably close to optimal. Over the past 6 years, there has been a sequence of major breakthroughs in our understanding of the design of approximation algorithms and of limits to obtaining such performance guarantees; this area has been one of the most flourishing areas of discrete mathematics and theoretical computer science. PMID:9370525

  20. Multiscale enhanced sampling for protein systems: An extension via adiabatic separation

    NASA Astrophysics Data System (ADS)

    Moritsugu, Kei; Terada, Tohru; Kidera, Akinori

    2016-09-01

    Multiscale enhanced sampling (MSES) calculates the configurational ensemble of all-atom (MM) protein systems with the help of coupling to a coarse-grained (CG) model. Here, for further improvement of the sampling efficiency, the approximation of adiabatic separation was introduced to the original MSES, by adopting a high CG temperature limit. An application to the folding of chignolin in explicit solvent demonstrated that the MSES formula based on adiabatic separation correctly sampled the canonical ensemble with excellent efficiency and robustness against the parameter selection, and thus MSES successfully achieved the scalability for applications to large protein systems.

  1. Accurate measurement of the specific absorption rate using a suitable adiabatic magnetothermal setup

    NASA Astrophysics Data System (ADS)

    Natividad, Eva; Castro, Miguel; Mediano, Arturo

    2008-03-01

    Accurate measurements of the specific absorption rate (SAR) of solids and fluids were obtained by a calorimetric method, using a special-purpose setup working under adiabatic conditions. Unlike in current nonadiabatic setups, the weak heat exchange with the surroundings allowed a straightforward determination of temperature increments, avoiding the usual initial-time approximations. The measurements performed on a commercial magnetite aqueous ferrofluid revealed a good reproducibility (4%). Also, the measurements on a copper sample allowed comparison between experimental and theoretical values: adiabatic conditions gave SAR values only 3% higher than the theoretical ones, while the typical nonadiabatic method underestimated SAR by 21%.

  2. An adiabatic linearized path integral approach for quantum time correlation functions: electronic transport in metal-molten salt solutions.

    PubMed

    Causo, Maria Serena; Ciccotti, Giovanni; Montemayor, Daniel; Bonella, Sara; Coker, David F

    2005-04-14

    We generalize the linearized path integral approach to evaluate quantum time correlation functions for systems best described by a set of nuclear and electronic degrees of freedom, restricting ourselves to the adiabatic approximation. If the operators in the correlation function are nondiagonal in the electronic states, then this adiabatic linearized path integral approximation for the thermal averaged quantum dynamics presents interesting and distinctive features, which we derive and explore in this paper. The capability of these approximations to accurately reproduce the behavior of physical systems is demonstrated by calculating the diffusion constant for an excess electron in a metal-molten salt solution.

  3. Adiabatic optimization versus diffusion Monte Carlo methods

    NASA Astrophysics Data System (ADS)

    Jarret, Michael; Jordan, Stephen P.; Lackey, Brad

    2016-10-01

    Most experimental and theoretical studies of adiabatic optimization use stoquastic Hamiltonians, whose ground states are expressible using only real nonnegative amplitudes. This raises a question as to whether classical Monte Carlo methods can simulate stoquastic adiabatic algorithms with polynomial overhead. Here we analyze diffusion Monte Carlo algorithms. We argue that, based on differences between L1 and L2 normalized states, these algorithms suffer from certain obstructions preventing them from efficiently simulating stoquastic adiabatic evolution in generality. In practice however, we obtain good performance by introducing a method that we call Substochastic Monte Carlo. In fact, our simulations are good classical optimization algorithms in their own right, competitive with the best previously known heuristic solvers for MAX-k -SAT at k =2 ,3 ,4 .

  4. Nonadiabatic exchange dynamics during adiabatic frequency sweeps.

    PubMed

    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.

  5. 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.

  6. On black hole spectroscopy via adiabatic invariance

    NASA Astrophysics Data System (ADS)

    Jiang, Qing-Quan; Han, Yan

    2012-12-01

    In this Letter, we obtain the black hole spectroscopy by combining the black hole property of adiabaticity and the oscillating velocity of the black hole horizon. This velocity is obtained in the tunneling framework. In particular, we declare, if requiring canonical invariance, the adiabatic invariant quantity should be of the covariant form Iadia = ∮pi dqi. Using it, the horizon area of a Schwarzschild black hole is quantized independently of the choice of coordinates, with an equally spaced spectroscopy always given by ΔA = 8 π lp2 in the Schwarzschild and Painlevé coordinates.

  7. 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.

  8. 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.

  9. Adiabatic cluster-state quantum computing

    SciTech Connect

    Bacon, Dave; Flammia, Steven T.

    2010-09-15

    Models of quantum computation (QC) are important because they change the physical requirements for achieving universal QC. For example, one-way QC requires the preparation of an entangled ''cluster'' state, followed by adaptive measurement on this state, a set of requirements which is different from the standard quantum-circuit model. Here we introduce a model based on one-way QC but without measurements (except for the final readout), instead using adiabatic deformation of a Hamiltonian whose initial ground state is the cluster state. Our results could help increase the feasibility of adiabatic schemes by using tools from one-way QC.

  10. Markovian quantum master equation beyond adiabatic regime.

    PubMed

    Yamaguchi, Makoto; Yuge, Tatsuro; Ogawa, Tetsuo

    2017-01-01

    By introducing a temporal change time scale τ_{A}(t) for the time-dependent system Hamiltonian, a general formulation of the Markovian quantum master equation is given to go well beyond the adiabatic regime. In appropriate situations, the framework is well justified even if τ_{A}(t) is faster than the decay time scale of the bath correlation function. An application to the dissipative Landau-Zener model demonstrates this general result. The findings are applicable to a wide range of fields, providing a basis for quantum control beyond the adiabatic regime.

  11. Markovian quantum master equation beyond adiabatic regime

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Makoto; Yuge, Tatsuro; Ogawa, Tetsuo

    2017-01-01

    By introducing a temporal change time scale τA(t ) for the time-dependent system Hamiltonian, a general formulation of the Markovian quantum master equation is given to go well beyond the adiabatic regime. In appropriate situations, the framework is well justified even if τA(t ) is faster than the decay time scale of the bath correlation function. An application to the dissipative Landau-Zener model demonstrates this general result. The findings are applicable to a wide range of fields, providing a basis for quantum control beyond the adiabatic regime.

  12. Adiabatic limit in Abelian Higgs model with application to Seiberg-Witten equations

    NASA Astrophysics Data System (ADS)

    Sergeev, A.

    2017-03-01

    In this paper we deal with the (2 + 1)-dimensional Higgs model governed by the Ginzburg-Landau Lagrangian. The static solutions of this model, called otherwise vortices, are described by the theorem of Taubes. This theorem gives, in particular, an explicit description of the moduli space of vortices (with respect to gauge transforms). However, much less is known about the moduli space of dynamical solutions. A description of slowly moving solutions may be given in terms of the adiabatic limit. In this limit the dynamical Ginzburg-Landau equations reduce to the adiabatic equation coinciding with the Euler equation for geodesics on the moduli space of vortices with respect to the Riemannian metric (called T-metric) determined by the kinetic energy of the model. A similar adiabatic limit procedure can be used to describe approximately solutions of the Seiberg-Witten equations on 4-dimensional symplectic manifolds. In this case the geodesics of T-metric are replaced by the pseudoholomorphic curves while the solutions of Seiberg-Witten equations reduce to the families of vortices defined in the normal planes to the limiting pseudoholomorphic curve. Such families should satisfy a nonlinear ∂-equation which can be considered as a complex analogue of the adiabatic equation. Respectively, the arising pseudoholomorphic curves may be considered as complex analogues of adiabatic geodesics in (2 + 1)-dimensional case. In this sense the Seiberg-Witten model may be treated as a (2 + 1)-dimensional analogue of the (2 + 1)-dimensional Abelian Higgs model2.

  13. Construction of the adiabatic connection

    NASA Astrophysics Data System (ADS)

    Ernzerhof, Matthias

    1996-12-01

    Two models for the change in the λ-dependent exchange-correlation energy upon atomization ΔExc, λ = Exc λatoms - Exc λmolecule are proposed, where E xc,λ = <ψ λ| V̂ee|λ λ> - ʃ d3r d3r' p(r)p(r')/2|r - r'| . The wavefunction ψλ yields the ground-state density ϱ adn mininizes T̂ + λ V̂ee. These models ( ΔExc,λmodel) make use of the exact Ex and generalized gradient approximations (GGAs) to Exc. The construction of the simplest model is verified by calculating the exact d ΔExc, λ/d λ| λ=0 from density functional pertubation theory and comparing it to d ΔExc, λmodel/d λ| λ=0 . For systems with strong static correlations, explicit inclusion of d ΔExc, λ/d λ| λ=0 further improves the approximation to ΔExc, λ. Atomization energies calculated from ΔExc, λmodel show a significant improvement over GGA.

  14. 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)

  15. 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…

  16. The effect of adiabaticity on strongly quenched Bose Einstein Condensates

    NASA Astrophysics Data System (ADS)

    Ling, Hong; Kain, Ben

    2015-05-01

    We study the properties of a Bose-Einstein condensate following a deep quench to a large scattering length during which the condensate fraction nc changes with time. We construct a closed set of equations that highlight the role of the adiabaticity or equivalently, dnc/dt, the rate change of nc, which is to induce an (imaginary) effective interaction between quasiparticles. We show analytically that such a system supports a steady state characterized by a constant condensate density and a steady but periodically changing momentum distribution, whose time average is described exactly by the generalized Gibbs ensemble. We discuss how the nc -induced effective interaction, which cannot be ignored on the grounds of the adiabatic approximation for modes near the gapless Goldstone mode, can significantly affect condensate populations and Tan's contact for a Bose gas that has undergone a deep quench. In particular, we find that even when the Bose gas is quenched to unitarity, nc(t) does not completely deplete, approaching, instead, to a steady state with a finite condensate fraction. ITAMP, Harvard-Smithsonian Center for Astrophysics; KITP, University of Santa Barbara.

  17. Highly parallel implementation of non-adiabatic Ehrenfest molecular dynamics

    NASA Astrophysics Data System (ADS)

    Kanai, Yosuke; Schleife, Andre; Draeger, Erik; Anisimov, Victor; Correa, Alfredo

    2014-03-01

    While the adiabatic Born-Oppenheimer approximation tremendously lowers computational effort, many questions in modern physics, chemistry, and materials science require an explicit description of coupled non-adiabatic electron-ion dynamics. Electronic stopping, i.e. the energy transfer of a fast projectile atom to the electronic system of the target material, is a notorious example. We recently implemented real-time time-dependent density functional theory based on the plane-wave pseudopotential formalism in the Qbox/qb@ll codes. We demonstrate that explicit integration using a fourth-order Runge-Kutta scheme is very suitable for modern highly parallelized supercomputers. Applying the new implementation to systems with hundreds of atoms and thousands of electrons, we achieved excellent performance and scalability on a large number of nodes both on the BlueGene based ``Sequoia'' system at LLNL as well as the Cray architecture of ``Blue Waters'' at NCSA. As an example, we discuss our work on computing the electronic stopping power of aluminum and gold for hydrogen projectiles, showing an excellent agreement with experiment. These first-principles calculations allow us to gain important insight into the the fundamental physics of electronic stopping.

  18. Adiabatic and Non-adiabatic quenches in a Spin-1 Bose Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Boguslawski, Matthew; Hebbe Madhusudhana, Bharath; Anquez, Martin; Robbins, Bryce; Barrios, Maryrose; Hoang, Thai; Chapman, Michael

    2016-05-01

    A quantum phase transition (QPT) is observed in a wide range of phenomena. We have studied the dynamics of a spin-1 ferromagnetic Bose-Einstein condensate for both adiabatic and non-adiabatic quenches through a QPT. At the quantum critical point (QCP), finite size effects lead to a non-zero gap, which makes an adiabatic quench possible through the QPT. We experimentally demonstrate such a quench, which is forbidden at the mean field level. For faster quenches through the QCP, the vanishing energy gap causes the reaction timescale of the system to diverge, preventing the system from adiabatically following the ground state. We measure the temporal evolution of the spin populations for different quench speeds and determine the exponents characterizing the scaling of the onset of excitations, which are in good agreement with the predictions of Kibble-Zurek mechanism.

  19. Adiabatic burst evaporation from bicontinuous nanoporous membranes.

    PubMed

    Ichilmann, Sachar; Rücker, Kerstin; Haase, Markus; Enke, Dirk; Steinhart, Martin; Xue, Longjian

    2015-05-28

    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 10(7) μm(3) 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.

  20. Adiabatic circuits: converter for static CMOS signals

    NASA Astrophysics Data System (ADS)

    Fischer, J.; Amirante, E.; Bargagli-Stoffi, A.; Schmitt-Landsiedel, D.

    2003-05-01

    Ultra low power applications can take great advantages from adiabatic circuitry. In this technique a multiphase system is used which consists ideally of trapezoidal voltage signals. The input signals to be processed will often come from a function block realized in static CMOS. The static rectangular signals must be converted for the oscillating multiphase system of the adiabatic circuitry. This work shows how to convert the input signals to the proposed pulse form which is synchronized to the appropriate supply voltage. By means of adder structures designed for a 0.13µm technology in a 4-phase system there will be demonstrated, which additional circuits are necessary for the conversion. It must be taken into account whether the data arrive in parallel or serial form. Parallel data are all in one phase and therefore it is advantageous to use an adder structure with a proper input stage, e.g. a Carry Lookahead Adder (CLA). With a serial input stage it is possible to read and to process four signals during one cycle due to the adiabatic 4-phase system. Therefore input signals with a frequency four times higher than the adiabatic clock frequency can be used. This reduces the disadvantage of the slow clock period typical for adiabatic circuits. By means of an 8 bit Ripple Carry Adder (8 bit RCA) the serial reading will be introduced. If the word width is larger than 4 bits the word can be divided in 4 bit words which are processed in parallel. This is the most efficient way to minimize the number of input lines and pads. At the same time a high throughput is achieved.

  1. 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.

  2. Influence of disorder on the local density of states in high- T(c) superconducting thin films

    PubMed

    Cren; Roditchev; Sacks; Klein; Moussy; Deville-Cavellin; Lagues

    2000-01-03

    Using a low temperature scanning tunneling microscope in the spectroscopic mode, we find that the disorder in a Bi(2)Sr(2)CaCu(2)O(8+delta) thin film modifies dramatically the quasiparticle local density of states. Small, but well-defined superconducting regions, coexisting with dominating semiconducting areas, show well-pronounced gap structures, similar to those observed previously in high-quality single crystals. Surprisingly, between these two regions, the detailed shape of the quasiparticle spectrum is virtually identical to the pseudogap previously observed at temperatures T>T(c), or in the vortex core, at 4.2 K. Thus, the role of the disorder in destroying the superconducting phase is comparable to that of the magnetic field or thermal fluctuations.

  3. Local density of states, spectrum, and far-field interference of surface plasmon polaritons probed by cathodoluminescence

    SciTech Connect

    Kuttge, M.; Vesseur, E. J. R.; Koenderink, A. F.; Polman, A.; Lezec, H. J.; Atwater, H. A.; Garcia de Abajo, F. J.

    2009-03-15

    The surface plasmon polariton (SPP) field intensity in the vicinity of gratings patterned in an otherwise planar gold surface is spatially resolved using cathodoluminescence (CL). A detailed theoretical analysis is presented that successfully explains the measured CL signal based upon interference of transition radiation directly generated by electron impact and SPPs launched by the electron and outcoupled by the grating. The measured spectral dependence of the SPP yield per incoming electron is in excellent agreement with rigorous electromagnetic calculations. The CL emission is shown to be similar to that of a dipole oriented perpendicular to the surface and situated at the point of electron impact, which allows us to establish a solid connection between the CL signal and the photonic local density of states associated to the SPPs.

  4. 2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements

    NASA Astrophysics Data System (ADS)

    Lin, L.; Ding, W. X.; Brower, D. L.

    2014-11-01

    Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (˜1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ˜0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particle transport flux and its spatial distribution are resolved.

  5. 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.

  6. 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.

  7. Effect of Poisson noise on adiabatic quantum control

    NASA Astrophysics Data System (ADS)

    Kiely, A.; Muga, J. G.; Ruschhaupt, A.

    2017-01-01

    We present a detailed derivation of the master equation describing a general time-dependent quantum system with classical Poisson white noise and outline its various properties. We discuss the limiting cases of Poisson white noise and provide approximations for the different noise strength regimes. We show that using the eigenstates of the noise superoperator as a basis can be a useful way of expressing the master equation. Using this, we simulate various settings to illustrate different effects of Poisson noise. In particular, we show a dip in the fidelity as a function of noise strength where high fidelity can occur in the strong-noise regime for some cases. We also investigate recent claims [J. Jing et al., Phys. Rev. A 89, 032110 (2014), 10.1103/PhysRevA.89.032110] that this type of noise may improve rather than destroy adiabaticity.

  8. Quantum-Classical Correspondence of Shortcuts to Adiabaticity

    NASA Astrophysics Data System (ADS)

    Okuyama, Manaka; Takahashi, Kazutaka

    2017-04-01

    We formulate the theory of shortcuts to adiabaticity in classical mechanics. For a reference Hamiltonian, the counterdiabatic term is constructed from the dispersionless Korteweg-de Vries (KdV) hierarchy. Then the adiabatic theorem holds exactly for an arbitrary choice of time-dependent parameters. We use the Hamilton-Jacobi theory to define the generalized action. The action is independent of the history of the parameters and is directly related to the adiabatic invariant. The dispersionless KdV hierarchy is obtained from the classical limit of the KdV hierarchy for the quantum shortcuts to adiabaticity. This correspondence suggests some relation between the quantum and classical adiabatic theorems.

  9. The best of both Reps—Diabatized Gaussians on adiabatic surfaces

    NASA Astrophysics Data System (ADS)

    Meek, Garrett A.; Levine, Benjamin G.

    2016-11-01

    When simulating nonadiabatic molecular dynamics, choosing an electronic representation requires consideration of well-known trade-offs. The uniqueness and spatially local couplings of the adiabatic representation come at the expense of an electronic wave function that changes discontinuously with nuclear motion and associated singularities in the nonadiabatic coupling matrix elements. The quasi-diabatic representation offers a smoothly varying wave function and finite couplings, but identification of a globally well-behaved quasi-diabatic representation is a system-specific challenge. In this work, we introduce the diabatized Gaussians on adiabatic surfaces (DGAS) approximation, a variant of the ab initio multiple spawning (AIMS) method that preserves the advantages of both electronic representations while avoiding their respective pitfalls. The DGAS wave function is expanded in a basis of vibronic functions that are continuous in both electronic and nuclear coordinates, but potentially discontinuous in time. Because the time-dependent Schrödinger equation contains only first-order derivatives with respect to time, singularities in the second-derivative nonadiabatic coupling terms (i.e., diagonal Born-Oppenheimer correction; DBOC) at conical intersections are rigorously absent, though singular time-derivative couplings remain. Interpolation of the electronic wave function allows the accurate prediction of population transfer probabilities even in the presence of the remaining singularities. We compare DGAS calculations of the dynamics of photoexcited ethene to AIMS calculations performed in the adiabatic representation, including the DBOC. The 28 fs excited state lifetime observed in DGAS simulations is considerably shorter than the 50 fs lifetime observed in the adiabatic simulations. The slower decay in the adiabatic representation is attributable to the large, repulsive DBOC in the neighborhood of conical intersections. These repulsive DBOC terms are artifacts

  10. 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

  11. 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.

  12. Ramsey numbers and adiabatic quantum computing.

    PubMed

    Gaitan, Frank; Clark, Lane

    2012-01-06

    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.

  13. Comment on ``Adiabatic theory for the bipolaron''

    NASA Astrophysics Data System (ADS)

    Smondyrev, M. A.; Devreese, J. T.

    1996-05-01

    Comments are given on the application of the Bogoliubov-Tyablikov approach to the bipolaron problem in a recent paper by Lakhno [Phys. Rev. B 51, 3512 (1995)]. This author believes that his model (1) is the translation-invariant adiabatic theory of bipolarons and (2) gives asymptotically exact solutions in the adiabatic limit while the other approaches are considered as either phenomenological or variational in nature. Numerical results by Lakhno are in contradiction with all other papers published on the subject because his model leads to much lower energies. Thus, the author concludes that bipolarons ``are more stable than was considered before.'' We prove that both the analytical and the numerical results presented by Lakhno are wrong.

  14. 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.

  15. 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

  16. Adiabatic state preparation study of methylene

    SciTech Connect

    Veis, Libor Pittner, Jiří

    2014-06-07

    Quantum computers attract much attention as they promise to outperform their classical counterparts in solving certain type of problems. One of them with practical applications in quantum chemistry is simulation of complex quantum systems. An essential ingredient of efficient quantum simulation algorithms are initial guesses of the exact wave functions with high enough fidelity. As was proposed in Aspuru-Guzik et al. [Science 309, 1704 (2005)], the exact ground states can in principle be prepared by the adiabatic state preparation method. Here, we apply this approach to preparation of the lowest lying multireference singlet electronic state of methylene and numerically investigate preparation of this state at different molecular geometries. We then propose modifications that lead to speeding up the preparation process. Finally, we decompose the minimal adiabatic state preparation employing the direct mapping in terms of two-qubit interactions.

  17. Adiabatic invariance with first integrals of motion.

    PubMed

    Adib, Artur B

    2002-10-01

    The construction of a microthermodynamic formalism for isolated systems based on the concept of adiabatic invariance is an old but seldom appreciated effort in the literature, dating back at least to P. Hertz [Ann. Phys. (Leipzig) 33, 225 (1910)]. An apparently independent extension of such formalism for systems bearing additional first integrals of motion was recently proposed by Hans H. Rugh [Phys. Rev. E 64, 055101 (2001)], establishing the concept of adiabatic invariance even in such singular cases. After some remarks in connection with the formalism pioneered by Hertz, it will be suggested that such an extension can incidentally explain the success of a dynamical method for computing the entropy of classical interacting fluids, at least in some potential applications where the presence of additional first integrals cannot be ignored.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. Adiabatic Quantum Simulation of Quantum Chemistry

    PubMed Central

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

    2014-01-01

    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. PMID:25308187

  3. 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.

  4. Aspects of adiabatic population transfer and control

    NASA Astrophysics Data System (ADS)

    Demirplak, Mustafa

    This thesis explores two different questions. The first question we answer is how to restore a given population transfer scenario given that it works efficiently in the adiabatic limit but fails because of lack of intensity and/or short duration. We derive a very simple algorithm to do this and apply it to both toy and realistic models. Two results emerge from this study. While the mathematical existence of the programme is certain it might not always be physically desirable. The restoration of adiabaticity is phase sensitive. The second question that is answered in this thesis is not how to invent new control paradigms, but rather what would happen to them in the presence of stochastic perturbers. We first use a phenomenological model to study the effect of stochastic dephasing on population transfer by stimulated Raman adiabatic passage. The results of this Monte Carlo calculation are qualitatively explained with a perturbation theoretical result in the dressed state basis. The reliability of our phenomenological model is questioned through a more rigorous hybrid quantal-classical simulation of controlled population transfer in HCl in Ar.

  5. Adiabatic graph-state quantum computation

    NASA Astrophysics Data System (ADS)

    Antonio, B.; Markham, D.; Anders, J.

    2014-11-01

    Measurement-based quantum computation (MBQC) and holonomic quantum computation (HQC) are two very different computational methods. The computation in MBQC is driven by adaptive measurements executed in a particular order on a large entangled state. In contrast in HQC the system starts in the ground subspace of a Hamiltonian which is slowly changed such that a transformation occurs within the subspace. Following the approach of Bacon and Flammia, we show that any MBQC on a graph state with generalized flow (gflow) can be converted into an adiabatically driven holonomic computation, which we call adiabatic graph-state quantum computation (AGQC). We then investigate how properties of AGQC relate to the properties of MBQC, such as computational depth. We identify a trade-off that can be made between the number of adiabatic steps in AGQC and the norm of \\dot{H} as well as the degree of H, in analogy to the trade-off between the number of measurements and classical post-processing seen in MBQC. Finally the effects of performing AGQC with orderings that differ from standard MBQC are investigated.

  6. 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.

  7. Improved generalized gradient approximation for positron states in solids

    NASA Astrophysics Data System (ADS)

    Kuriplach, Jan; Barbiellini, Bernardo

    2014-04-01

    Several first-principles calculations of positron-annihilation characteristics in solids have added gradient corrections to the local-density approximation within the theory by Arponen and Pajanne [Ann. Phys. (NY) 121, 343 (1979), 10.1016/0003-4916(79)90101-5] since this theory systematically overestimates the annihilation rates. As a further remedy, we propose to use gradient corrections for other local-density approximation schemes based on perturbed hypernetted chain and on quantum Monte Carlo results. Our calculations for various metals and semiconductors show that the proposed schemes generally improve the positron lifetimes when they are confronted with experiment. We also compare the resulting positron affinities in solids with data from slow-positron measurements.

  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. Local density of electromagnetic states in plasmonic nanotapers: spatial resolution limits with nitrogen-vacancy centers in diamond nanospheres.

    PubMed

    Salas-Montiel, Rafael; Berthel, Martin; Beltrán-Madrigal, Josslyn; Huant, Serge; Drezet, Aurélien; Blaize, Sylvain

    2017-03-21

    One of the most explored single quantum emitters for the development of nanoscale fluorescence lifetime imaging is the nitrogen-vacancy (NV) color center in diamond. Indeed, a NV center does not experience fluorescence bleaching and blinking at room temperature. Furthermore, its optical properties are preserved when embedded into nanodiamond hosts. This letter focuses on the modeling of the local density of states (LDOS) in a plasmonic nanofocusing structure with NV center acting as local illumination sources. Numerical calculations of the LDOS near such nanostructure were done with a classical electric dipole radiation placed inside a diamond sphere as well as near-field optical fluorescence lifetime imaging of the structure. We found that Purcell factors higher than 10 can be reached with diamond nanospheres of radius less than 5 nm and at a distance of less than 20 nm from the surface of the structure. Although the spatial resolution of the experiment is limited by the size of the nanodiamond, our work supports the analysis and interpretation of single NV color center in nanodiamond as a probe for scanning near-field optical microscopy.

  10. 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

    2006-11-07

    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.

  11. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

    NASA Astrophysics Data System (ADS)

    Zhao, Yan; Truhlar, Donald G.

    2006-11-01

    We present a new local density functional, called M06-L, for main-group and transition element thermochemistry, thermochemical kinetics, and noncovalent interactions. The functional is designed to capture the main dependence of the exchange-correlation energy on local spin density, spin density gradient, and spin kinetic energy density, and it is parametrized to satisfy the uniform-electron-gas limit and to have good performance for both main-group chemistry and transition metal chemistry. The M06-L functional and 14 other functionals have been comparatively assessed against 22 energetic databases. Among the tested functionals, which include the popular B3LYP, BLYP, and BP86 functionals as well as our previous M05 functional, the M06-L functional gives the best overall performance for a combination of main-group thermochemistry, thermochemical kinetics, and organometallic, inorganometallic, biological, and noncovalent interactions. It also does very well for predicting geometries and vibrational frequencies. Because of the computational advantages of local functionals, the present functional should be very useful for many applications in chemistry, especially for simulations on moderate-sized and large systems and when long time scales must be addressed.

  12. Time-resolved cathodoluminescence microscopy with sub-nanosecond beam blanking for direct evaluation of the local density of states.

    PubMed

    Moerland, Robert J; Weppelman, I Gerward C; Garming, Mathijs W H; Kruit, Pieter; Hoogenboom, Jacob P

    2016-10-17

    We show cathodoluminescence-based time-resolved electron beam spectroscopy in order to directly probe the spontaneous emission decay rate that is modified by the local density of states in a nanoscale environment. In contrast to dedicated laser-triggered electron-microscopy setups, we use commercial hardware in a standard SEM, which allows us to easily switch from pulsed to continuous operation of the SEM. Electron pulses of 80-90 ps duration are generated by conjugate blanking of a high-brightness electron beam, which allows probing emitters within a large range of decay rates. Moreover, we simultaneously attain a resolution better than λ/10, which ensures details at deep-subwavelength scales can be retrieved. As a proof-of-principle, we employ the pulsed electron beam to spatially measure excited-state lifetime modifications in a phosphor material across the edge of an aluminum half-plane, coated on top of the phosphor. The measured emission dynamics can be directly related to the structure of the sample by recording photon arrival histograms together with the secondary-electron signal. Our results show that time-resolved electron cathodoluminescence spectroscopy is a powerful tool of choice for nanophotonics, within reach of a large audience.

  13. 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.

  14. 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.

  15. Quantized adiabatic transport in momentum space.

    PubMed

    Ho, Derek Y H; Gong, Jiangbin

    2012-07-06

    Though topological aspects of energy bands are known to play a key role in quantum transport in solid-state systems, the implications of Floquet band topology for transport in momentum space (i.e., acceleration) have not been explored so far. Using a ratchet accelerator model inspired by existing cold-atom experiments, here we characterize a class of extended Floquet bands of one-dimensional driven quantum systems by Chern numbers, reveal topological phase transitions therein, and theoretically predict the quantization of adiabatic transport in momentum space. Numerical results confirm our theory and indicate the feasibility of experimental studies.

  16. Adiabatic demagnetization refrigerator for space use

    NASA Technical Reports Server (NTRS)

    Serlemitsos, A. T.; Warner, B. A.; Castles, S.; Breon, S. R.; San Sebastian, M.; Hait, T.

    1990-01-01

    An Adiabatic Demagnetization Refrigerator (ADR) for space use is under development at NASA's Goddard Space Flight Center (GSFC). The breadboard ADR operated at 100 mK for 400 minutes. Some significant changes to that ADR, designed to eliminate shortcomings revealed during tests, are reported. To increase thermal contact, the ferric ammonium sulfate crystals were grown directly on gold-plated copper wires which serve as the thermal bus. The thermal link to the X-ray sensors was also markedly improved. To speed up the testing required to determine the best design parameters for the gas gap heat switch, the new heat switch has a modular design and is easy to disassemble.

  17. Shortcuts to adiabaticity for quantum annealing

    NASA Astrophysics Data System (ADS)

    Takahashi, Kazutaka

    2017-01-01

    We study the Ising Hamiltonian with a transverse field term to simulate the quantum annealing. Using shortcuts to adiabaticity, we design the time dependence of the Hamiltonian. The dynamical invariant is obtained by the mean-field ansatz, and the Hamiltonian is designed by the inverse engineering. We show that the time dependence of physical quantities such as the magnetization is independent of the speed of the Hamiltonian variation in the infinite-range model. We also show that rotating transverse magnetic fields are useful to achieve the ideal time evolution.

  18. 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.

  19. Decoherence in a scalable adiabatic quantum computer

    SciTech Connect

    Ashhab, S.; Johansson, J. R.; Nori, Franco

    2006-11-15

    We consider the effects of decoherence on Landau-Zener crossings encountered in a large-scale adiabatic-quantum-computing setup. We analyze the dependence of the success probability--i.e., the probability for the system to end up in its new ground state--on the noise amplitude and correlation time. We determine the optimal sweep rate that is required to maximize the success probability. We then discuss the scaling of decoherence effects with increasing system size. We find that those effects can be important for large systems, even if they are small for each of the small building blocks.

  20. 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.

  1. 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.

  2. Generating shortcuts to adiabaticity in quantum and classical dynamics

    NASA Astrophysics Data System (ADS)

    Jarzynski, Christopher

    2013-10-01

    Transitionless quantum driving achieves adiabatic evolution in a hurry, using a counterdiabatic Hamiltonian to stifle nonadiabatic transitions. Here this shortcut to adiabaticity is cast in terms of a generator of adiabatic transport. This yields a classical analog of transitionless driving, and provides a strategy for constructing quantal counterdiabatic Hamiltonians. As an application of this framework, exact classical and quantal counterdiabatic terms are obtained for a particle in a box and for even-power-law potentials in one degree of freedom.

  3. Numerical simulations of solar spicules: Adiabatic and non-adiabatic studies

    NASA Astrophysics Data System (ADS)

    Kuźma, B.; Murawski, K.; Zaqarashvili, T. V.; Konkol, P.; Mignone, A.

    2017-01-01

    Aims: We aim to study the formation and evolution of solar spicules using numerical simulations of a vertical velocity pulse that is launched from the upper chromosphere. Methods: With the use of the PLUTO code, we numerically solved adiabatic and non-adiabatic magnetohydrodynamic (MHD) equations in 2D cylindrical geometry. We followed the evolution of spicules triggered by pulses that are launched in a vertical velocity component from the upper chromosphere. Then we compared the results obtained with and without non-adiabatic terms in the MHD equations. Results: Our numerical results reveal that the velocity pulse is steepened into a shock that propagates upward into the corona. The chromospheric cold and dense plasma follows the shock and rises into the corona with the mean speed of 20-25 km s-1. The nonlinear wake behind the pulse in the stratified atmosphere leads to quasi-periodic rebound shocks, which lead to quasi-periodic rising of chromospheric plasma into the corona with a period close to the acoustic cut-off period of the chromosphere. We found that the effect of non-adiabatic terms on spicule evolution is minor; the general properties of spicules such as their heights and rising-time remain slightly affected by these terms. Conclusions: In the framework of the axisymmetric model we devised, we show that the solar spicules can be triggered by the vertical velocity pulses, and thermal conduction and radiative cooling terms do not exert any significant influence on the dynamics of these spicules.

  4. Investigation of the local density of states in self-assembled GeSi/Si(001) nanoislands by combined scanning tunneling and atomic-force microscopy

    SciTech Connect

    Borodin, P. A.; Bukharaev, A. A.; Filatov, D. O. Isakov, M. A.; Shengurov, V. G.; Chalkov, V. Yu.; Denisov, Yu. A.

    2011-03-15

    The local density of states in self-assembled GeSi/Si(001) nanoislands is investigated for the first time by combined tunneling and atomic-force scanning microscopy. Current images and tunneling spectra of individual GeSi/Si(001) islands are obtained. These measurements yield the spatial and energy distributions of the local density of states in GeSi islands, respectively. The tunneling spectroscopy data demonstrate that uncapped Ge{sub 0.3}Si{sub 0.7}/Si(001) islands behave as type-I heterostructures.

  5. On the Role of Prior Probability in Adiabatic Quantum Algorithms

    NASA Astrophysics Data System (ADS)

    Sun, Jie; Lu, Songfeng; Yang, Liping

    2016-03-01

    In this paper, we study the role of prior probability on the efficiency of quantum local adiabatic search algorithm. The following aspects for prior probability are found here: firstly, only the probabilities of marked states affect the running time of the adiabatic evolution; secondly, the prior probability can be used for improving the efficiency of the adiabatic algorithm; thirdly, like the usual quantum adiabatic evolution, the running time for the case of multiple solution states where the number of marked elements are smaller enough than the size of the set assigned that contains them can be significantly bigger than that of the case where the assigned set only contains all the marked states.

  6. Adiabatic following for a three-state quantum system

    NASA Astrophysics Data System (ADS)

    Huang, Wei; Shore, Bruce W.; Rangelov, Andon; Kyoseva, Elica

    2017-01-01

    Adiabatic time-evolution - found in various forms of adiabatic following and adiabatic passage - is often advantageous for controlled manipulation of quantum systems due to its insensitivity to deviations in the pulse shapes and timings. In this paper we discuss controlled adiabatic evolution of a three-state quantum system, a natural advance to the widespread use of two-state systems in numerous contemporary applications. We discuss, and illustrate, not only possibilities for population transfer but also for creating, with prescribed relative phase, 50:50 superpositions of two Zeeman sublevels in a letter-vee coupling linkage.

  7. 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.

  8. The genesis of adiabatic shear bands

    PubMed Central

    Landau, P.; Osovski, S.; Venkert, A.; Gärtnerová, V.; Rittel, D.

    2016-01-01

    Adiabatic shear banding (ASB) is a unique dynamic failure mechanism that results in an unpredicted catastrophic failure due to a concentrated shear deformation mode. It is universally considered as a material or structural instability and as such, ASB is hardly controllable or predictable to some extent. ASB is modeled on the premise of stability analyses. The leading paradigm is that a competition between strain (rate) hardening and thermal softening determines the onset of the failure. It was recently shown that microstructural softening transformations, such as dynamic recrystallization, are responsible for adiabatic shear failure. These are dictated by the stored energy of cold work, so that energy considerations can be used to macroscopically model the failure mechanism. The initial mechanisms that lead to final failure are still unknown, as well as the ASB formation mechanism(s). Most of all - is ASB an abrupt instability or rather a gradual transition as would be dictated by microstructural evolutions? This paper reports thorough microstructural characterizations that clearly show the gradual character of the phenomenon, best described as a nucleation and growth failure mechanism, and not as an abrupt instability as previously thought. These observations are coupled to a simple numerical model that illustrates them. PMID:27849023

  9. The formation of multiple adiabatic shear bands

    NASA Astrophysics Data System (ADS)

    Zhou, F.; Wright, T. W.; Ramesh, K. T.

    2006-07-01

    In a previous paper, Zhou et al. [2006. A numerical methodology for investigating adiabatic shear band formation. J. Mech. Phys. Solids, 54, 904-926] developed a numerical method for analyzing one-dimensional deformation of thermoviscoplastic materials. The method uses a second order algorithm for integration along characteristic lines, and computes the plastic flow after complete localization with high resolution and efficiency. We apply this numerical scheme to analyze localization in a thermoviscoplastic material where multiple shear bands are allowed to form at random locations in a large specimen. As a shear band develops, it unloads neighboring regions and interacts with other bands. Beginning with a random distribution of imperfections, which might be imagined as arising qualitatively from the microstructure, we obtain the average spacing of shear bands through calculations and compare our results with previously existing theoretical estimates. It is found that the spacing between nucleating shear bands follows the perturbation theory due to Wright and Ockendon [1996. A scaling law for the effect of inertia on the formation of adiabatic shear bands. Int. J. Plasticity 12, 927-934], whereas the spacing between mature shear bands is closer to that predicted by the momentum diffusion theory of Grady and Kipp [1987. The growth of unstable thermoplastic shear with application to steady-wave shock compression in solids. J. Mech. Phys. Solids 35, 95-119]. Scaling laws for the dependence of band spacing on material parameters differ in many respects from either theory.

  10. 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.

  11. Non-adiabatic Rayleigh-Taylor instability

    NASA Astrophysics Data System (ADS)

    Canfield, Jesse; Denissen, Nicholas; Reisner, Jon

    2016-11-01

    Onset of Rayleigh-Taylor instability (RTI) in a non-adiabatic environment is investigated with the multi-physics numerical model, FLAG. This work was inspired by laboratory experiments of non-adiabatic RTI, where a glass vessel with a layer of tetrahyrdofuran (THF) below a layer of toluene was placed inside a microwave. THF, a polar solvent, readily absorbs electromagnetic energy from microwaves. Toluene, a non-polar solvent, is nearly transparent to microwave heating. The presence of a heat source in the THF layer produced convection and a time-dependent Atwood number (At). The system, initially in stable hydrostatic equilibrium At < 0 , was set into motion by microwave induced, volumetric heating of the THF. The point when At > 0 , indicates that the system is RTI unstable. The observed dominant mode at the onset of RTI was the horizontal length scale of the vessel. This scale is contrary to classical RTI, where the modes start small and increases in scale with time. It is shown that the dominant RTI mode observed in the experiments was determined by the THF length scale prior to RTI. The dominant length scale transitions from the THF to the toluene via the updrafts and downdrafts in the convective cells. This happens when At passes from negative to positive. This work was funded by the Advanced Simulation and Computing Program.

  12. Field-effect modulation of the local density of optical states in a reflectarray metasurface (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Kafaie Shirmanesh, Ghazaleh; Sokhoyan, Ruzan; Han, Seunghoon; Atwater, Harry A.

    2016-09-01

    During recent years, advances in the design of arrays of subwavelength optical elements with special electromagnetic properties have enabled quasi two-dimensional structures that control and manipulate electromagnetic phase, amplitude and polarization. Active control of the response of metasurfaces is possible using transparent conducting oxides such as Indium Tin Oxide (ITO) as a tunable active material [1]. Changing the complex permittivity of ITO by applying a voltage yields modulation of reflected wave phase and amplitude. To achieve this, we designed subwavelength antenna arrays consisting of a gold back reflector and gold fishbone antennas. Planar dielectric layers containing a gate tunable layer of ITO are sandwiched between the back reflector and the antenna. The obtained structure shows resonance around 1.5 µm. As a result, based on the 1.54 µm photoluminescence emission of Er doped Al2O3 films, we embedded trivalent erbium ions as quantum emitters inside an alumina host within the metasurface in order to enhance the local density of optical states (LDOS). Simulations indicate the designed structure shows a significant LDOS enhancement (of order of hundreds). By applying a bias between the antenna and the ITO layer, across an HfO2 gate dielectric, we can control the permittivity of ITO and hence dynamically modulate the decay rate of quantum emitters embedded within the structure. In this way, we can achieve LDOS enhancement modulation of about 325%. 1. Y. W Huang, H. W. H. Lee, R. Sokhoyan, R. Pala, K. Thyagarajan, S. Han, D. P. Tsai, H. A. Atwater, "Gate-tunable conducting oxide metasurfaces". (arXiv:1511.09380).

  13. Local density effects on individual production are dynamic: insights from natural stands of a perennial savanna grass.

    PubMed

    Zimmermann, Julia; Higgins, Steven I; Grimm, Volker; Hoffmann, John; Linstädter, Anja

    2015-08-01

    Perennial grasses are a dominant component of grasslands, and provide important ecosystem services. However, most knowledge of grasslands' functioning and production comes from plot-level studies, and drivers of individual-level production remain poorly explored. Extrapolation from existing experiments is hampered by the fact that these are mostly concentrated on even-aged cohorts, and/or on the early stages of a plant's life cycle. Here we explored how local density regulates individual production in mono-specific natural grassland, focusing on adult individuals of a perennial savanna grass (Stipagrostis uniplumis). We found individual production to increase with individuals' size, but to decrease with neighbour abundance. A metric of neighbour abundance that considered size was superior to a metric based solely on the number of individuals. This finding is particularly important for studying competitive effects in natural populations, where plants are normally not even-sized. The inferred competition kernel, i.e. the function describing how competitive strength varies with spatial distance from a target plant, was hump-shaped, indicating strongest intraspecific competition at intermediate distances (10-30 cm). The spatial signature of competitive effects changed with time since fire; peak effects moved successively away from the target plant. Our results suggest that inferred competition kernels of long-lived plant populations may have shapes that differ from exponential or sigmoidal decreases. More generally, results underline that competition among neighbouring plants is dynamic. Studies that address density-dependent and density-independent (fire-related) population dynamics of perennial grasses in their fire-prone environment may thus shed new light on the functioning and production of grasslands.

  14. 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

    2016-06-22

    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.

  15. 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

  16. Adiabatic effects of electrons and ions on electro-acoustic solitary waves in an adiabatic dusty plasma

    NASA Astrophysics Data System (ADS)

    Tanjia, Fatema; Mamun, A. A.

    2009-02-01

    A dusty plasma consisting of negatively charged cold dust, adiabatic hot ions, and inertia-less adiabatic hot electrons has been considered. The adiabatic effects of electrons and ions on the basic properties of electro-acoustic solitary waves associated with different types of electro-acoustic (viz. ion-acoustic (IA), dust ion-acoustic (DIA), and dust acoustic (DA)) waves are thoroughly investigated by the reductive perturbation method. It is found that the basic properties of the IA, DIA, and DA waves are significantly modified by the adiabatic effects of ions and inertia-less electrons. The implications of our results in space and laboratory dusty plasmas are briefly discussed.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

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

    PubMed

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

    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.

  3. 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.

  4. Plasma Radiation Sources. Quasi-Adiabatic Theory and Numerical Modeling in the Electro-Diffusive Approximation.

    DTIC Science & Technology

    1984-07-16

    Plasmas," JAYCOR Report J207-81-004, January, 1981 . 6. R. PoI, D. Fisher, T. Wilcox , S. Wong, H. Sze, L. Deraad anld W. Tsai, "Experiments on, Multiple...step with this are both r 2E and r at -0.52 cm (in from -0.66 cm thisare oth / ndE 1/20 at 2.48 ns) and the velocity profile for r>0.5245 cm is

  5. 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.

  6. A Modified Adiabatic Quantum Algorithm for Evaluation of Boolean Functions

    NASA Astrophysics Data System (ADS)

    Sun, Jie; Lu, Songfeng; Liu, Fang

    2015-09-01

    In this paper, we propose a modified construction of the quantum adiabatic algorithm for Boolean functions studied by M. Andrecut et al. [13, 14]. Our algorithm has the time complexity O(1) for the evaluation of Boolean functions, without additional computational cost of implementing the driving Hamiltonian, which is required by the adiabatic evolution described in [13, 14].

  7. 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.

  8. 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…

  9. 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)

  10. 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.

  11. 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.

  12. The HAWC and SAFIRE Adiabatic Demagnetization Refrigerators

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  13. 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. An adiabatic demagnetization refrigerator for SIRTF

    NASA Astrophysics Data System (ADS)

    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). 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.

  15. Design of a spaceworthy adiabatic demagnetization refrigerator

    NASA Astrophysics Data System (ADS)

    Serlemitsos, A. T.; Kunes, E.; Sansebastian, M.

    A spaceworthy adiabatic demagnetization refrigerator (ADR) under development at NASA-Goddard is presented. A baseline model heat switch was tested extensively with an on/off ratio of about 10,000 and a parasitic heat leak of 10 micro-W. Data obtained from the breadboard models were used to design an ADR with improved structural integrity. The core of the ADR is the salt pill which consists of the paramagnetic salt crystal and the thermal bus. When a magnetic field is applied to the salt it forces the alignment of the magnetic moments, thereby decreasing the entropy of the salt. Preliminary tests results showed a net crystal mass of 680 g instead of the expected 740 g, which indicate that there are gaps in the salt pill. A partial fix was accomplished by sealing helium gas in the salt pill at a pressure of 2 bar, which improved the thermal contact during salt magnetization, at about 2 K.

  16. On stress collapse in adiabatic shear bands

    NASA Astrophysics Data System (ADS)

    Wright, T. W.; Walter, J. W.

    T HE DYNAMICS of adiabatic shear band formation is considered making use of a simplified thermo/visco/plastic flow law. A new numerical solution is used to follow the growth of a perturbation from initiation, through early growth and severe localization, to a slowly varying terminal configuration. Asymptotic analyses predict the early and late stage patterns, but the timing and structure of the abrupt transition to severe localization can only be studied numerically, to date. A characteristic feature of the process is that temperature and plastic strain rate begin to localize immediately, but only slowly, whereas the stress first evolves almost as if there were no perturbation, but then collapses rapidly when severe localization occurs.

  17. Index Theory and Adiabatic Limit in QFT

    NASA Astrophysics Data System (ADS)

    Wawrzycki, Jarosław

    2013-08-01

    The paper has the form of a proposal concerned with the relationship between the three mathematically rigorous approaches to quantum field theory: (1) local algebraic formulation of Haag, (2) Wightman formulation and (3) the perturbative formulation based on the microlocal renormalization method. In this project we investigate the relationship between (1) and (3) and utilize the known relationships between (1) and (2). The main goal of the proposal lies in obtaining obstructions for the existence of the adiabatic limit ( confinement problem in the phenomenological standard model approach). We extend the method of deformation of Dütsch and Fredenhagen (in the Bordeman-Waldmann sense) and apply Fedosov construction of the formal index—an analog of the index for deformed symplectic manifolds, generalizing the Atiyah-Singer index. We present some first steps in realization of the proposal.

  18. 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.

  19. Design of a spaceworthy adiabatic demagnetization refrigerator

    NASA Technical Reports Server (NTRS)

    Serlemitsos, A. T.; Kunes, E.; Sansebastian, M.

    1992-01-01

    A spaceworthy adiabatic demagnetization refrigerator (ADR) under development at NASA-Goddard is presented. A baseline model heat switch was tested extensively with an on/off ratio of about 10,000 and a parasitic heat leak of 10 micro-W. Data obtained from the breadboard models were used to design an ADR with improved structural integrity. The core of the ADR is the salt pill which consists of the paramagnetic salt crystal and the thermal bus. When a magnetic field is applied to the salt it forces the alignment of the magnetic moments, thereby decreasing the entropy of the salt. Preliminary tests results showed a net crystal mass of 680 g instead of the expected 740 g, which indicate that there are gaps in the salt pill. A partial fix was accomplished by sealing helium gas in the salt pill at a pressure of 2 bar, which improved the thermal contact during salt magnetization, at about 2 K.

  20. 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.

  1. Adiabatic theory for anisotropic cold molecule collisions

    SciTech Connect

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

    2015-08-21

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

  2. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

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

  4. Adiabatic theory, Liapunov exponents, and rotation number for quadratic Hamiltonians

    NASA Astrophysics Data System (ADS)

    Delyon, François; Foulon, Patrick

    1987-11-01

    We consider the adiabatic problem for general time-dependent quadratic Hamiltonians and develop a method quite different from WKB. In particular, we apply our results to the Schrödinger equation in a strip. We show that there exists a first regular step (avoiding resonance problems) providing one adiabatic invariant, bounds on the Liapunov exponents, and estimates on the rotation number at any order of the perturbation theory. The further step is shown to be equivalent to a quantum adiabatic problem, which, by the usual adiabatic techniques, provides the other possible adiabatic invariants. In the special case of the Schrödinger equation our method is simpler and more powerful than the WKB techniques.

  5. 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.

  6. Energy decomposition analysis in an adiabatic picture.

    PubMed

    Mao, Yuezhi; Horn, Paul R; Head-Gordon, Martin

    2017-02-22

    Energy decomposition analysis (EDA) of electronic structure calculations has facilitated quantitative understanding of diverse intermolecular interactions. Nevertheless, such analyses are usually performed at a single geometry and thus decompose a "single-point" interaction energy. As a result, the influence of the physically meaningful EDA components on the molecular structure and other properties are not directly obtained. To address this gap, the absolutely localized molecular orbital (ALMO)-EDA is reformulated in an adiabatic picture, where the frozen, polarization, and charge transfer energy contributions are defined as energy differences between the stationary points on different potential energy surfaces (PESs), which are accessed by geometry optimizations at the frozen, polarized and fully relaxed levels of density functional theory (DFT). Other molecular properties such as vibrational frequencies can thus be obtained at the stationary points on each PES. We apply the adiabatic ALMO-EDA to different configurations of the water dimer, the water-Cl(-) and water-Mg(2+)/Ca(2+) complexes, metallocenes (Fe(2+), Ni(2+), Cu(2+), Zn(2+)), and the ammonia-borane complex. This method appears to be very useful for unraveling how physical effects such as polarization and charge transfer modulate changes in molecular properties induced by intermolecular interactions. As an example of the insight obtained, we find that a linear hydrogen bond geometry for the water dimer is preferred even without the presence of polarization and charge transfer, while the red shift in the OH stretch frequency is primarily a charge transfer effect; by contrast, a near-linear geometry for the water-chloride hydrogen bond is achieved only when charge transfer is allowed.

  7. 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.

  8. Thermodynamic and spectral properties of adiabatic Peierls chains

    NASA Astrophysics Data System (ADS)

    Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin

    2016-10-01

    We present exact numerical results for the effects of thermal fluctuations on the experimentally relevant thermodynamic and spectral properties of Peierls chains. To this end, a combination of classical Monte Carlo sampling and exact diagonalization is used to study adiabatic half-filled Holstein and Su-Schrieffer-Heeger models. The classical nature of the lattice displacements in combination with parallel tempering permit simulations on large system sizes and a direct calculation of spectral functions in the frequency domain. Most notably, the long-range order and the associated Peierls gap give rise to a distinct low-temperature peak in the specific heat. The closing of the gap and suppression of order by thermal fluctuations involves in-gap excitations in the form of soliton-antisoliton pairs and is also reflected in the dynamic density and bond structure factors as well as in the optical conductivity. We compare our data to the widely used mean-field approximation and highlight relations to symmetry-protected topological phases and disorder problems.

  9. 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.

  10. On the General Class of Models of Adiabatic Evolution

    NASA Astrophysics Data System (ADS)

    Sun, Jie; Lu, Songfeng; Liu, Fang

    2016-10-01

    The general class of models of adiabatic evolution was proposed to speed up the usual adiabatic computation in the case of quantum search problem. It was shown [8] that, by temporarily increasing the ground state energy of a time-dependent Hamiltonian to a suitable quantity, the quantum computation can perform the calculation in time complexity O(1). But it is also known that if the overlap between the initial and final states of the system is zero, then the computation based on the generalized models of adiabatic evolution can break down completely. In this paper, we find another severe limitation for this class of adiabatic evolution-based algorithms, which should be taken into account in applications. That is, it is still possible that this kind of evolution designed to deal with the quantum search problem fails completely if the interpolating paths in the system Hamiltonian are chosen inappropriately, while the usual adiabatic evolutions can do the same job relatively effectively. This implies that it is not always recommendable to use nonlinear paths in adiabatic computation. On the contrary, the usual simple adiabatic evolution may be sufficient for effective use.

  11. 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.

  12. Non-adiabatic perturbations in Ricci dark energy model

    SciTech Connect

    Karwan, Khamphee; Thitapura, Thiti E-mail: nanodsci2523@hotmail.com

    2012-01-01

    We show that the non-adiabatic perturbations between Ricci dark energy and matter can grow both on superhorizon and subhorizon scales, and these non-adiabatic perturbations on subhorizon scales can lead to instability in this dark energy model. The rapidly growing non-adiabatic modes on subhorizon scales always occur when the equation of state parameter of dark energy starts to drop towards -1 near the end of matter era, except that the parameter α of Ricci dark energy equals to 1/2. In the case where α = 1/2, the rapidly growing non-adiabatic modes disappear when the perturbations in dark energy and matter are adiabatic initially. However, an adiabaticity between dark energy and matter perturbations at early time implies a non-adiabaticity between matter and radiation, this can influence the ordinary Sachs-Wolfe (OSW) effect. Since the amount of Ricci dark energy is not small during matter domination, the integrated Sachs-Wolfe (ISW) effect is greatly modified by density perturbations of dark energy, leading to a wrong shape of CMB power spectrum. The instability in Ricci dark energy is difficult to be alleviated if the effects of coupling between baryon and photon on dark energy perturbations are included.

  13. 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.

  14. Dynamics of Charged Particles in an Adiabatic Thermal Beam Equilibrium

    NASA Astrophysics Data System (ADS)

    Chen, Chiping; Wei, Haofei

    2010-11-01

    Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV)-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.

  15. Adiabatic quantum algorithm for search engine ranking.

    PubMed

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

    2012-06-08

    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.

  16. Adiabatic Quantum Algorithm for Search Engine Ranking

    NASA Astrophysics Data System (ADS)

    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.

  17. 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.

  18. Adiabatic Spin Pumping with Quantum Dots

    NASA Astrophysics Data System (ADS)

    Mucciolo, Eduardo R.

    Electronic transport in mesoscopic systems has been intensively studied for more the last three decades. While there is a substantial understanding of the stationary regime, much less is know about phase-coherent nonequilibrium transport when pulses or ac perturbations are used to drive electrons at low temperatures and at small length scales. However, about 20 years ago Thouless proposed to drive nondissipative currents in quantum systems by applying simultaneously two phase-locked external perturbations. The so-called adiabatic pumping mechanism has been revived in the last few years, both theoretically and experimentally, in part because of the development of lateral semiconductor quantum dots. Here we will explain how open dots can be used to create spin-polarized currents with little or no net charge transfer. The pure spin pump we propose is the analog of a charge battery in conventional electronics and may provide a needed circuit element for spin-based electronics. We will also discuss other relevant issues such as rectification and decoherence and point out possible extensions of the mechanism to closed dots.

  19. Interpolation and Approximation Theory.

    ERIC Educational Resources Information Center

    Kaijser, Sten

    1991-01-01

    Introduced are the basic ideas of interpolation and approximation theory through a combination of theory and exercises written for extramural education at the university level. Topics treated are spline methods, Lagrange interpolation, trigonometric approximation, Fourier series, and polynomial approximation. (MDH)

  20. Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation.

    PubMed

    Huo, Pengfei; Coker, David F

    2012-12-14

    Powerful approximate methods for propagating the density matrix of complex systems that are conveniently described in terms of electronic subsystem states and nuclear degrees of freedom have recently been developed that involve linearizing the density matrix propagator in the difference between the forward and backward paths of the nuclear degrees of freedom while keeping the interference effects between the different forward and backward paths of the electronic subsystem described in terms of the mapping Hamiltonian formalism and semi-classical mechanics. Here we demonstrate that different approaches to developing the linearized approximation to the density matrix propagator can yield a mean-field like approximate propagator in which the nuclear variables evolve classically subject to Ehrenfest-like forces that involve an average over quantum subsystem states, and by adopting an alternative approach to linearizing we obtain an algorithm that involves classical like nuclear dynamics influenced by a quantum subsystem state dependent force reminiscent of trajectory surface hopping methods. We show how these different short time approximations can be implemented iteratively to achieve accurate, stable long time propagation and explore their implementation in different representations. The merits of the different approximate quantum dynamics methods that are thus consistently derived from the density matrix propagator starting point and different partial linearization approximations are explored in various model system studies of multi-state scattering problems and dissipative non-adiabatic relaxation in condensed phase environments that demonstrate the capabilities of these different types of approximations for treating non-adiabatic electronic relaxation, bifurcation of nuclear distributions, and the passage from nonequilibrium coherent dynamics at short times to long time thermal equilibration in the presence of a model dissipative environment.

  1. Acceleration of adiabatic quantum dynamics in electromagnetic fields

    SciTech Connect

    Masuda, Shumpei; Nakamura, Katsuhiro

    2011-10-15

    We show a method to accelerate quantum adiabatic dynamics of wave functions under electromagnetic field (EMF) by developing the preceding theory [Masuda and Nakamura, Proc. R. Soc. London Ser. A 466, 1135 (2010)]. Treating the orbital dynamics of a charged particle in EMF, we derive the driving field which accelerates quantum adiabatic dynamics in order to obtain the final adiabatic states in any desired short time. The scheme is consolidated by describing a way to overcome possible singularities in both the additional phase and driving potential due to nodes proper to wave functions under EMF. As explicit examples, we exhibit the fast forward of adiabatic squeezing and transport of excited Landau states with nonzero angular momentum, obtaining the result consistent with the transitionless quantum driving applied to the orbital dynamics in EMF.

  2. Adiabatic shear bands localization in materials undergoing deformations

    NASA Astrophysics Data System (ADS)

    Ryabov, P. N.; Kudryashov, N. A.; Muratov, R. V.

    2017-01-01

    We consider the adiabatic shear banding phenomenon in composite materials undergoing the high speed shear deformations. The mathematical model of adiabatic shear banding in thermo-visco-plastic material is given. New two step numerical algorithm which is based on the Courant-Isaacson-Rees scheme that allows one to simulate fully localized plastic flow from initial stage of localization is proposed. To test this numerical algorithm we use three benchmark problems. The testing results show the accuracy and efficiency of proposed algorithm. The features of adiabatic shear bands formation in composites are studied. The existence of characteristic depth of localization in composites is shown. Influence of initial temperature distribution on the processes of adiabatic shear bands formation in composites is considered.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. ENTROPY-VORTEX WAVES IN NON-ADIABATIC FLOWS

    SciTech Connect

    Ibáñez S, Miguel H.

    2016-02-20

    The Ertel theorem on the vorticity along the flow of adiabatic fluids is generalized for non-adiabatic flows. Several limiting cases are analyzed and the results are applied to flows behind different hydrodynamics fronts, particularly to thermal fronts (heat and cooling fronts). An important conclusion of the present analysis is that vorticity is inherent in the condensation’s (or hot spots) formation by thermal instabilities in plasma flows. Implications for several astrophysical plasmas are outlined.

  9. Vacuum vessel eddy current modeling for TFTR adiabatic compression experiments

    SciTech Connect

    DeLucia, J.; Bell, M.; Wong, K.L.

    1985-07-01

    A relatively simple current filament model of the TFTR vacuum vessel is described. It is used to estimate the three-dimensional structure of magnetic field perturbations in the vicinity of the plasma that arise from vacuum vessel eddy currents induced during adiabatic compression. Eddy currents are calculated self-consistently with the plasma motion. The Shafranov formula and adiabatic scaling laws are used to model the plasma. Although the specific application is to TFTR, the present model is of generation applicability.

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

    PubMed

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

    2016-07-08

    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.

  11. A connection between mix and adiabat in ICF capsules

    NASA Astrophysics Data System (ADS)

    Cheng, Baolian; Kwan, Thomas; Wang, Yi-Ming; Yi, Sunghuan (Austin); Batha, Steven

    2016-10-01

    We study the relationship between instability induced mix, preheat and the adiabat of the deuterium-tritium (DT) fuel in fusion capsule experiments. Our studies show that hydrodynamic instability not only directly affects the implosion, hot spot shape and mix, but also affects the thermodynamics of the capsule, such as, the adiabat of the DT fuel, and, in turn, affects the energy partition between the pusher shell (cold DT) and the hot spot. It was found that the adiabat of the DT fuel is sensitive to the amount of mix caused by Richtmyer-Meshkov (RM) and Rayleigh-Taylor (RT) instabilities at the material interfaces due to its exponential dependence on the fuel entropy. An upper limit of mix allowed maintaining a low adiabat of DT fuel is derived. Additionally we demonstrated that the use of a high adiabat for the DT fuel in theoretical analysis and with the aid of 1D code simulations could explain some aspects of the 3D effects and mix in the capsule experiments. Furthermore, from the observed neutron images and our physics model, we could infer the adiabat of the DT fuel in the capsule and determine the possible amount of mix in the hot spot (LA-UR-16-24880). This work was conducted under the auspices of the U.S. Department of Energy by the Los Alamos National Laboratory under Contract No. W-7405-ENG-36.

  12. Adiabatic fission barriers in superheavy nuclei

    NASA Astrophysics Data System (ADS)

    Jachimowicz, P.; Kowal, M.; Skalski, J.

    2017-01-01

    Using the microscopic-macroscopic model based on the deformed Woods-Saxon single-particle potential and the Yukawa-plus-exponential macroscopic energy, we calculated static fission barriers Bf for 1305 heavy and superheavy nuclei 98 ≤Z ≤126 , including even-even, odd-even, even-odd and odd-odd systems. For odd and odd-odd nuclei, adiabatic potential-energy surfaces were calculated by a minimization over configurations with one blocked neutron or/and proton on a level from the 10th below to the 10th above the Fermi level. The parameters of the model that have been fixed previously by a fit to masses of even-even heavy nuclei were kept unchanged. A search for saddle points has been performed by the "imaginary water flow" method on a basic five-dimensional deformation grid, including triaxiality. Two auxiliary grids were used for checking the effects of the mass asymmetry and hexadecapole nonaxiality. The ground states (g.s.) were found by energy minimization over configurations and deformations. We find that the nonaxiality significantly changes first and second fission saddle in many nuclei. The effect of the mass asymmetry, known to lower the second, very deformed saddles in actinides, in the heaviest nuclei appears at the less deformed saddles in more than 100 nuclei. It happens for those saddles in which the triaxiality does not play any role, which suggests a decoupling between effects of the mass asymmetry and triaxiality. We studied also the influence of the pairing interaction strength on the staggering of Bf for odd- and even-particle numbers. Finally, we provide a comparison of our results with other theoretical fission barrier evaluations and with available experimental estimates.

  13. Electronic excitation of H{sub 2} by {ital e}{sup +} impact using adiabatic nuclear rotation model

    SciTech Connect

    Mukherjee, T.; Ghosh, A.S.

    1996-06-01

    The adiabatic nuclear rotation (ANR) model has been employed to obtain rotational excitation cross sections for electronically elastic and electronic excitation processes in {ital e}{sup +}-H{sub 2} scattering. The present results are compared with the more accurate laboratory-frame rotational close-coupling approximation (LFCCA) predictions. The electronically inelastic rotational excitation results using the ANR model differ from the corresponding LFCCA results near the electronic excitation threshold energies. {copyright} {ital 1996 The American Physical Society.}

  14. The distinctive feature of long time adiabatic modulation in the context of cnoidal wave and Akhmediev breaser interaction

    NASA Astrophysics Data System (ADS)

    Makarov, V. A.; Petnikova, V. M.

    2017-02-01

    For a nonintegrable system of two coupled nonlinear Schrödinger equations the adiabatic approximation is extended for long time interaction. The method enables analytical description of the modulation of a cnoidal wave by Akhmediev breather in an isotropic nonlinear gyrotropic medium with Kerr nonlinearity and second-order group-velocity dispersion. The conditions which must be fulfilled for stable propagation of the obtained solution with amplitude and frequency modulation are determined.

  15. Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems

    NASA Astrophysics Data System (ADS)

    Habershon, Scott

    2013-09-01

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

  16. Condition for adiabatic passage in the earth's-field NMR technique

    NASA Astrophysics Data System (ADS)

    Melton, B. F.; Pollak, V. L.

    2002-09-01

    The equation of motion d M/ dt=γ M× B(t) is solved for the case B(t)= jB p(t)+ kB e. The field Be is a small static field, typically the earth's field. The field Bp( t) decays exponentially toward zero with time constant T. This decay is produced by an overdamped switching transient that occurs near the end of the rapid cutoff of the coil current used to polarize the sample. It is assumed that Bp is initially large compared to Be, and that magnetization M is initially along the resultant field B. Exact solutions are obtained numerically for several decay time constants of Bp, and the motion of M is depicted graphically. It is found that for adiabatic passage, the final cone angle β of the precession in field Be is related to the decay time constant of Bp by β=2e -(π/2) ωeT. This is confirmed by measurements of the amplitudes of the ensuing free-precession signals for various decay rates of Bp. Near-perfect adiabatic passage (magnetization aligned within 2° of the earth's field) can be achieved for time constants T⩾2.6/ ωe. For the case of sudden passage, an approximate analytic solution is developed by linearizing the equation of motion in the laboratory frame of reference. For the adiabatic case, an approximate analytic solution is obtained by linearizing the equation of motion in a rotating frame of reference that follows the resultant field B= Bp+ Be.

  17. Calculation of the local density of states for a discrete pyramidal model of a diamond tip surmounted by a single atom

    NASA Astrophysics Data System (ADS)

    Miskovsky, N. M.; Cutler, P. H.

    1999-09-01

    In a series of recent experiments, diamond cold cathodes have yielded high current at low power (μA to mA at about 10 V). These results, coupled with the extraordinary physical and electronic properties of this wide bandgap material ( Eg≈5.5 eV) make diamond cold cathodes promising candidates for use in flat panel displays, high frequency devices, sensors and other vacuum microelectronics applications. The experimental work on these cathodes has concentrated on thin film composites and needle geometries. It has been proposed that the emission originates from localized asperities (or crystallites) on the film (which can be of nanometer, or even atomic, size) or from very sharp tips approaching atomic size in the case of needle geometry. A quantity important in determining the origin of the tunneling electron states is the local density of states function. In the present work we have calculated the local density of states (LDOS) at an atomically sharp diamond asperity (or tip) using a tight binding model. A pyramidal shaped cluster of 159 atoms is constructed to model the tip. The forces are calculated and used to optimize the atomic geometry of the top six layers of atoms. The bottom layers are fixed to simulate the bulk diamond. The broken symmetry of the pyramidal tip gives rise to unique features in the LDOS compared to the slab or flat-surface geometry. In the tip geometry, there are unoccupied states just above the topmost occupied energy states which gives rise to a more 'metallic' like behavior in the presence of an applied electric field. Since the tunneling characteristics depend strongly on the local density of states at the 'surface', it is expected (without even considering field enhancement effects) that the field electron energy distribution from these tips will be significantly different from so called flat or 'blunt' field emitters.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. An approximate Riemann solver for hypervelocity flows

    NASA Technical Reports Server (NTRS)

    Jacobs, Peter A.

    1991-01-01

    We describe an approximate Riemann solver for the computation of hypervelocity flows in which there are strong shocks and viscous interactions. The scheme has three stages, the first of which computes the intermediate states assuming isentropic waves. A second stage, based on the strong shock relations, may then be invoked if the pressure jump across either wave is large. The third stage interpolates the interface state from the two initial states and the intermediate states. The solver is used as part of a finite-volume code and is demonstrated on two test cases. The first is a high Mach number flow over a sphere while the second is a flow over a slender cone with an adiabatic boundary layer. In both cases the solver performs well.

  3. 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).

  4. The calculation of adiabatic-connection curves from full configuration-interaction densities: two-electron systems.

    PubMed

    Teale, A M; Coriani, S; Helgaker, T

    2009-03-14

    The Lieb formulation of density-functional theory is briefly reviewed and its straightforward generalization to arbitrary electron-electron interaction strengths discussed, leading to the introduction of density-fixed and potential-fixed adiabatic connections. An iterative scheme for the calculation of the Lieb functionals under the appropriate constraints is outlined following the direct optimization approach of Wu and Yang [J. Chem. Phys. 118, 2498 (2003)]. First- and second-order optimization schemes for the calculation of accurate adiabatic-connection integrands are investigated and compared; the latter is preferred both in terms of computational efficiency and accuracy. The scheme is applicable to systems of any number of electrons. However, to determine the accuracy that may be achieved, the present work focuses on two-electron systems for which a number of simplifications may be exploited. The procedure is applied to the helium isoelectronic series and the H(2) molecule. The resulting adiabatic-connection curves yield the full configuration-interaction exchange-correlation energies extrapolated to the basis-set limit. The relationship between the Kohn-Sham and natural orbitals as functions of the electron-electron interaction strength is explored in detail for H(2). The accuracy with which the exchange-correlation contributions to the modified local potential can be determined is discussed. The new accurate adiabatic-connection curves are then compared with some recently investigated approximate forms calculated using accurate full configuration-interaction input data. This study demonstrates that the adiabatic-connection integrand may be determined accurately and efficiently, providing important insights into the link between the Kohn-Sham and traditional quantum-chemical treatments of the exchange-correlation problem in electronic-structure theory.

  5. Fowler-Nordheim emission modified by laser pulses in the adiabatic regime

    NASA Astrophysics Data System (ADS)

    Rokhlenko, A.; Lebowitz, J. L.

    2016-06-01

    We investigate enhanced field emission due to a continuous or pulsed oscillating field added to a constant electric field E at the emitter surface. When the frequency of oscillation, field strength, and property of the emitter material satisfy the Keldysh condition γ<1 /2 , one can use the adiabatic approximation for treating the oscillating field, i.e., consider the tunneling through the instantaneous Fowler-Nordheim barrier created by both fields. Due to the great sensitivity of the emission to the field strength, the average tunneling current can be much larger than the current produced by only the constant field. We carry out the computations for arbitrary strong constant electric fields, beyond the commonly used Fowler-Nordheim approximation which exhibit, in particular, an important property of the wave function inside the potential barrier where it is found to be monotonically decreasing without oscillations.

  6. 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.

  7. 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

  8. Adiabatic circular polarizer based on chiral fiber grating.

    PubMed

    Yang, Li; Xue, Lin-Lin; Li, Cheng; Su, Jue; Qian, Jing-Ren

    2011-01-31

    Based on the adiabatic coupling principle, a new scheme of a broadband circular polarizer formed by twisting a high-birefringence (Hi-Bi) fiber with a slowly varying twist rate is proposed. The conditions of adiabatic coupling for the adiabatic polarizer are first identified through analytical derivations. These conditions are easily realized by choosing a reasonable variation of the twist rate. Moreover, the bandwidth of the polarizer is able to be directly determined by the twist rates at the two ends. Finally, the broadband characteristics of the polarizer are demonstrated by simulations. It is also shown that the performance of the polarizer can be remarkably improved by accomplishing a multi-mode phase-matching along the grating or by using of the couplings of the core mode to lossy modes.

  9. 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)

  10. Applications of chirped Raman adiabatic rapid passage to atom interferometry

    NASA Astrophysics Data System (ADS)

    Kotru, Krish; Butts, David L.; Kinast, Joseph M.; Johnson, David M. S.; Radojevic, Antonije M.; Timmons, Brian P.; Stoner, Richard E.

    2012-02-01

    We present robust atom optics, based on chirped Raman adiabatic rapid passage (ARP), in the context of atom interferometry. Such ARP light pulses drive coherent population transfer between two hyperfine ground states by sweeping the frequency difference of two fixed-intensity optical fields with large single photon detunings. Since adiabatic transfer is less sensitive to atom temperature and non-uniform Raman beam intensity than standard Raman pulses, this approach should improve the stability of atom interferometers operating in dynamic environments. In such applications, chirped Raman ARP may also provide advantages over the previously demonstrated stimulated Raman adiabatic passage (STIRAP) technique, which requires precise modulation of beam intensity and zeroing of the single photon detuning. We demonstrate a clock interferometer with chirped Raman ARP pulses, and compare its stability to that of a conventional Raman pulse interferometer. We also discuss potential improvements to inertially sensitive atom interferometers. Copyright 2011 by The Charles Stark Draper Laboratory, Inc. All rights reserved.

  11. Adiabatic Pseudospectral Technique: Applications to Four Atom Molecules

    NASA Astrophysics Data System (ADS)

    Antikainen, Jyrki Tapio

    1995-01-01

    After the introduction, in chapter 2 we review some of the well established techniques used to solve the Schrodinger equation. The following methods are discussed: the Finite Basis Representation, the Discrete Variable Representation, the Basic Light basis set truncation, and the Lanczos tridiagonalization. After reviewing the previous techniques we present the main features of our Adiabatic Pseudospectral (APS) technique. The Adiabatic Pseudospectral technique is a synthesis of several powerful computational methods such as the sequential adiabatic basis set reduction, the iterative Lanczos diagonalization, the collocation techniques, and a careful implementation of the matrix -vector product for the Hamiltonian in the reduced adiabatic representation. In chapter 3 we use our adiabatic pseudospectral method (APS) to calculate energy levels of the H _2O_2 molecule up to 5000 cm ^{-1}. Reasonably high accuracy (a few wavenumbers) is achieved for a fully six dimensional calculation in a few hours of CPU time on an IBM 580 workstation. These results are a great improvement over previous calculations on the same system which required 50-100 times more computational effort for a similar level of accuracy. The method presented here is both general and robust. It will allow for routine studies of six dimensional potential surfaces and the associated spectroscopy, while making calculations on still larger systems feasible. In chapter 4 the adiabatic pseudospectral method is used to study the high energy vibrational levels of the H_2C_2 molecule. We calculate stimulated emission pumping spectra initialized by the excited electronic state vibrational trans-bent state ~ A_sp{u}{1 }3_{nu}_3 . The calculations show that with the APS-method we can easily investigate energy regions in the excess of 15,000 cm^{-1}; these high energy regions have been previously unattainable by computational techniques.

  12. 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.

  13. Quantum dynamics by the constrained adiabatic trajectory method

    SciTech Connect

    Leclerc, A.; Jolicard, G.; Guerin, S.; Killingbeck, J. P.

    2011-03-15

    We develop the constrained adiabatic trajectory method (CATM), which allows one to solve the time-dependent Schroedinger equation constraining the dynamics to a single Floquet eigenstate, as if it were adiabatic. This constrained Floquet state (CFS) is determined from the Hamiltonian modified by an artificial time-dependent absorbing potential whose forms are derived according to the initial conditions. The main advantage of this technique for practical implementation is that the CFS is easy to determine even for large systems since its corresponding eigenvalue is well isolated from the others through its imaginary part. The properties and limitations of the CATM are explored through simple examples.

  14. 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.

  15. Dynamics with the effective adiabatic theory: The Bloch equations

    NASA Astrophysics Data System (ADS)

    Carmeli, Benny; Chandler, David

    1988-07-01

    This paper extends our earlier work on the effective adiabatic theory [J. Chem. Phys. 82, 3400 (1985)] to study relaxation of a two-level system coupled to a Gaussian dissipative bath—the spin-boson problem. Bloch equations are derived which, under the limited circumstances described herein, treat the role of bath fluctuations omitted in the equilibrium effective adiabatic reference system. Applications to the Lorentzian dissipative bath show that the theory agrees closely with numerical simulation results. Application to an Ohmic bath shows that the theory is in agreement with currently accepted results concerned with the problem of macroscopic quantum coherence.

  16. Adiabatic State Conversion and Pulse Transmission in Optomechanical Systems

    NASA Astrophysics Data System (ADS)

    Tian, Lin

    2012-04-01

    Optomechanical systems with strong coupling can be a powerful medium for quantum state engineering of the cavity modes. Here, we show that quantum state conversion between cavity modes of distinctively different wavelengths can be realized with high fidelity by adiabatically varying the effective optomechanical couplings. The conversion fidelity for Gaussian states is derived by solving the Langevin equation in the adiabatic limit. Meanwhile, we also show that traveling photon pulses can be transmitted between different input and output channels with high fidelity and the output pulse can be engineered via the optomechanical couplings.

  17. 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.

  18. Evidence for Quasi-adiabatic Motion of Charged Particles in Strong Current Sheets in the Solar Wind

    NASA Astrophysics Data System (ADS)

    Malova, H. V.; Popov, V. Yu.; Grigorenko, E. E.; Petrukovich, A. A.; Delcourt, D.; Sharma, A. S.; Khabarova, O. V.; Zelenyi, L. M.

    2017-01-01

    We investigate quasi-adiabatic dynamics of charged particles in strong current sheets (SCSs) in the solar wind, including the heliospheric current sheet (HCS), both theoretically and observationally. A self-consistent hybrid model of an SCS is developed in which ion dynamics is described at the quasi-adiabatic approximation, while the electrons are assumed to be magnetized, and their motion is described in the guiding center approximation. The model shows that the SCS profile is determined by the relative contribution of two currents: (i) the current supported by demagnetized protons that move along open quasi-adiabatic orbits, and (ii) the electron drift current. The simplest modeled SCS is found to be a multi-layered structure that consists of a thin current sheet embedded into a much thicker analog of a plasma sheet. This result is in good agreement with observations of SCSs at ∼1 au. The analysis of fine structure of different SCSs, including the HCS, shows that an SCS represents a narrow current layer (with a thickness of ∼104 km) embedded into a wider region of about 105 km, independently of the SCS origin. Therefore, multi-scale structuring is very likely an intrinsic feature of SCSs in the solar wind.

  19. Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature

    SciTech Connect

    Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; Beccara, Silvio a; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; and others

    2013-01-28

    In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C{sub 60} collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C{sub 60} impact on the Si surface is in good agreement with our experimental findings.

  20. Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature.

    PubMed

    Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; a Beccara, Silvio; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; Alfè, Dario

    2013-01-28

    In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C(60) collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C(60) impact on the Si surface is in good agreement with our experimental findings.

  1. 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.

  2. 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.

  3. Green Ampt approximations

    NASA Astrophysics Data System (ADS)

    Barry, D. A.; Parlange, J.-Y.; Li, L.; Jeng, D.-S.; Crapper, M.

    2005-10-01

    The solution to the Green and Ampt infiltration equation is expressible in terms of the Lambert W-1 function. Approximations for Green and Ampt infiltration are thus derivable from approximations for the W-1 function and vice versa. An infinite family of asymptotic expansions to W-1 is presented. Although these expansions do not converge near the branch point of the W function (corresponds to Green-Ampt infiltration with immediate ponding), a method is presented for approximating W-1 that is exact at the branch point and asymptotically, with interpolation between these limits. Some existing and several new simple and compact yet robust approximations applicable to Green-Ampt infiltration and flux are presented, the most accurate of which has a maximum relative error of 5 × 10 -5%. This error is orders of magnitude lower than any existing analytical approximations.

  4. 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.

  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 compression and radiative compression of magnetic fields

    SciTech Connect

    Woods, C.H.

    1980-02-12

    Flux is conserved during mechanical compression of magnetic fields for both nonrelativistic and relativistic compressors. However, the relativistic compressor generates radiation, which can carry up to twice the energy content of the magnetic field compressed adiabatically. The radiation may be either confined or allowed to escape.

  7. Digitized adiabatic quantum computing with a superconducting circuit.

    PubMed

    Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

    2016-06-09

    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.

  8. Cosmological solutions in spatially curved universes with adiabatic particle production

    NASA Astrophysics Data System (ADS)

    Aresté Saló, Llibert; de Haro, Jaume

    2017-03-01

    We perform a qualitative and thermodynamic study of two models when one takes into account adiabatic particle production. In the first one, there is a constant particle production rate, which leads to solutions depicting the current cosmic acceleration but without inflation. The other one has solutions that unify the early and late time acceleration. These solutions converge asymptotically to the thermal equilibrium.

  9. 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)

  10. Reversibility and energy dissipation in adiabatic superconductor logic.

    PubMed

    Takeuchi, Naoki; Yamanashi, Yuki; Yoshikawa, Nobuyuki

    2017-12-01

    Reversible computing is considered to be a key technology to achieve an extremely high energy efficiency in future computers. In this study, we investigated the relationship between reversibility and energy dissipation in adiabatic superconductor logic. We analyzed the evolution of phase differences of Josephson junctions in the reversible quantum-flux-parametron (RQFP) gate and confirmed that the phase differences can change time reversibly, which indicates that the RQFP gate is physically, as well as logically, reversible. We calculated energy dissipation required for the RQFP gate to perform a logic operation and numerically demonstrated that the energy dissipation can fall below the thermal limit, or the Landauer bound, by lowering operation frequencies. We also investigated the 1-bit-erasure gate as a logically irreversible gate and the quasi-RQFP gate as a physically irreversible gate. We calculated the energy dissipation of these irreversible gates and showed that the energy dissipation of these gate is dominated by non-adiabatic state changes, which are induced by unwanted interactions between gates due to logical or physical irreversibility. Our results show that, in reversible computing using adiabatic superconductor logic, logical and physical reversibility are required to achieve energy dissipation smaller than the Landauer bound without non-adiabatic processes caused by gate interactions.

  11. Adiabatic State Conversion and Photon Transmission in Optomechanical Systems

    NASA Astrophysics Data System (ADS)

    Tian, Lin

    2012-02-01

    Light-matter interaction in optomechanical systems in the strong coupling regime can be explored as a tool to transfer cavity states and to transmit photon pulses. Here, we show that quantum state conversion between cavity modes with different wavelengths can be realized with high fidelity by adiabatically varying the effective optomechanical couplings. During this adiabatic process, the quantum state is preserved in the dark mode of the cavities, similar to the adiabatic transfer schemes in EIT systems. The fidelity for gaussian states is derived by solving the Langevin equation in the adiabatic limit and shows negligible dependence on the mechanical noise. We also show that an input pulse can be transmitted to an output channel with a different wavelength via the effective optomechanical couplings. The condition for optimal transmission is derived in the frequency domain. Input pulses with a narrow spectral width can be transmitted with high fidelity. For input pulses with a large spectral width, the shape of the output pulses can be manipulated by applying time-dependent effective couplings. (1) L. Tian, arXiv:1111.2119. (2) L. Tian and H. L. Wang, Phys. Rev. A 82, 053806 (2010).

  12. 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…

  13. Dark energy and dark matter from an additional adiabatic fluid

    NASA Astrophysics Data System (ADS)

    Dunsby, Peter K. S.; Luongo, Orlando; Reverberi, Lorenzo

    2016-10-01

    The dark sector is described by an additional barotropic fluid which evolves adiabatically during the Universe's history and whose adiabatic exponent γ is derived from the standard definitions of specific heats. Although in general γ is a function of the redshift, the Hubble parameter and its derivatives, we find that our assumptions lead necessarily to solutions with γ =constant in a Friedmann-Lemaître-Robertson-Walker universe. The adiabatic fluid acts effectively as the sum of two distinct components, one evolving like nonrelativistic matter and the other depending on the value of the adiabatic index. This makes the model particularly interesting as a way of simultaneously explaining the nature of both dark energy and dark matter, at least at the level of the background cosmology. The Λ CDM model is included in this family of theories when γ =0 . We fit our model to supernovae Ia, H (z ) and baryonic acoustic oscillation data, discussing the model selection criteria. The implications for the early Universe and the growth of small perturbations in this model are also discussed.

  14. Non-adiabatic transition probability dependence on conical intersection topography

    NASA Astrophysics Data System (ADS)

    Malhado, João Pedro; Hynes, James T.

    2016-11-01

    We derive a closed form analytical expression for the non-adiabatic transition probability for a distribution of trajectories passing through a generic conical intersection (CI), based on the Landau-Zener equation for the non-adiabatic transition probability for a single straight-line trajectory in the CI's vicinity. We investigate the non-adiabatic transition probability's variation with topographical features and find, for the same crossing velocity, no intrinsic difference in efficiency at promoting non-adiabatic decay between peaked and sloped CIs, a result in contrast to the commonly held view. Any increased efficiency of peaked over sloped CIs is thus due to dynamical effects rather than to any increased transition probability of topographical origin. It is also shown that the transition probability depends in general on the direction of approach to the CI, and that the coordinates' reduced mass can affect the transition probability via its influence on the CI topography in mass-scaled coordinates. The resulting predictions compare well with surface hopping simulation results.

  15. Non-adiabatic transition probability dependence on conical intersection topography.

    PubMed

    Malhado, João Pedro; Hynes, James T

    2016-11-21

    We derive a closed form analytical expression for the non-adiabatic transition probability for a distribution of trajectories passing through a generic conical intersection (CI), based on the Landau-Zener equation for the non-adiabatic transition probability for a single straight-line trajectory in the CI's vicinity. We investigate the non-adiabatic transition probability's variation with topographical features and find, for the same crossing velocity, no intrinsic difference in efficiency at promoting non-adiabatic decay between peaked and sloped CIs, a result in contrast to the commonly held view. Any increased efficiency of peaked over sloped CIs is thus due to dynamical effects rather than to any increased transition probability of topographical origin. It is also shown that the transition probability depends in general on the direction of approach to the CI, and that the coordinates' reduced mass can affect the transition probability via its influence on the CI topography in mass-scaled coordinates. The resulting predictions compare well with surface hopping simulation results.

  16. 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.

  17. Efficiency of the MO method using a Slater-type basis set and non-local density functional formalism for describing DNA base stacking energy

    NASA Astrophysics Data System (ADS)

    Kurita, Noriyuki; Araki, Masahiro; Nakao, Kenji; Kobayashi, Kinya

    1999-11-01

    We have developed a molecular-orbital (MO) method based on a Slater-type basis set and non-local density functional theory (DFT) for describing the DNA base stacking properties, and its efficiency has been confirmed by investigating the stacking energy of cytosine dimer. Our DFT method can reproduce the dependence of stacking energy on the stacking conformation obtained by the ab initio second-order Møller-Plesset (MP2) calculation. The stable structures of hydrogen-bonded Watson-Crick base pairs and (PO 4H 2) -1 ion have been investigated and the structures obtained by our DFT method are comparable with those from the MP2 and DFT methods in Gaussian94. Therefore, our DFT method may be applicable for investigating the stable structures of more realistic models for stacked DNA base pairs including backbones.

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    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.

  19. The density of zeros of forms for which weak approximation fails

    NASA Astrophysics Data System (ADS)

    Heath-Brown, D. R.

    1992-10-01

    The weak approximation principle fails for the forms {x^3} + {y^3} + {z^3} = k{w^3} , when k = 2 or 3. The question therefore arises as to what asymptotic density one should predict for the rational zeros of these forms. Evidence, both numerical and theoretical, is presented, which suggests that, for forms of the above type, the product of the local densities still gives the correct global density.

  20. Local density and group size interacts with age and sex to determine direction and rate of social dispersal in a polygynous mammal

    PubMed Central

    Marjamäki, Paula H; Contasti, Adrienne L; Coulson, Tim N; McLoughlin, Philip D

    2013-01-01

    Movement away from an area or social group in response to increasing density (density-dependent dispersal) is known for most species; why it evolves is fundamental to our understanding of ecology and evolution. However, we have yet to fully appreciate how individuals of varying conditions (e.g., age and sex) might differently consider effects of density (quorum) when deciding to disperse or not, and scale dependence in their sense of quorum. We tracked movements of all individuals of a naturalized population of feral horses (Equus ferus caballus; Sable Island National Park Reserve, Nova Scotia, Canada) during a period of rapid population growth (N increased from 375 to 484 horses from 2008 to 2010). Permanent dispersal from breeding groups (bands) was positively density dependent for all age and sex categories with respect to local density (horses/km2, bounded by the 99th percentile of individual movements [8000 m]), but was negatively and positively density dependent for males and females, respectively, in relation to group (band) size. Dispersal was generally female biased, with the exception of foals which moved with their mothers (no sex effect), and for yearlings and subadults when band sizes were smaller than average, in which case males dispersed at higher rates than females. Dispersal distance was positively related to local density. We conclude that dispersal rate can be both positively and negatively density dependent for feral horses, contingent on the state of individuals and the scale at which quorum with respect to choosing to disperse or not is assessed. Scale effects and interactions of density-dependent and sex- and age-biased dispersal may have both ecological and evolutionary consequences through effects on resource and mate competition. PMID:24101995

  1. Vibrational coherences in charge-transfer dyes: a non-adiabatic picture.

    PubMed

    Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco; Terenziani, Francesca; Painelli, Anna

    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.

  2. 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.

  3. Response of Dark Matter Halos to Condensation of Baryons: Cosmological Simulations and Improved Adiabatic Contraction Model

    NASA Astrophysics Data System (ADS)

    Gnedin, Oleg Y.; Kravtsov, Andrey V.; Klypin, Anatoly A.; Nagai, Daisuke

    2004-11-01

    The cooling of gas in the centers of dark matter halos is expected to lead to a more concentrated dark matter distribution. The response of dark matter to the condensation of baryons is usually calculated using the model of adiabatic contraction, which assumes spherical symmetry and circular orbits. In contrast, halos in the hierarchical structure formation scenarios grow via multiple violent mergers and accretion along filaments, and particle orbits in the halos are highly eccentric. We study the effects of the cooling of gas in the inner regions of halos using high-resolution cosmological simulations that include gas dynamics, radiative cooling, and star formation. We find that the dissipation of gas indeed increases the density of dark matter and steepens its radial profile in the inner regions of halos compared to the case without cooling. For the first time, we test the adiabatic contraction model in cosmological simulations and find that the standard model systematically overpredicts the increase of dark matter density in the inner 5% of the virial radius. We show that the model can be improved by a simple modification of the assumed invariant from M(r)r to M(r)r, where r and r are the current and orbit-averaged particle positions. This modification approximately accounts for orbital eccentricities of particles and reproduces simulation profiles to within 10%-20%. We present analytical fitting functions that accurately describe the transformation of the dark matter profile in the modified model and can be used for interpretation of observations.

  4. Sub-adiabatic perpendicular electron heating across high-Mach number collisionless shocks

    NASA Astrophysics Data System (ADS)

    Sundkvist, D. J.; Mozer, F.

    2012-12-01

    Spacecraft observations of a high Mach number quasi-perpendicular bow shock with high plasma beta have revealed electrons that were sub-adiabatic through the shock ramp because they were less heated than expected from conservation of the first adiabatic invariant. This stands out in contrast to existing theories of electron heating at collisionless shocks in which the electrons are adiabatically heated through compression or more-than-adiabatically heated due to additional effects such as anomalous resistivity induced by microinstabilites.

  5. Superfluid Thomas—Fermi approximation for trapped fermi gases

    NASA Astrophysics Data System (ADS)

    Hernández, E. S.; Capuzzi, P.; Szybisz, L.

    2009-02-01

    We present a generalization of fermionic fluiddynamics to the case of two trapped fermion species with a contact interaction. Within a mean field approximation, we derive coupled equations of motion for the particle densities, particle currents, and anomalous pair density. For an inhomogeneous system, the equilibrium situation with vanishing currents is described by a generalized Thomas-Fermi relation that includes the superfluid gap, together with a new nonlocal gap equation that replaces the usual BCS one. These equations are numericaly solved resorting to a local density approximation (LDA). Density and gap profiles are analyzed in terms of the scattering length, revealing that the current frame can exhibit microscopic details of quantum origin that are frequently absent in more macroscopic scenarios.

  6. Intrinsic Nilpotent Approximation.

    DTIC Science & Technology

    1985-06-01

    RD-A1II58 265 INTRINSIC NILPOTENT APPROXIMATION(U) MASSACHUSETTS INST 1/2 OF TECH CAMBRIDGE LAB FOR INFORMATION AND, DECISION UMCLRSSI SYSTEMS C...TYPE OF REPORT & PERIOD COVERED Intrinsic Nilpotent Approximation Technical Report 6. PERFORMING ORG. REPORT NUMBER LIDS-R-1482 7. AUTHOR(.) S...certain infinite-dimensional filtered Lie algebras L by (finite-dimensional) graded nilpotent Lie algebras or g . where x E M, (x,,Z) E T*M/O. It

  7. Anomalous diffraction approximation limits

    NASA Astrophysics Data System (ADS)

    Videen, Gorden; Chýlek, Petr

    It has been reported in a recent article [Liu, C., Jonas, P.R., Saunders, C.P.R., 1996. Accuracy of the anomalous diffraction approximation to light scattering by column-like ice crystals. Atmos. Res., 41, pp. 63-69] that the anomalous diffraction approximation (ADA) accuracy does not depend on particle refractive index, but instead is dependent on the particle size parameter. Since this is at odds with previous research, we thought these results warranted further discussion.

  8. 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.

  9. Approximate spatial reasoning

    NASA Technical Reports Server (NTRS)

    Dutta, Soumitra

    1988-01-01

    Much of human reasoning is approximate in nature. Formal models of reasoning traditionally try to be precise and reject the fuzziness of concepts in natural use and replace them with non-fuzzy scientific explicata by a process of precisiation. As an alternate to this approach, it has been suggested that rather than regard human reasoning processes as themselves approximating to some more refined and exact logical process that can be carried out with mathematical precision, the essence and power of human reasoning is in its capability to grasp and use inexact concepts directly. This view is supported by the widespread fuzziness of simple everyday terms (e.g., near tall) and the complexity of ordinary tasks (e.g., cleaning a room). Spatial reasoning is an area where humans consistently reason approximately with demonstrably good results. Consider the case of crossing a traffic intersection. We have only an approximate idea of the locations and speeds of various obstacles (e.g., persons and vehicles), but we nevertheless manage to cross such traffic intersections without any harm. The details of our mental processes which enable us to carry out such intricate tasks in such apparently simple manner are not well understood. However, it is that we try to incorporate such approximate reasoning techniques in our computer systems. Approximate spatial reasoning is very important for intelligent mobile agents (e.g., robots), specially for those operating in uncertain or unknown or dynamic domains.

  10. 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.

  11. Effects of Adiabatic Focusing on the Diffusion of Energetic Charged Particles

    NASA Astrophysics Data System (ADS)

    Wang, Yang; Qin, Gang

    2016-03-01

    An approximate analytic description of a diffusion coefficient, including the effect of adiabatic focusing, has been developed. This description is formulated with the aid of stochastic differential equations and the steady perturbation solution of the Fokker-Plank transport equation. The analytical formula is based on three important assumptions. First, the pitch-angle diffusion coefficient is set to be separable from the spatial coordinate and the pitch-angle cosine. Second, the spatial dependence of the ratio between the mean-free path and focusing length is assumed to be weak. Third, the pitch-angle distribution relaxes quickly to a steady state. The new analytic formula could be applied to calculate the spatial diffusion coefficient in the interplanetary and interstellar space.

  12. 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.

  13. Static stability of the Jovian atmospheres estimated from moist adiabatic profiles

    NASA Astrophysics Data System (ADS)

    Sugiyama, Ko-ichiro; Odaka, Masatsugu; Kuramoto, Kiyoshi; Hayashi, Yoshi-Yuki

    2006-02-01

    The dependency of static stability N2 of the Jovian atmospheres on the abundances of condensible elements is considered by calculating the moist adiabatic profiles. An optimal minimization method of the Gibbs free energy is utilized to obtain equilibrium compositions in order to cover a variety of basic elements. It is shown that CH4 is one of the dominant contributors to producing a stable layer in the Uranian atmosphere. On Jupiter, R. K. Achterberg and A. P. Ingersoll (1989) have shown that, at low water abundances, N2 is proportional to the H2O abundance. In the present study, we show that this relationship does not hold when the H2O abundance is larger than approximately 5 × solar. A rough estimation of wave speed indicates that the abundance of 10 × solar is marginal to explain the SL9-induced wave speed as that of an internal gravity wave.

  14. Analysis of quantum Monte Carlo dynamics for quantum adiabatic evolution in infinite-range spin systems

    NASA Astrophysics Data System (ADS)

    Inoue, Jun-Ichi

    2011-03-01

    We analytically derive deterministic equations of order parameters such as spontaneous magnetization in infinite-range quantum spin systems obeying quantum Monte Carlo dynamics. By means of the Trotter decomposition, we consider the transition probability of Glauber-type dynamics of microscopic states for the corresponding classical system. Under the static approximation, differential equations with respect to macroscopic order parameters are explicitly obtained from the master equation that describes the microscopic-law. We discuss several possible applications of our approach to disordered spin systems for statistical-mechanical informatics. Especially, we argue the ground state searching for infinite-range random spin systems via quantum adiabatic evolution. We were financially supported by Grant-in-Aid for Scientific Research (C) of Japan Society for the Promotion of Science, No. 22500195.

  15. EFFECT OF ADIABATIC FOCUSING ON THE DIFFUSION OF ENERGETIC CHARGED PARTICLES

    SciTech Connect

    Wang, Yang; Qin, Gang E-mail: gqin@spaceweather.ac.cn

    2016-03-20

    An approximate analytic description of a diffusion coefficient, including the effect of adiabatic focusing, has been developed. This description is formulated with the aid of stochastic differential equations and the steady perturbation solution of the Fokker–Plank transport equation. The analytical formula is based on three important assumptions. First, the pitch-angle diffusion coefficient is set to be separable from the spatial coordinate and the pitch-angle cosine. Second, the spatial dependence of the ratio between the mean-free path and focusing length is assumed to be weak. Third, the pitch-angle distribution relaxes quickly to a steady state. The new analytic formula could be applied to calculate the spatial diffusion coefficient in the interplanetary and interstellar space.

  16. A general design algorithm for low optical loss adiabatic connections in waveguides.

    PubMed

    Chen, Tong; Lee, Hansuek; Li, Jiang; Vahala, Kerry J

    2012-09-24

    Single-mode waveguide designs frequently support higher order transverse modes, usually as a consequence of process limitations such as lithography. In these systems, it is important to minimize coupling to higher-order modes so that the system nonetheless behaves single mode. We propose a variational approach to design adiabatic waveguide connections with minimal intermodal coupling. An application of this algorithm in designing the "S-bend" of a whispering-gallery spiral waveguide is demonstrated with approximately 0.05 dB insertion loss. Compared to other approaches, our algorithm requires less fabrication resolution and is able to minimize the transition loss over a broadband spectrum. The method can be applied to a wide range of turns and connections and has the advantage of handling connections with arbitrary boundary conditions.

  17. Sideband excitation of trapped ions by rapid adiabatic passage for manipulation of motional states

    SciTech Connect

    Watanabe, T.; Nomura, S.; Toyoda, K.; Urabe, S.

    2011-09-15

    We describe an analysis and experimental results of the manipulation of motional states of a single trapped {sup 40}Ca{sup +} ion based on sideband excitation by rapid adiabatic passage. When the sideband transition is excited by rapid adiabatic passage, adiabaticity may be affected by ac Stark shifts. We investigate the influence of ac Stark shifts and compensate for these shifts with an additional laser field. This makes the population transfer by rapid adiabatic passage more robust with respect to experimental parameters. Finally, we manipulate the motional states and generate motional Fock states of a single {sup 40}Ca{sup +} ion by rapid adiabatic passage with ac Stark compensation.

  18. Non-adiabatic dynamics of molecules in optical cavities

    NASA Astrophysics Data System (ADS)

    Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul

    2016-02-01

    Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. The implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.

  19. Non-adiabatic dynamics of molecules in optical cavities

    SciTech Connect

    Kowalewski, Markus Bennett, Kochise; Mukamel, Shaul

    2016-02-07

    Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. The implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.

  20. Adiabatic theory of solitons fed by dispersive waves

    NASA Astrophysics Data System (ADS)

    Pickartz, Sabrina; Bandelow, Uwe; Amiranashvili, Shalva

    2016-09-01

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

  1. Adiabatic far-field sub-diffraction imaging.

    PubMed

    Cang, Hu; Salandrino, Alessandro; Wang, Yuan; Zhang, Xiang

    2015-08-10

    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.

  2. Engineering adiabaticity at an avoided crossing with optimal control

    NASA Astrophysics Data System (ADS)

    Chasseur, T.; Theis, L. S.; Sanders, Y. R.; Egger, D. J.; Wilhelm, F. K.

    2015-04-01

    We investigate ways to optimize adiabaticity and diabaticity in the Landau-Zener model with nonuniform sweeps. We show how diabaticity can be engineered with a pulse consisting of a linear sweep augmented by an oscillating term. We show that the oscillation leads to jumps in populations whose value can be accurately modeled using a model of multiple, photon-assisted Landau-Zener transitions, which generalizes work by Wubs et al. [New J. Phys. 7, 218 (2005)], 10.1088/1367-2630/7/1/218. We extend the study on diabaticity using methods derived from optimal control. We also show how to preserve adiabaticity with optimal pulses at limited time, finding a nonuniform quantum speed limit.

  3. 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.

  4. 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.

  5. 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

  6. Multidimensional Study of High-Adiabat OMEGA Cryogenic Experiments

    NASA Astrophysics Data System (ADS)

    Collins, T. J. B.; Betti, R.; Bose, A.; Christopherson, A. R.; Knauer, J. P.; Marozas, J. A.; Maximov, A. V.; Mora, A.; Radha, P. B.; Shang, W.; Shvydky, A.; Stoeckl, C.; Woo, K. M.; Varchas, G.

    2016-10-01

    Despite recent advances in modeling laser direct-drive inertial confinement fusion (ICF) experiments, there remains a predictability gap. This is particularly shown by the shortfall in hot-spot pressures inferred from OMEGA cryogenic implosions. To address this, a series of high-adiabat, cryogenic implosions were performed on OMEGA. These shots were performed with and without single-beam smoothing by spectral dispersion, at low and high drive intensities. These shots represent a regime where good agreement with simulation is expected because of the high adiabat. Multidimensional simulations of these shots will be presented with an emphasis on comparison with experimental indicators of departure from spherical symmetry (``1-D-ness''). The roles of short- and long-wavelength perturbations are considered. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  7. Breaking of dynamical adiabaticity in direct laser acceleration of electrons

    NASA Astrophysics Data System (ADS)

    Robinson, A. P. L.; Arefiev, A. V.

    2017-02-01

    The interaction of an electron oscillating in an ion channel and irradiated by a plane electromagnetic wave is considered. It is shown that the interaction qualitatively changes with the increase of electron energy, as the oscillations across the channel become relativistic. The "square-wave-like" profile of the transverse velocity in the relativistic case enables breaking of the adiabaticity that precludes electron energy retention in the non-relativistic case. For an electron with a relativistic factor γ0, the adiabaticity breaks if ωL/ωp0≪√{γ0 } . Under these conditions, the kinetic energy acquired by the electron is retained once the interaction with the laser field ceases. This mechanism notably enables electron heating in regimes that do not require a resonant interaction between the initially oscillating electron and the laser electric field.

  8. Reverse engineering of a nonlossy adiabatic Hamiltonian for non-Hermitian systems

    NASA Astrophysics Data System (ADS)

    Wu, Qi-Cheng; Chen, Ye-Hong; Huang, Bi-Hua; Xia, Yan; Song, Jie

    2016-11-01

    We generalize the quantum adiabatic theorem to the non-Hermitian system and build a strict adiabaticity condition to make the adiabatic evolution nonlossy when taking into account the effect of the adiabatic phase. According to the strict adiabaticity condition, the nonadiabatic couplings and the effect of the imaginary part of adiabatic phase should be eliminated as much as possible. Also, the non-Hermitian Hamiltonian reverse-engineering method is proposed for adiabatically driving an artificial quantum state. A concrete two-level system is adopted to show the usefulness of the reverse-engineering method. We obtain the desired target state by adjusting extra rotating magnetic fields at a predefined time. Furthermore, the numerical simulation shows that certain noise and dissipation in the systems are no longer undesirable but play a positive role in the scheme. Therefore, the scheme is quite useful for quantum information processing in some dissipative systems.

  9. Experimental Adiabatic Quantum Factorization under Ambient Conditions Based on a Solid-State Single Spin System.

    PubMed

    Xu, Kebiao; Xie, Tianyu; Li, Zhaokai; Xu, Xiangkun; Wang, Mengqi; Ye, Xiangyu; Kong, Fei; Geng, Jianpei; Duan, Changkui; Shi, Fazhan; Du, Jiangfeng

    2017-03-31

    The adiabatic quantum computation is a universal and robust method of quantum computing. In this architecture, the problem can be solved by adiabatically evolving the quantum processor from the ground state of a simple initial Hamiltonian to that of a final one, which encodes the solution of the problem. Adiabatic quantum computation has been proved to be a compatible candidate for scalable quantum computation. In this Letter, we report on the experimental realization of an adiabatic quantum algorithm on a single solid spin system under ambient conditions. All elements of adiabatic quantum computation, including initial state preparation, adiabatic evolution (simulated by optimal control), and final state read-out, are realized experimentally. As an example, we found the ground state of the problem Hamiltonian S_{z}I_{z} on our adiabatic quantum processor, which can be mapped to the factorization of 35 into its prime factors 5 and 7.

  10. 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.

  11. 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.

  12. 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.

  13. Competing adiabatic Thouless pumps in enlarged parameter spaces

    NASA Astrophysics Data System (ADS)

    Lopes, Pedro L. e. S.; Ghaemi, Pouyan; Ryu, Shinsei; Hughes, Taylor L.

    2016-12-01

    The transfer of conserved charges through insulating matter via smooth deformations of the Hamiltonian is known as quantum adiabatic, or Thouless, pumping. Central to this phenomenon are Hamiltonians whose insulating gap is controlled by a multidimensional (usually two-dimensional) parameter space in which paths can be defined for adiabatic changes in the Hamiltonian, i.e., without closing the gap. Here, we extend the concept of Thouless pumps of band insulators by considering a larger, three-dimensional parameter space. We show that the connectivity of this parameter space is crucial for defining quantum pumps, demonstrating that, as opposed to the conventional two-dimensional case, pumped quantities depend not only on the initial and final points of Hamiltonian evolution but also on the class of the chosen path and preserved symmetries. As such, we distinguish the scenarios of closed/open paths of Hamiltonian evolution, finding that different closed cycles can lead to the pumping of different quantum numbers, and that different open paths may point to distinct scenarios for surface physics. As explicit examples, we consider models similar to simple models used to describe topological insulators, but with doubled degrees of freedom compared to a minimal topological insulator model. The extra fermionic flavors from doubling allow for extra gapping terms/adiabatic parameters—besides the usual topological mass which preserves the topology-protecting discrete symmetries—generating an enlarged adiabatic parameter space. We consider cases in one and three spatial dimensions, and our results in three dimensions may be realized in the context of crystalline topological insulators, as we briefly discuss.

  14. Adiabatic Compression Sensitivity of Liquid Fuels and Monopropellants

    DTIC Science & Technology

    2007-11-02

    Sensitivity of Liquid Fuels and Monopropellants " 46’b Internat’I Instrumentation Syrup (Bellevue, WA, 30 Apr- 04 May 00) (Statement A) (Deadline: 30 Dec...99) Adiabatic Compression Sensitivity of Liquid Fuels and Monopropellants Ismail M. K. Ismail Tom W. Hawkins Senior Engineer/Scientist Group Leader...hazard sensitivity, propellants, fuels, oxidizers ABSTRACT Liquid rocket fuels and monopropellants can be sensitive to rapid compression. Such liquids

  15. 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.

  16. Multicriteria approximation through decomposition

    SciTech Connect

    Burch, C.; Krumke, S.; Marathe, M.; Phillips, C.; Sundberg, E.

    1998-06-01

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of their technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. Their method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) the authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing; (2) they also show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  17. Multicriteria approximation through decomposition

    SciTech Connect

    Burch, C. |; Krumke, S.; Marathe, M.; Phillips, C.; Sundberg, E. |

    1997-12-01

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of the technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. The method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) The authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing. (2) They show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  18. 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…

  19. 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…

  20. On optimal methods for adiabatic quantum state transformations

    NASA Astrophysics Data System (ADS)

    Somma, Rolando

    2013-03-01

    Many problems in science could be solved by preparing the low-energy quantum state (or any eigenstate) of a Hamiltonian. A common example is the Boolean satisfiability problem, where each clause can be mapped to the energy of an interacting many-body system, and the problem reduces to minimizing the energy. In quantum computing, adiabatic quantum state transformations (ASTs) provide a tool for preparing the quantum state. ASTs are conventionally implemented via slow or adiabatic perturbations to the Hamiltonian, relying on the quantum adiabatic theorem. Nevertheless, more efficient implementations of ASTs exist. In this talk I will review recently developed methods for ASTs that are more efficient and require less assumptions on the Hamiltonians than the conventional implementation. Such methods involve measurements of the states along the evolution path and have a best-case implementation cost of L/G, where L is the length of the (evolved) state path and G is a lower bound to the spectral gap of the Hamiltonians. I will show that this cost is optimal and comment on results of the gap amplification problem, where the goal is to reduce the cost by increasing G. We acknowledge support from NSF through the CCF program and the LDRD programs at Los Alamos National Laboratory and Sandia National Laboratories.

  1. 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.

  2. 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.

  3. The performance of the quantum adiabatic algorithm on spike Hamiltonians

    NASA Astrophysics Data System (ADS)

    Kong, Linghang; Crosson, Elizabeth

    Spike Hamiltonians arise from optimization instances for which the adiabatic algorithm provably out performs classical simulated annealing. In this work, we study the efficiency of the adiabatic algorithm for solving the “the Hamming weight with a spike” problem by analyzing the scaling of the spectral gap at the critical point for various sizes of the barrier. Our main result is a rigorous lower bound on the minimum spectral gap for the adiabatic evolution when the bit-symmetric cost function has a thin but polynomially high barrier, which is based on a comparison argument and an improved variational ansatz for the ground state. We also adapt the discrete WKB method for the case of abruptly changing potentials and compare it with the predictions of the spin coherent instanton method which was previously used by Farhi, Goldstone and Gutmann. Finally, our improved ansatz for the ground state leads to a method for predicting the location of avoided crossings in the excited energy states of the thin spike Hamiltonian, and we use a recursion relation to understand the ordering of some of these avoided crossings as a step towards analyzing the previously observed diabatic cascade phenomenon.

  4. 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.

  5. 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.

  6. Adiabatic dynamics with classical noise in optical lattice

    NASA Astrophysics Data System (ADS)

    Xu, Guanglei; Daley, Andrew

    2016-05-01

    The technique of adiabatic state preparation is an interesting potential tool for the realisation of sensitive many-body states with ultra-cold atoms at low temperatures. However, questions remain regarding the influence of classical noise in these adiabatic dynamics. We investigate such dynamics in a situation where a level dressing scheme can make amplitude noise in an optical lattice proportional to the Hamiltonian, leading to a quantum Zeno effect for non-adiabatic transitions. We compute the dynamics using stochastic many-body Schrödinger equation and master equation approaches. Taking the examples of 1D Bose-Hubbard model from Mott insulator phase to superfluid phase and comparing with analytical calculations for a two-level system, we demonstrate that when the total time for the process is limited, properly transformed noise can lead to an increased final fidelity in the state preparation. We consider the dynamics also in the presence of imperfections, studying the resulting heating and dephasing for the many-body states, and identifying optimal regimes for future experiments.

  7. Experimental implementation of an adiabatic quantum optimization algorithm

    NASA Astrophysics Data System (ADS)

    Steffen, Matthias; van Dam, Wim; Hogg, Tad; Breyta, Greg; Chuang, Isaac

    2003-03-01

    A novel quantum algorithm using adiabatic evolution was recently presented by Ed Farhi [1] and Tad Hogg [2]. This algorithm represents a remarkable discovery because it offers new insights into the usefulness of quantum resources. An experimental demonstration of an adiabatic algorithm has remained beyond reach because it requires an experimentally accessible Hamiltonian which encodes the problem and which must also be smoothly varied over time. We present tools to overcome these difficulties by discretizing the algorithm and extending average Hamiltonian techniques [3]. We used these techniques in the first experimental demonstration of an adiabatic optimization algorithm: solving an instance of the MAXCUT problem using three qubits and nuclear magnetic resonance techniques. We show that there exists an optimal run-time of the algorithm which can be predicted using a previously developed decoherence model. [1] E. Farhi et al., quant-ph/0001106 (2000) [2] T. Hogg, PRA, 61, 052311 (2000) [3] W. Rhim, A. Pines, J. Waugh, PRL, 24,218 (1970)

  8. Analysis of a High-Adiabat Cryogenic Implosion on OMEGA

    NASA Astrophysics Data System (ADS)

    Christopherson, A. R.; Betti, R.; Nora, R.; Epstein, R.; Marshall, F. J.; Forrest, C. J.; Stoeckl, C.; Delettrez, J. A.; Radha, P. B.; Howard, J.

    2014-10-01

    The performance of high-adiabat implosions >~ 10 is marginally affected by nonuniformities because of the strong ablative stabilization. To test the validity of the one-dimensional (1-D) physics included in existing hydrocodes, a study of high-adiabat cryogenic DT implosions is carried out by comparing the results of 1-D simulations with several measured quantities. It is found that after including nonlocal transport, cross-beam energy transfer, and hot electrons, 1-D simulations reproduce most of the observables with reasonable accuracy. Since the analysis is applied to the only high-adiabat DT implosion fielded on OMEGA, these results do not fully validate the 1-D physics of current hydrocodes. However, this work shows the framework for establishing a validation capability of the 1-D physics of inertial confinement fusion implosions. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944 and the Office of Fusion Energy Sciences Number DE-FG02-04ER54786.

  9. Mean-Field Approximation to the Hydrophobic Hydration in the Liquid-Vapor Interface of Water.

    PubMed

    Abe, Kiharu; Sumi, Tomonari; Koga, Kenichiro

    2016-03-03

    A mean-field approximation to the solvation of nonpolar solutes in the liquid-vapor interface of aqueous solutions is proposed. It is first remarked with a numerical illustration that the solvation of a methane-like solute in bulk liquid water is accurately described by the mean-field theory of liquids, the main idea of which is that the probability (Pcav) of finding a cavity in the solvent that can accommodate the solute molecule and the attractive interaction energy (uatt) that the solute would feel if it is inserted in such a cavity are both functions of the solvent density alone. It is then assumed that the basic idea is still valid in the liquid-vapor interface, but Pcav and uatt are separately functions of different coarse-grained local densities, not functions of a common local density. Validity of the assumptions is confirmed for the solvation of the methane-like particle in the interface of model water at temperatures between 253 and 613 K. With the mean-field approximation extended to the inhomogeneous system the local solubility profiles across the interface at various temperatures are calculated from Pcav and uatt obtained at a single temperature. The predicted profiles are in excellent agreement with those obtained by the direct calculation of the excess chemical potential over an interfacial region where the solvent local density varies most rapidly.

  10. Europium-Doped NaYF4 Nanocrystals as Probes for the Electric and Magnetic Local Density of Optical States throughout the Visible Spectral Range

    PubMed Central

    2016-01-01

    Absorption and emission in the ultraviolet, visible, and infrared spectral range are usually mediated by the electric-field component of light. Only some electronic transitions have significant “magnetic-dipole” character, meaning that they couple to the magnetic field of light. Nanophotonic control over magnetic-dipole emission has recently been demonstrated, and magnetic-dipole transitions have been used to probe the magnetic-field profiles of photonic structures. However, the library of available magnetic-dipole emitters is currently limited to red or infrared emitters and mostly doped solids. Here, we show that NaYF4 nanocrystals doped with Eu3+ have various electric- and magnetic-dipole emission lines throughout the visible spectral range from multiple excited states. At the same time, the colloidal nature of the nanocrystals allows easy handling. We demonstrate the use of these nanocrystals as probes for the radiative electric and magnetic local density of optical states in a planar mirror geometry. A single emission spectrum can reveal enhancement or suppression of the density of optical states at multiple frequencies simultaneously. Such nanocrystals may find application in the characterization of nanophotonic structures or as model emitters for studies into magnetic light–matter interaction at optical frequencies.

  11. 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.

  12. 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

  13. Applied Routh approximation

    NASA Technical Reports Server (NTRS)

    Merrill, W. C.

    1978-01-01

    The Routh approximation technique for reducing the complexity of system models was applied in the frequency domain to a 16th order, state variable model of the F100 engine and to a 43d order, transfer function model of a launch vehicle boost pump pressure regulator. The results motivate extending the frequency domain formulation of the Routh method to the time domain in order to handle the state variable formulation directly. The time domain formulation was derived and a characterization that specifies all possible Routh similarity transformations was given. The characterization was computed by solving two eigenvalue-eigenvector problems. The application of the time domain Routh technique to the state variable engine model is described, and some results are given. Additional computational problems are discussed, including an optimization procedure that can improve the approximation accuracy by taking advantage of the transformation characterization.

  14. Topics in Metric Approximation

    NASA Astrophysics Data System (ADS)

    Leeb, William Edward

    This thesis develops effective approximations of certain metrics that occur frequently in pure and applied mathematics. We show that distances that often arise in applications, such as the Earth Mover's Distance between two probability measures, can be approximated by easily computed formulas for a wide variety of ground distances. We develop simple and easily computed characterizations both of norms measuring a function's regularity -- such as the Lipschitz norm -- and of their duals. We are particularly concerned with the tensor product of metric spaces, where the natural notion of regularity is not the Lipschitz condition but the mixed Lipschitz condition. A theme that runs throughout this thesis is that snowflake metrics (metrics raised to a power less than 1) are often better-behaved than ordinary metrics. For example, we show that snowflake metrics on finite spaces can be approximated by the average of tree metrics with a distortion bounded by intrinsic geometric characteristics of the space and not the number of points. Many of the metrics for which we characterize the Lipschitz space and its dual are snowflake metrics. We also present applications of the characterization of certain regularity norms to the problem of recovering a matrix that has been corrupted by noise. We are able to achieve an optimal rate of recovery for certain families of matrices by exploiting the relationship between mixed-variable regularity conditions and the decay of a function's coefficients in a certain orthonormal basis.

  15. 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.

  16. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

    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.

  18. Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem.

    PubMed

    Tkatchenko, Alexandre; Ambrosetti, Alberto; DiStasio, Robert A

    2013-02-21

    Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory calculations. However, when applied to more than two atoms, these methods are still frequently perceived to be based on ad hoc assumptions, rather than a rigorous derivation from quantum mechanics. Starting from the adiabatic connection fluctuation-dissipation (ACFD) theorem, an exact expression for the electronic exchange-correlation energy, we demonstrate that the pairwise interatomic dispersion energy for an arbitrary collection of isotropic polarizable dipoles emerges from the second-order expansion of the ACFD formula upon invoking the random-phase approximation (RPA) or the full-potential approximation. Moreover, for a system of quantum harmonic oscillators coupled through a dipole-dipole potential, we prove the equivalence between the full interaction energy obtained from the Hamiltonian diagonalization and the ACFD-RPA correlation energy. This property makes the Hamiltonian diagonalization an efficient method for the calculation of the many-body dispersion energy. In addition, we show that the switching function used to damp the dispersion interaction at short distances arises from a short-range screened Coulomb potential, whose role is to account for the spatial spread of the individual atomic dipole moments. By using the ACFD formula, we gain a deeper understanding of the approximations made in the interatomic pairwise approaches, providing a powerful formalism for further development of accurate and efficient methods for the calculation of the dispersion energy.

  19. Mean-field dynamics of a Bose-Einstein condensate in a time-dependent triple-well trap: Nonlinear eigenstates, Landau-Zener models, and stimulated Raman adiabatic passage

    SciTech Connect

    Graefe, E. M.; Korsch, H. J.; Witthaut, D.

    2006-01-15

    We investigate the dynamics of a Bose-Einstein condensate in a triple-well trap in a three-level approximation. The interatomic interactions are taken into account in a mean-field approximation (Gross-Pitaevskii equation), leading to a nonlinear three-level model. Additional eigenstates emerge due to the nonlinearity, depending on the system parameters. Adiabaticity breaks down if such a nonlinear eigenstate disappears when the parameters are varied. The dynamical implications of this loss of adiabaticity are analyzed for two important special cases: A three-level Landau-Zener model and the stimulated Raman adiabatic passage (STIRAP) scheme. We discuss the emergence of looped levels for an equal-slope Landau-Zener model. The Zener tunneling probability does not tend to zero in the adiabatic limit and shows pronounced oscillations as a function of the velocity of the parameter variation. Furthermore we generalize the STIRAP scheme for adiabatic coherent population transfer between atomic states to the nonlinear case. It is shown that STIRAP breaks down if the nonlinearity exceeds the detuning.

  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. Approximate Qualitative Temporal Reasoning

    DTIC Science & Technology

    2001-01-01

    i.e., their boundaries can be placed in such a way that they coincide with the cell boundaries of the appropriate partition of the time-line. (Think of...respect to some appropriate partition of the time-line. For example, I felt well on Saturday. When I measured my temperature I had a fever on Monday and on...Bittner / Approximate Qualitative Temporal Reasoning 49 [27] I. A. Goralwalla, Y. Leontiev , M. T. Özsu, D. Szafron, and C. Combi. Temporal granularity for

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. Shear Faulting and Adiabatic Heating: Experimental Results from Ice

    NASA Astrophysics Data System (ADS)

    Golding, N.; Schulson, E. M.; Renshaw, C. E.

    2011-12-01

    Ice exhibits two distinct modes of shear faulting (Golding et al. Acta Materialia, 2010;58:5043), namely frictional or Coulombic (C) faulting under moderate levels of confinement and non-frictional or plastic (P) faulting under high levels of confinement. The mechanisms governing C-faulting have previously been discussed in connection with the comb-crack model (Renshaw & Schulson Nature, 2001;412:897). Here we examine the physical process[es] that trigger P-faulting. Systematic experiments on laboratory grown granular and columnar polycrystalline ice loaded triaxially under a high degree of confinement at -10 oC to -40 oC at applied strain rates 10-5 s-1 to 10-1 s-1 trace the micro-mechanical evolution of P-faulting. Terminal failure is characterized by a sudden brittle-like loss in load bearing capacity, the development of a narrow shear band, comprised of recrystallized grains and oriented on a plane of maximum shear, and localized heating. Possible mechanisms considered to account for the localization include: 1) adiabatic heating, 2) localized material softening through a reduction in dislocation density caused by dynamic recrystallization and 3) a transition from power-law creep to grain-size-dependent diffusional creep as a result of grain refinement caused by dynamic recrystallization. Our results indicate that, although recrystallization develops dynamically during loading, microstructural development does not significantly affect shear localization in ice. Nor does it affect the character of the fault. The minimum levels of deformation required to generate faulting are found to be consistent with those predicted for adiabatic shear instability. The present observations suggest that under specific conditions adiabatic heating, rather than dynamic recrystallization, may lead to material instability and shear faulting.

  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. Optical force on atoms with periodic adiabatic rapid passage sequences

    NASA Astrophysics Data System (ADS)

    Miao, Xiyue

    Adiabatic Rapid Passage (ARP) is a long-existing method to invert the population of a two-level nuclear spin system. Its extension to the optical domain necessitates a frequency chirped light pulse to interact with a two-level atom through dipole interaction. In this dissertation ARP processes for various pulse schemes and pulse parameters have been studied theoretically and experimentally. The non-adiabatic transition probability of ARP was quantified to characterize the efficiency of ARP for population transfer. Unanticipated regularities were found in the pulse parameter space. ARP sequences in periodic phase coherent counter-propagating light pulses can be used to produce large optical forces on atoms. The magnitude of the force is proportional to the pulse repetition rate. So the force can be much larger than the usual radiative force if the pulse repetition rate is much higher than the spontaneous emission rate. The behavior of the atoms in such periodic ARP fields without spontaneous emission is well described by a periodic Hamiltonian. By investigating the evolution of the Bloch vector on the Bloch sphere, we related the average optical force on atoms to the non-adiabatic transition probability of a single pulse. Syncopation time has to be introduced in the pulsing scheme to produce a directional force in the presence of spontaneous emission. Experimentally, we observed the force on He* atoms by the deflection of the atomic beam with periodic chirped pulses from counter-propagating pulse trains. The chirped pulse train was realized by synchronized phase and amplitude modulation of the light from a cw diode laser. The Fourier spectrum of the modulated light was monitored to guarantee the quality of the chirped pulses. The measured ARP forces are about half of the theoretical predictions. Not only have we shown that such forces are huge and robust, but we have also been able to map the forces in the two dimensional pulse parameter space. The force

  9. Diabatic Versus Adiabatic Calculation of Torsion-Vibration Interactions

    NASA Astrophysics Data System (ADS)

    Hougen, Jon T.

    2013-06-01

    The introductory part of this talk will deal briefly with two historical topics: (i) use of the words adiabatic, nonadiabatic, and diabatic in thermodynamics and quantum mechanics, and (ii) application of diabatic and adiabatic ideas to vibrational energy level calculations for a pair of diatomic-molecule potential energy curves exhibiting an avoided crossing. The main part of the talk will be devoted to recent work with Li-Hong Xu and Ron Lees on how ab initio projected frequency calculations for small-amplitude vibrations along the large-amplitude internal rotation path in methanol can best be used to help guide experimental assignments and fits in the IR vibrational spectrum. The three CH stretching vibrations for CH_{3}OH can conveniently be represented as coefficients multiplying three different types of basis vibrations, i.e., as coefficients of: (i) the local mode C-H_i bond displacements δr_{i} for hydrogens H_{1}, H_{2} and H_{3} of the methyl top, (ii) symmetrized linear combinations of the three δr_{i} of species A_{1} oplus E in the permutation-inversion group G_{6} = C_{3v} appropriate for methanol, or (iii) symmetrized linear combinations of the three δr_{i} of species 2A_{1} oplus A_{2} in the permutation-inversion group G_{6}. In this talk, we will focus on diabatic and adiabatic computations for the A_{1} oplus E basis vibrations of case (ii) above. We will briefly explain how Jahn-Teller-like and Renner-Teller-like torsion-vibration interaction terms occurring in the potential energy expression in the diabatic calculation become torsion-vibration Coriolis interaction terms occurring in the kinetic energy expression of the adiabatic calculations, and also show how, for algebraically solvable parameter choices, the same energy levels are obtained from either calculation. A final conclusion as to which approach is computationally superior for the numerical data given in a quantum chemistry output file has not yet been arrived at.

  10. 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.

  11. Adiabatic transport of qubits around a black hole

    NASA Astrophysics Data System (ADS)

    Viennot, David; Moro, Olivia

    2017-03-01

    We consider localized qubits evolving around a black hole following a quantum adiabatic dynamics. We develop a geometric structure (based on fibre bundles) permitting to describe the quantum states of a qubit and the spacetime geometry in a single framework. The quantum decoherence induced by the black hole on the qubit is analysed in this framework (the role of the dynamical and geometric phases in this decoherence is treated), especially for the quantum teleportation protocol when one qubit falls to the event horizon. A simple formula to compute the fidelity of the teleportation is derived. The case of a Schwarzschild black hole is analysed.

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. Metallization of nanofilms in strong adiabatic electric fields.

    PubMed

    Durach, Maxim; Rusina, Anastasia; Kling, Matthias F; Stockman, Mark I

    2010-08-20

    We introduce an effect of metallization of dielectric nanofilms by strong, adiabatically varying electric fields. The metallization causes optical properties of a dielectric film to become similar to those of a plasmonic metal (strong absorption and negative permittivity at low optical frequencies). This is a quantum effect, which is exponentially size-dependent, occurring at fields on the order of 0.1 V/Å and pulse durations ranging from ∼1 fs to ∼10 ns for a film thickness of 3-10 nm.

  17. Metallization of Nanofilms in Strong Adiabatic Electric Fields

    NASA Astrophysics Data System (ADS)

    Durach, Maxim; Rusina, Anastasia; Kling, Matthias F.; Stockman, Mark I.

    2010-08-01

    We introduce an effect of metallization of dielectric nanofilms by strong, adiabatically varying electric fields. The metallization causes optical properties of a dielectric film to become similar to those of a plasmonic metal (strong absorption and negative permittivity at low optical frequencies). This is a quantum effect, which is exponentially size-dependent, occurring at fields on the order of 0.1V/Å and pulse durations ranging from ˜1fs to ˜10ns for a film thickness of 3-10 nm.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. Propagation of laser pulses under conditions of adiabatic population transfer

    SciTech Connect

    Arkhipkin, V G; Manushkin, D V; Timofeev, V P

    1998-12-31

    A medium of three-level absorbing atoms is considered under conditions of adiabatic population transfer. A study is made of the characteristics of spatial propagation of two delayed (relative to one another) Gaussian pulses. It is shown that selective excitation of a two-photon resonant state with a near-unity probability is conserved over the length of a medium, which is considerably greater than the absorption length of a weak probe pulse in the absence of the second field. (physical basis of quantum electronics)

  3. 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.

  4. Modeling of the Adiabatic and Isothermal Methanation Process

    NASA Astrophysics Data System (ADS)

    Porubova, Jekaterina; Bazbauers, Gatis; Markova, Darja

    2011-01-01

    Increased use of biomass offers one of the ways to reduce anthropogenic impact on the environment. Using various biomass conversion processes, it is possible to obtain different types of fuels: • solid, e.g. bio-carbon; • liquid, e.g. biodiesel and ethanol; • gaseous, e.g. biomethane. Biomethane can be used in the transport and energy sector, and the total methane production efficiency can reach 65%. By modeling adiabatic and isothermal methanation processes, the most effective one from the methane production point of view is defined. Influence of the process parameters on the overall efficiency of the methane production is determined.

  5. Control of adiabatic light transfer in coupled waveguides with longitudinally varying detuning

    NASA Astrophysics Data System (ADS)

    Oukraou, Hassan; Vittadello, Laura; Coda, Virginie; Ciret, Charles; Alonzo, Massimo; Rangelov, Andon A.; Vitanov, Nikolay V.; Montemezzani, Germano

    2017-02-01

    We study adiabatic light transfer in systems of two coupled waveguides with spatially varying detuning of the propagation constants, providing an analogy to the quantum phenomena of rapid adiabatic passage (RAP) and two-state stimulated Raman adiabatic passage (two-state STIRAP). Experimental demonstration using a photoinduction technique confirms the robust and broadband character of the structures that act as broadband directional couplers and broadband beam splitters, respectively.

  6. 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.

  7. Determining the Complexity of the Quantum Adiabatic Algorithm using Quantum Monte Carlo Simulations

    DTIC Science & Technology

    2012-12-18

    efficiently a quantum computer could solve optimization problems using the quantum adiabatic algorithm (QAA). Comparisons were made with a classical...Park, NC 27709-2211 15. SUBJECT TERMS Quantum Adiabatic Algorithm , Optimization, Monte Carlo, quantum computer, satisfiability problems, spin glass... quantum adiabatic algorithm (QAA). Comparisons were made with a classical heuristic algorithm , WalkSAT. A preliminary study was also made to see if the

  8. Shortcut to adiabatic control of soliton matter waves by tunable interaction

    PubMed Central

    Li, Jing; Sun, Kun; Chen, Xi

    2016-01-01

    We propose a method for shortcut to adiabatic control of soliton matter waves in harmonic traps. The tunable interaction controlled by Feshbach resonance is inversely designed to achieve fast and high-fidelity compression of soliton matter waves as compared to the conventional adiabatic compression. These results pave the way to control the nonlinear dynamics for matter waves and optical solitons by using shortcuts to adiabaticity. PMID:28009007

  9. 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

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

    PubMed

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

    2016-02-26

    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.

  11. Fast adiabatic quantum state transfer and entanglement generation between two atoms via dressed states

    PubMed Central

    Wu, Jin-Lei; Ji, Xin; Zhang, Shou

    2017-01-01

    We propose a dressed-state scheme to achieve shortcuts to adiabaticity in atom-cavity quantum electrodynamics for speeding up adiabatic two-atom quantum state transfer and maximum entanglement generation. Compared with stimulated Raman adiabatic passage, the dressed-state scheme greatly shortens the operation time in a non-adiabatic way. By means of some numerical simulations, we determine the parameters which can guarantee the feasibility and efficiency both in theory and experiment. Besides, numerical simulations also show the scheme is robust against the variations in the parameters, atomic spontaneous emissions and the photon leakages from the cavity.

  12. 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

  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. Countably QC-Approximating Posets

    PubMed Central

    Mao, Xuxin; Xu, Luoshan

    2014-01-01

    As a generalization of countably C-approximating posets, the concept of countably QC-approximating posets is introduced. With the countably QC-approximating property, some characterizations of generalized completely distributive lattices and generalized countably approximating posets are given. The main results are as follows: (1) a complete lattice is generalized completely distributive if and only if it is countably QC-approximating and weakly generalized countably approximating; (2) a poset L having countably directed joins is generalized countably approximating if and only if the lattice σc(L)op of all σ-Scott-closed subsets of L is weakly generalized countably approximating. PMID:25165730

  16. 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.

  17. 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.

  18. 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.

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

    DOE PAGES

    Keating, Tyler; Cook, Robert L.; Hankin, Aaron M.; ...

    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

  20. 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.

  1. Enhanced Diffusion Weighting Generated by Selective Adiabatic Pulse Trains

    PubMed Central

    Sun, Ziqi; Bartha, Robert

    2007-01-01

    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 to Ph-6) were studied on a 4T 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 mM – 0.8 mM) water solutions (Ph-2 to 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 1H2O 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. PMID:17600741

  2. 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.

  3. 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

  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. 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.

  6. Adiabatic-nuclei calculations of positron scattering from molecular hydrogen

    NASA Astrophysics Data System (ADS)

    Zammit, Mark C.; Fursa, Dmitry V.; Savage, Jeremy S.; Bray, Igor; Chiari, Luca; Zecca, Antonio; Brunger, Michael J.

    2017-02-01

    The single-center adiabatic-nuclei convergent close-coupling method is used to investigate positron collisions with molecular hydrogen (H2) in the ground and first vibrationally excited states. Cross sections are presented over the energy range from 1 to 1000 eV for elastic scattering, vibrational excitation, total ionization, and the grand total cross section. The present adiabatic-nuclei positron-H2 scattering length is calculated as A =-2.70 a0 for the ground state and A =-3.16 a0 for the first vibrationally excited state. The present elastic differential cross sections are also used to "correct" the low-energy grand total cross-section measurements of the Trento group [A. Zecca et al., Phys. Rev. A 80, 032702 (2009), 10.1103/PhysRevA.80.032702] for the forward-angle-scattering effect. In general, the comparison with experiment is good. By performing convergence studies, we estimate that our Rm=1.448 a0 fixed-nuclei results are converged to within ±5 % for the major scattering integrated cross sections.

  7. 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.

  8. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

    SciTech Connect

    White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

    2016-04-25

    Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitable for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.

  9. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

    DOE PAGES

    White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

    2016-04-25

    Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitablemore » for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.« less

  10. Simple proof of equivalence between adiabatic quantum computation and the circuit model.

    PubMed

    Mizel, Ari; Lidar, Daniel A; Mitchell, Morgan

    2007-08-17

    We prove the equivalence between adiabatic quantum computation and quantum computation in the circuit model. An explicit adiabatic computation procedure is given that generates a ground state from which the answer can be extracted. The amount of time needed is evaluated by computing the gap. We show that the procedure is computationally efficient.

  11. An arbitrary wavelength solver for global gyrokinetic simulations. Application to the study of fine radial structures on microturbulence due to non-adiabatic passing electron dynamics

    NASA Astrophysics Data System (ADS)

    Dominski, J.; McMillan, B. F.; Brunner, S.; Merlo, G.; Tran, T.-M.; Villard, L.

    2017-02-01

    The influence of the fine layers of the non-adiabatic passing electron response on electrostatic turbulent transport, previously studied systematically in flux tube geometry [Dominski et al., Phys. Plasmas 22, 062303 (2015)], is pursued in global geometry in conditions relevant for the TCV tokamak with a deuterium plasma (mi/me = 3672). The spectral organization of the passing electron turbulent flux and its dependence on the radial profile of the safety factor are revealed. A radially dependent toroidal spectral analysis of the turbulent fluxes led to the key result that the particle and heat diffusivities of passing-electrons are proportional to the local density of low-order mode rational surfaces. To permit this study of the short radial scales associated with the passing electron dynamics, a new field solver valid at an arbitrary wavelength is implemented in ORB5, for the gyrokinetic quasi-neutrality equation. A benchmark is conducted against the global version of the gyrokinetic code GENE, showing very good agreement.

  12. 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.

  13. 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.

  14. Adiabatic photo-steering theory in topological insulators

    PubMed Central

    Inoue, Jun-ichi

    2014-01-01

    Feasible external control of material properties is a crucial issue in condensed matter physics. A new approach to achieving this aim, named adiabatic photo-steering, is reviewed. The core principle of this scheme is that several material constants are effectively turned into externally tunable variables by irradiation of monochromatic laser light. Two-dimensional topological insulators are selected as the optimal systems that exhibit a prominent change in their properties following the application of this method. Two specific examples of photo-steered quantum phenomena, which reflect topological aspects of the electronic systems at hand, are presented. One is the integer quantum Hall effect described by the Haldane model, and the other is the quantum spin Hall effect described by the Kane–Mele model. The topological quantities associated with these phenomena are the conventional Chern number and spin Chern number, respectively. A recent interesting idea, time-reversal symmetry breaking via a temporary periodic external stimulation, is also discussed. PMID:27877726

  15. Investigating the adiabatic beam grouping at the NICA accelerator complex

    NASA Astrophysics Data System (ADS)

    Brovko, O. I.; Butenko, A. V.; Grebentsov, A. Yu.; Eliseev, A. V.; Meshkov, I. N.; Svetov, A. L.; Sidorin, A. O.; Slepnev, V. M.

    2016-12-01

    The NICA complex comprises the Booster and Nuclotron synchrotrons for accelerating particle beams to the required energy and the Collider machine, in which particle collisions are investigated. The experimental heavy-ion program deals with ions up to Au+79. The light-ion program deals with polarized deuterons and protons. Grouping of a beam coasting in an ion chamber is required in many parts of the complex. Beam grouping may effectively increase the longitudinal emittance and particle losses. To avoid these negative effects, various regimes of adiabatic grouping have been simulated and dedicated experiments with a deuteron beam have been conducted at the Nuclotron machine. As a result, we are able to construct and optimize the beam-grouping equipment, which provides a capture efficiency near 100% either retaining or varying the harmonic multiplicity of the HF system.

  16. 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.

  17. 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)

  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. 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.

  20. 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.

  1. Adiabatic nucleation in the liquid-vapor phase transition

    NASA Astrophysics Data System (ADS)

    de Sá, Elon M.; Meyer, Erich; Soares, Vitorvani

    2001-05-01

    The fundamental difference between classical (isothermal) nucleation theory (CNT) and adiabatic nucleation theory (ANT) is discussed. CNT uses the concept of isothermal heterophase fluctuations, while ANT depends on common fluctuations of the thermodynamic variables. Applications to the nonequilibrium liquid to vapor transition are shown. However, we cannot yet calculate nucleation frequencies. At present, we can only indicate at what temperatures and pressures copious homogeneous nucleation is expected in the liquid to vapor phase transition. It is also explained why a similar general indication cannot be made for the inverse vapor to liquid transition. Simultaneously, the validity of Peng-Robinson's equation of state [D.-Y. Peng and D. B. Robinson, Ind. Eng. Chem. Fundam. 15, 59 (1976)] is confirmed for highly supersaturated liquids.

  2. Adiabatic rotation of effective spin. II. Spin-rotational relaxation

    NASA Astrophysics Data System (ADS)

    Serebrennikov, Yu. A.; Steiner, U. E.

    1994-05-01

    The theory of electron spin-rotational (SR) relaxation in systems with an effective spin Seff=1/2 is formulated in terms of the adiabatic rotation of effective spin (ARES) approach. It is shown that SR relaxation results from the orientational random walk of the axes of the intramolecular electric field potential (ligand field) to which a spin-bearing atomic center is exposed. The validity of the stochastic treatment presented here is not limited by the Redfield conditions. The general expression obtained for the time constant of electron spin relaxation in liquid phase reproduces the well-known result of Hubbard-Atkins-Kivelson theory if it is specialized to the case of systems with weak spin-orbit coupling.

  3. 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.

  4. Crossover from adiabatic to antiadiabatic quantum pumping with dissipation.

    PubMed

    Pellegrini, Franco; Negri, C; Pistolesi, F; Manini, Nicola; Santoro, Giuseppe E; Tosatti, Erio

    2011-08-05

    Quantum pumping, in its different forms, is attracting attention from different fields, from fundamental quantum mechanics, to nanotechnology, to superconductivity. We investigate the crossover of quantum pumping from the adiabatic to the antiadiabatic regime in the presence of dissipation, and find general and explicit analytical expressions for the pumped current in a minimal model describing a system with the topology of a ring forced by a periodic modulation of frequency ω. The solution allows following in a transparent way the evolution of pumped dc current from much smaller to much larger ω values than the other relevant energy scale, the energy splitting introduced by the modulation. We find and characterize a temperature-dependent optimal value of the frequency for which the pumped current is maximal.

  5. 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.

  6. 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.

  7. Microwave photon Fock state generation by stimulated Raman adiabatic passage

    NASA Astrophysics Data System (ADS)

    Premaratne, Shavindra P.; Wellstood, F. C.; Palmer, B. S.

    2017-01-01

    The deterministic generation of non-classical states of light, including squeezed states, Fock states and Bell states, plays an important role in quantum information processing and exploration of the physics of quantum entanglement. Preparation of these non-classical states in resonators is non-trivial due to their inherent harmonicity. Here we use stimulated Raman adiabatic passage to generate microwave photon Fock states in a superconducting circuit quantum electrodynamics system comprised of a fixed-frequency transmon qubit in a three-dimensional microwave cavity at 20 mK. A two-photon process is employed to overcome a first order forbidden transition and the first, second and third Fock states are demonstrated. We also demonstrate how this all-microwave technique can be used to generate an arbitrary superposition of Fock states. Simulations of the system are in excellent agreement with the data and fidelities of 89%, 68% and 43% are inferred for the first three Fock states respectively.

  8. Design of an adiabatic demagnetization refrigerator for studies in astrophysics

    NASA Technical Reports Server (NTRS)

    Castles, S.

    1983-01-01

    An adiabatic demagnetization refrigerator was designed for cooling infrared bolometers for studies in astrophysics and aeronomy. The design was tailored to the requirements of a Shuttle sortie experiment. The refrigerator should be capable of maintaining three bolometers at 0.1 K with a 90% cycle. The advantage are of operations the bolometer at 0.1K. greater sensitivity, faster response time, and the ability to use larger bolometer elements without compromising the response time. The design presented is the first complete design of an ADR intended for use in space. The most important of these specifications are to survive a Shuttle launch, to operate with 1.5 K - 2.0 K space-pumped liquid helium as a heat sink, to have a 90% duty cycle, and to be highly efficient.

  9. 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.

  10. Broadband electrically detected magnetic resonance using adiabatic pulses

    NASA Astrophysics Data System (ADS)

    Hrubesch, F. M.; Braunbeck, G.; Voss, A.; Stutzmann, M.; Brandt, M. S.

    2015-05-01

    We present a broadband microwave setup for electrically detected magnetic resonance (EDMR) based on microwave antennae with the ability to apply arbitrarily shaped pulses for the excitation of electron spin resonance (ESR) and nuclear magnetic resonance (NMR) of spin ensembles. This setup uses non-resonant stripline structures for on-chip microwave delivery and is demonstrated to work in the frequency range from 4 MHz to 18 GHz. π pulse times of 50 ns and 70 μs for ESR and NMR transitions, respectively, are achieved with as little as 100 mW of microwave or radiofrequency power. The use of adiabatic pulses fully compensates for the microwave magnetic field inhomogeneity of the stripline antennae, as demonstrated with the help of BIR4 unitary rotation pulses driving the ESR transition of neutral phosphorus donors in silicon and the NMR transitions of ionized phosphorus donors as detected by electron nuclear double resonance (ENDOR).

  11. Broadband electrically detected magnetic resonance using adiabatic pulses.

    PubMed

    Hrubesch, F M; Braunbeck, G; Voss, A; Stutzmann, M; Brandt, M S

    2015-05-01

    We present a broadband microwave setup for electrically detected magnetic resonance (EDMR) based on microwave antennae with the ability to apply arbitrarily shaped pulses for the excitation of electron spin resonance (ESR) and nuclear magnetic resonance (NMR) of spin ensembles. This setup uses non-resonant stripline structures for on-chip microwave delivery and is demonstrated to work in the frequency range from 4 MHz to 18 GHz. π pulse times of 50 ns and 70 μs for ESR and NMR transitions, respectively, are achieved with as little as 100 mW of microwave or radiofrequency power. The use of adiabatic pulses fully compensates for the microwave magnetic field inhomogeneity of the stripline antennae, as demonstrated with the help of BIR4 unitary rotation pulses driving the ESR transition of neutral phosphorus donors in silicon and the NMR transitions of ionized phosphorus donors as detected by electron nuclear double resonance (ENDOR).

  12. 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.

  13. Nonlinear Adiabatic Passage from Fermion Atoms to Boson Molecules

    SciTech Connect

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

    2005-10-21

    We study the dynamics of an adiabatic sweep through a Feshbach resonance in a quantum gas of fermionic atoms. Analysis of the dynamical equations, supported by mean-field and many-body numerical results, shows that the dependence of the remaining atomic fraction {gamma} on the sweep rate {alpha} varies from exponential Landau-Zener behavior for a single pair of particles to a power-law dependence for large particle number N. The power law is linear, {gamma}{proportional_to}{alpha}, when the initial molecular fraction is smaller than the 1/N quantum fluctuations, and {gamma}{proportional_to}{alpha}{sup 1/3} when it is larger. Experimental data agree well with a linear dependence, but do not conclusively rule out the Landau-Zener model.

  14. 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.

  15. 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.

  16. 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.

  17. Quantum and classical non-adiabatic dynamics of Li_{2}^{+}Ne photodissociation

    NASA Astrophysics Data System (ADS)

    Pouilly, Brigitte; Monnerville, Maurice; Zanuttini, David; Gervais, Benoît

    2015-01-01

    The 3D photodissociation dynamics of Li2+Ne system is investigated by quantum calculations using the multi-configuration time-dependent Hartree (MCTDH) method and by classical simulations with the trajectory surface hopping (TSH) approach. Six electronic states of A’ symmetry and two states of A” symmetry are involved in the process. Couplings in the excitation region and two conical intersections in the vicinity of the Franck-Condon zone control the non-adiabatic nuclear dynamics. A diabatic representation including all the states and the couplings is determined. Diabatic and adiabatic populations calculated for initial excitation to pure diabatic and adiabatic states lead to a clear understanding of the mechanisms governing the non-adiabatic photodissociation process. The classical and quantum photodissociation cross-sections for absorption in two adiabatic states of the A’ symmetry are calculated. A remarkable agreement between quantum and classical results is obtained regarding the populations and the absorption cross-sections.

  18. Adiabatic tracking for photo- and magneto-association of Bose-Einstein condensates with Kerr nonlinearities

    NASA Astrophysics Data System (ADS)

    Gevorgyan, Mariam; Guérin, Stéphane; Leroy, Claude; Ishkhanyan, Artur; Jauslin, Hans-Rudolf

    2016-11-01

    We develop the method of adiabatic tracking for photo- and magneto-association of Bose-Einstein atomic condensates with models that include Kerr type nonlinearities. We show that the inclusion of these terms can produce qualitatively important modifications in the adiabatic dynamics, like the appearance of bifurcations, in which the trajectory that is being tracked loses its stability. As a consequence the adiabatic theorem does not apply and the adiabatic transfer can be strongly degraded. This degradation can be compensated by using fields that are strong enough compared with the values of the Kerr terms. The main result is that, despite these potentially detrimental features, there is always a choice of the detuning that leads to an efficient adiabatic tracking, even for relatively weak fields.

  19. Effects of preheat and mix on the fuel adiabat of an imploding capsule

    NASA Astrophysics Data System (ADS)

    Cheng, B.; Kwan, T. J. T.; Wang, Y. M.; Yi, S. A.; Batha, S. H.; Wysocki, F. J.

    2016-12-01

    We demonstrate the effect of preheat, hydrodynamic mix and vorticity on the adiabat of the deuterium-tritium (DT) fuel in fusion capsule experiments. We show that the adiabat of the DT fuel increases resulting from hydrodynamic mixing due to the phenomenon of entropy of mixture. An upper limit of mix, Mclean/MDT ≥ 0.98, is found necessary to keep the DT fuel on a low adiabat. We demonstrate in this study that the use of a high adiabat for the DT fuel in theoretical analysis and with the aid of 1D code simulations could explain some aspects of 3D effects and mix in capsule implosion. Furthermore, we can infer from our physics model and the observed neutron images the adiabat of the DT fuel in the capsule and the amount of mix produced on the hot spot.

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

    PubMed Central

    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

  1. Is the addition of an assisted driving Hamiltonian always useful for adiabatic evolution?

    NASA Astrophysics Data System (ADS)

    Sun, Jie; Lu, Songfeng; Li, Li

    2017-04-01

    It has been known that when an assisted driving item is added to the main system Hamiltonian, the efficiency of the resultant adiabatic evolution can be significantly improved. In some special cases, it can be seen that only through adding an assisted driving Hamiltonian can the resulting adiabatic evolution be made not to fail. Thus the additional driving Hamiltonian plays an important role in adiabatic computing. In this paper, we show that if the driving Hamiltonian is chosen inappropriately, the adiabatic computation may still fail. More importantly, we find that the adiabatic computation can only succeed if the assisted driving Hamiltonian has a relatively fixed form. This may help us understand why in the related literature all of the driving Hamiltonians used share the same form.

  2. 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.

  3. The Adiabatic Contraction of Dark Matter Halos in Numerical Simulations

    NASA Astrophysics Data System (ADS)

    Jesseit, R.; Burkert, A.; Naab, T.

    The flatness of rotation curves in the outer parts of galaxies led to the postulation of a dark component to compensate for the missing mass. The origin of this component is still unknown. Bahcall & Soneira first pointed out in 1985 that a unique ratio for disk to halo mass is needed to produce the flat and featureless rotation curves in agreement with observations. They called this the disk-halo conspiracy. To explain this conspiracy Blumenthal et al. proposed that an adiabtically forming baryonic disk can influence the density structure of its surrounding dark halo. They assumed that the time scale of the baryonic infall is very slow such and the change of mass inside the orbit of a dark matter particle is neglegible. They further assumed that the dark matter particles revolve on circular orbits and are dissipationless. In this case their radial action integral is an adiabatic invariant during the contraction. Blumenthal et al. could find the final density profile of the dark matter, if the final distribution of the baryonic matter is known, through an iterative algorithm. We tested the above assumptions using collisionless N-body simulations. We set up a dark matter halo with a Hernquist density profile and analytically added the potential of an exponential disk. Initially the disk had a very large scale length compared to the halo scale length. During the simulation we reduced the sclae length of the disk and followed the evolution of the dark component. We examined different contraction speeds as well as different combinations of disk mass and scale lenght. We find that the theoretical prediction for the adiabatic contraction is

  4. 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.

  5. 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.

  6. Analysis and iterative equalization of transient and adiabatic chirp effects in DML-based OFDM transmission systems.

    PubMed

    Wei, Chia-Chien

    2012-11-05

    This work theoretically studies the transmission performance of a DML-based OFDM system by small-signal approximation, and the model considers both the transient and adiabatic chirps. The dispersion-induced distortion is modeled as subcarrier-to-subcarrier intermixing interference (SSII), and the theoretical SSII agrees with the distortion obtained from large-signal simulation statistically and deterministically. The analysis shows that the presence of the adiabatic chirp will ease power fading or even provide gain, but will increase the SSII to deteriorate OFDM signals after dispersive transmission. Furthermore, this work also proposes a novel iterative equalization to eliminate the SSII. From the simulation, the distortion could be effectively mitigated by the proposed equalization such that the maximum transmission distance of the DML-based OFDM signal is significantly improved. For instance, the transmission distance of a 30-Gbps DML-based OFDM signal can be extended from 10 km to more than 100 km. Besides, since the dispersion-induced distortion could be effectively mitigated by the equalization, negative power penalties are observed at some distances due to chirp-induced power gain.

  7. Using a magnetized plasma jet colliding with a heavy gas cloud to investigate MIF adiabatic heating and compression mechanisms

    NASA Astrophysics Data System (ADS)

    Bellan, Paul; Wongwaitayakornkul, Pakorn; Chai, Kil-Byoung; Greig, Amelia; Li, Hui

    2015-11-01

    Magnetized inertial fusion (MIF) is based on having an imploding liner adiabatically compress a magnetized plasma to the density and temperature required for thermonuclear fusion. The goal of the Caltech research program is to determine the scaling of the temperature and density increase when an actual experimental plasma is adiabatically compressed. The plasma parameters will be more modest than a fusion-grade configuration, but in compensation, the shot repetition rate will be much higher and the experiments will be non-destructive. The non-destructive feature results from having a high-speed magnetized plasma jet impact a localized heavy gas. From the point of view of an observer in the frame of the magnetized plasma jet, it will look as if the heavy gas is impacting and compressing the magnetized plasma and so, except for some geometrical differences, the configuration is equivalent to a liner impacting and compressing a stationary magnetized plasma. The experiment will be modeled by 3D numerical MHD and PIC codes. (as of approximately September 15).

  8. 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.

  9. DALI: Derivative Approximation for LIkelihoods

    NASA Astrophysics Data System (ADS)

    Sellentin, Elena

    2015-07-01

    DALI (Derivative Approximation for LIkelihoods) is a fast approximation of non-Gaussian likelihoods. It extends the Fisher Matrix in a straightforward way and allows for a wider range of posterior shapes. The code is written in C/C++.

  10. Taylor Approximations and Definite Integrals

    ERIC Educational Resources Information Center

    Gordon, Sheldon P.

    2007-01-01

    We investigate the possibility of approximating the value of a definite integral by approximating the integrand rather than using numerical methods to approximate the value of the definite integral. Particular cases considered include examples where the integral is improper, such as an elliptic integral. (Contains 4 tables and 2 figures.)

  11. Evaporative cooling of air in an adiabatic channel with partially wetted zones

    NASA Astrophysics Data System (ADS)

    Terekhov, V. I.; Gorbachev, M. V.; Khafaji, H. Q.

    2016-03-01

    The paper deals with the numerical study of heat and mass transfer in the process of direct evaporation air cooling in the laminar flow of forced convection in a channel between two parallel insulated plates with alternating wet and dry zones along the length. The system of Navier-Stokes equations and equations of energy and steam diffusion are being solved in two-dimensional approximation. At the channel inlet, all thermal gas-dynamic parameters are constant over the cross section, and the channel walls are adiabatic. The studies were carried out with varying number of dry zones ( n = 0-16), their relative length ( s/l = 0-1) and Reynolds number Re = 50-1000 in the flow of dry air (φ0 = 0) with a constant temperature at the inlet (T 0 = 30 °C). The main attention is paid to optimization analysis of evaporation cell characteristics. It is shown that an increase in the number of alternating steps leads to an increase in the parameters of thermal and humid efficiency. With an increase in Re number and a decrease in the extent of wet areas, the efficiency parameter reduces.

  12. 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.

  13. How fissors works: observing vibrationally adiabatic conformational change through femtosecond stimulated Raman spectroscopy.

    PubMed

    Cina, Jeffrey A; Kovac, Philip A

    2013-07-25

    With the help of a two-dimensional model system comprising a slow conformational degree of freedom and a higher-frequency vibration, we investigate the molecular-level origin and dynamical information content of femtosecond stimulated Raman spectroscopy (fissors) signals. Our treatment avails itself of the time scale separation between conformational and vibrational modes by incorporating a vibrationally adiabatic approximation to the conformational dynamics. We derive an expression for the fissors signal without resort to the macroscopic concepts of light- and phonon-wave propagation employed in prior coupled-wave analyses. Numerical calculations of fissors spectra illustrate the case of relatively small conformational mass (still large enough that conformational motion does not induce any change in the vibrational quantum number) in which conformational sidebands accompany a central peak in the Raman gain at a conformationally averaged vibrational transition frequency, and the case of a larger conformational mass in which the sidebands merge with the central peak and the frequency of the latter tracks the time-evolving conformational coordinate.

  14. The diffusion approximation and transport theory for cosmic rays in relativistic flows

    NASA Technical Reports Server (NTRS)

    Webb, G. M.

    1989-01-01

    Equations describing the transport of cosmic rays in relativistic flows in the diffusion approximation are obtained. The analysis is based on the zeroth, first, and second differential moment equations of the relativistic Boltzmann equation with a BGK collision term. A perturbation solution of the moment equations in the diffusion approximation yields both the co-moving frame particle current and viscous stresses. The resultant cosmic-ray continuity equation contains three readily recognized energy change terms: the adiabatic energy change term; the viscous shear energy change term; and a term proportional to the scalar product of the acceleration vector of the scattering frame and the heat flux.

  15. 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.

  16. 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

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

    SciTech Connect

    Kumar, Dinesh; Thapliyal, Himanshu; 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.

  18. Arbitrary amplitude electro-acoustic solitary waves in an adiabatic dusty plasma

    NASA Astrophysics Data System (ADS)

    Tanjia, Fatema; Mamun, A. A.

    2008-12-01

    The properties of different types of electro-acoustic (namely ion-acoustic (IA), dust ion-acoustic (DIA), and dust-acoustic (DA)) solitary waves (SWs) in an adiabatic dusty plasma (containing negatively charged cold dust, adiabatic hot ions and inertia-less adiabatic hot electrons) are investigated by the pseudo-potential approach. The combined effects of the adiabatic electrons and ions, and negatively charged dust on the basic properties (critical Mach number, amplitude and width) of the arbitrary amplitude electro-acoustic SWs are systematically and explicitly examined. It is found that the combined effects of the adiabatic electrons and ions, and negatively charged dust significantly modify the basic properties (critical Mach number, amplitude and width) of the SWs. It is also found that due to the effect of the adiabaticity of electrons, the negative DIA SWs (which are found to exist in a dusty plasma containing isothermal electrons, cold ions and negatively charged static dust) disappear, i.e. due to the effect of adiabatic electrons, one cannot have negative DIA SWs for any possible set of dusty plasma parameters.

  19. 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.

  20. 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.

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

    NASA Astrophysics Data System (ADS)

    Bates, Jefferson E.; Furche, Filipp

    2013-11-01

    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.

  2. 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.

  3. 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.

  4. 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.

  5. Stochasticity, superadiabaticity, and the theory of adiabatic invariants and guiding center motion

    SciTech Connect

    Dubin, D.H.E.; Krommes, J.A.

    1981-07-01

    The theory of adiabatic invariants is discussed within the modern framework of symplectic Hamiltonian dynamics. The distinctions between exact, adiabatic, and superadiabatic invariants are clarified. The intimate connection between adiabatic (as opposed to exact) invariance and resonant interactions between motions on disparate time scales is elucidated. For the important case of charged particle motion in a strong magnetic field, resonances between gyration, bounce motion, and an external sinusoidal perturbation are described explicitly by introducing a time-dependent symplectic formulation of the guiding center motion. Destruction of invariance is discussed for quite general situations of physical interest, including the case of a trapped particle in a tokamak.

  6. Resonant modal interactions and adiabatic invariance for a nonlinear wave equation in a variable domain

    NASA Astrophysics Data System (ADS)

    Kevorkian, J.; Li, H. K.

    1984-08-01

    The technique of isolating and order reducing transformations for computing adiabatic invariants in finite-degree-of-freedom Hamiltonian sytems is extended to the case of the non-Hamiltonian modal representation of a wave equation with weak nonlinearities in a slowly varying domain. The mechanism of resonant interactions for two or more normal modes whereby the associated actions change rapidly in a short period is exhibited. In the Hamiltonian problem there are a number of global adiabatic invariants associated with each resonance. Conditions for which similar adiabatic invariants can be found for the non-Hamiltonian case are derived. The results are then verified by extensive numerical computations.

  7. ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization.

    PubMed

    Fingerhut, Benjamin P; Oesterling, Sven; Haiser, Karin; Heil, Korbinian; Glas, Andreas; Schreier, Wolfgang J; Zinth, Wolfgang; Carell, Thomas; de Vivie-Riedle, Regina

    2012-05-28

    Non-adiabatic on-the-fly molecular dynamics (NA-O-MD) simulations require the electronic wavefunction, energy gradients, and derivative coupling vectors in every timestep. Thus, they are commonly restricted to the excited state dynamics of molecules with up to ≈20 atoms. We discuss an approximation that combines the ONIOM(QM:QM) method with NA-O-MD simulations to allow calculations for larger molecules. As a proof of principle we present the excited state dynamics of a (6-4)-lesion containing dinucleotide (63 atoms), and especially the importance to include the confinement effects of the DNA backbone. The method is able to include electron correlation on a high level of theory and offers an attractive alternative to QM:MM approaches for moderate sized systems with unknown force fields.

  8. ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization

    NASA Astrophysics Data System (ADS)

    Fingerhut, Benjamin P.; Oesterling, Sven; Haiser, Karin; Heil, Korbinian; Glas, Andreas; Schreier, Wolfgang J.; Zinth, Wolfgang; Carell, Thomas; de Vivie-Riedle, Regina

    2012-05-01

    Non-adiabatic on-the-fly molecular dynamics (NA-O-MD) simulations require the electronic wavefunction, energy gradients, and derivative coupling vectors in every timestep. Thus, they are commonly restricted to the excited state dynamics of molecules with up to ≈20 atoms. We discuss an approximation that combines the ONIOM(QM:QM) method with NA-O-MD simulations to allow calculations for larger molecules. As a proof of principle we present the excited state dynamics of a (6-4)-lesion containing dinucleotide (63 atoms), and especially the importance to include the confinement effects of the DNA backbone. The method is able to include electron correlation on a high level of theory and offers an attractive alternative to QM:MM approaches for moderate sized systems with unknown force fields.

  9. Hysteresis loops and adiabatic Landau-Zener-Stückelberg transitions in the magnetic molecule {V6}.

    PubMed

    Rousochatzakis, I; Ajiro, Y; Mitamura, H; Kögerler, P; Luban, M

    2005-04-15

    We have observed hysteresis loops and abrupt magnetization steps in the magnetic molecule {V(6)}, where each molecule comprises a pair of identical spin triangles, in the temperature range 1-5 K for external magnetic fields B with sweep rates of several Tesla per millisecond executing a variety of closed cycles. The hysteresis loops are accurately reproduced using a generalization of the Bloch equation based on direct one-phonon transitions between the instantaneous Zeeman-split levels of the ground state (an S=1/2 doublet) of each spin triangle. The magnetization steps occur for B approximately 0, and they are explained in terms of adiabatic Landau-Zener-Stückelberg transitions between the lowest magnetic energy levels as modified by an intertriangle anisotropic exchange of order 0.4 K.

  10. Salt Pill Design and Fabrication for Adiabatic Demagnetization Refrigerators

    NASA Technical Reports Server (NTRS)

    Shirron, Peter J.; Mccammon, Dan

    2014-01-01

    The performance of an adiabatic demagnetization refrigerator (ADR) is critically dependent on the design and construction of the salt pills that produce cooling. In most cases, the primary goal is to obtain the largest cooling capacity at the low temperature end of the operating range. The realizable cooling capacity depends on a number of factors, including refrigerant mass, and how efficiently it absorbs heat from the various instrument loads. The design and optimization of "salt pills" for ADR systems depend not only on the mechanical, chemical and thermal properties of the refrigerant, but also on the range of heat fluxes that the salt pill must accommodate. Despite the fairly wide variety of refrigerants available, those used at very low temperature tend to be hydrated salts that require a dedicated thermal bus and must be hermetically sealed, while those used at higher temperature - greater than about 0.5 K - tend to be single-­- or poly-­-crystals that have much simpler requirements for thermal and mechanical packaging. This paper presents a summary of strategies and techniques for designing, optimizing and fabricating salt pills for both low-­- and mid-­-temperature applications.

  11. 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.

  12. 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.

  13. Resource efficient gadgets for compiling adiabatic quantum optimization problems

    NASA Astrophysics Data System (ADS)

    Babbush, Ryan; O'Gorman, Bryan; Aspuru-Guzik, Alán

    2013-11-01

    We develop a resource efficient method by which the ground-state of an arbitrary k-local, optimization Hamiltonian can be encoded as the ground-state of a (k-1)-local optimization Hamiltonian. This result is important because adiabatic quantum algorithms are often most easily formulated using many-body interactions but experimentally available interactions are generally 2-body. In this context, the efficiency of a reduction gadget is measured by the number of ancilla qubits required as well as the amount of control precision needed to implement the resulting Hamiltonian. First, we optimize methods of applying these gadgets to obtain 2-local Hamiltonians using the least possible number of ancilla qubits. Next, we show a novel reduction gadget which minimizes control precision and a heuristic which uses this gadget to compile 3-local problems with a significant reduction in control precision. Finally, we present numerics which indicate a substantial decrease in the resources required to implement randomly generated, 3-body optimization Hamiltonians when compared to other methods in the literature.

  14. Thermodynamics Analysis of Refinery Sludge Gasification in Adiabatic Updraft Gasifier

    PubMed Central

    Ahmed, Reem; Sinnathambi, Chandra M.; Eldmerdash, Usama; Subbarao, Duvvuri

    2014-01-01

    Limited information is available about the thermodynamic evaluation for biomass gasification process using updraft gasifier. Therefore, to minimize errors, the gasification of dry refinery sludge (DRS) is carried out in adiabatic system at atmospheric pressure under ambient air conditions. The objectives of this paper are to investigate the physical and chemical energy and exergy of product gas at different equivalent ratios (ER). It will also be used to determine whether the cold gas, exergy, and energy efficiencies of gases may be maximized by using secondary air injected to gasification zone under various ratios (0, 0.5, 1, and 1.5) at optimum ER of 0.195. From the results obtained, it is indicated that the chemical energy and exergy of producer gas are magnified by 5 and 10 times higher than their corresponding physical values, respectively. The cold gas, energy, and exergy efficiencies of DRS gasification are in the ranges of 22.9–55.5%, 43.7–72.4%, and 42.5–50.4%, respectively. Initially, all 3 efficiencies increase until they reach a maximum at the optimum ER of 0.195; thereafter, they decline with further increase in ER values. The injection of secondary air to gasification zone is also found to increase the cold gas, energy, and exergy efficiencies. A ratio of secondary air to primary air of 0.5 is found to be the optimum ratio for all 3 efficiencies to reach the maximum values. PMID:24672368

  15. Progress in the Development of a Continuous Adiabatic Demagnetization Refrigerator

    NASA Technical Reports Server (NTRS)

    Shirron, Peter; Canavan, Edgar; DiPirro, Michael; Jackson, Michael; King, Todd; Tuttle, James; Krebs, Carolyn A. (Technical Monitor)

    2002-01-01

    We report on recent progress in the development of a continuous adiabatic demagnetization refrigerator (CADR). Continuous operation avoids the constraints of long hold times and short recycle times that lead to the generally large mass of single-shot ADRs, allowing us to achieve an order of magnitude larger cooling power per unit mass. Our current design goal is 10 micro W of cooling at 50 mK using a 6-10 K heat sink. The estimated mass is less than 10 kg, including magnetic shielding of each stage. The relatively high heat rejection capability allows it to operate with a mechanical cryocooler as part of a cryogen-free, low temperature cooling system. This has the advantages of long mission life and reduced complexity and cost. We have assembled a three-stage CADR and have demonstrated continuous cooling using a superfluid helium bath as the heat sink. The temperature stability is 8 micro K rms or better over the entire cycle, and the cooling power is 2.5 micro W at 60 mK rising to 10 micro W at 100 mK.

  16. Adiabatic calorimetric decomposition studies of 50 wt.% hydroxylamine/water.

    PubMed

    Cisneros, L O; Rogers, W J; Mannan, M S

    2001-03-19

    Calorimetric data can provide a basis for determining potential hazards in reactions, storage, and transportation of process chemicals. This work provides calorimetric data for the thermal decomposition behavior in air of 50wt.% hydroxylamine/water (HA), both with and without added stabilizers, which was measured in closed cells with an automatic pressure tracking adiabatic calorimeter (APTAC). Among the data provided are onset temperatures, reaction order, activation energies, pressures of noncondensable products, thermal stability at 100 degrees C, and the effect of HA storage time. Discussed also are the catalytic effects of carbon steel, stainless steel, stainless steel with silica coating, inconel, titanium, and titanium with silica coating on the reaction self-heat rates and onset temperatures. In borosilicate glass cells, HA was relatively stable at temperatures up to 133 degrees C, where the HA decomposition self-heat rate reached 0.05 degrees C/min. The added stabilizers appeared to reduce HA decomposition rates in glass cells and at ambient temperatures. The tested metals and metal surfaces coated with silica acted as catalysts to lower the onset temperatures and increase the self-heat rates.

  17. Shortcuts to Adiabaticity in Transport of a Single Trapped Ion

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

    We report an experimental study on shortcuts to adiabaticity in the transport of a single 171Yb+ ion trapped in a harmonic potential. In these driving schemes, the application of a force induces a nonadiabatic dynamics in which excitations are tailored so as to preserve the ion motional state in the ground state upon completion of the process. We experimentally apply the laser induced force and realize three different protocols: (1) a transitionless driving with a counterdiabatic term out of phase with the displacement force, (2) a classical protocol assisted by counterdiabatic fields in phase with the main force, (3) and an engineered transport protocol based on the Fourier transform of the trap acceleration. We experimentally compare and discuss the robustness of these protocols under given experimental limitations such as trap frequency drifts. This work was supported by the National Basic Research Program of China under Grants No. 2011CBA00300 (No. 2011CBA00301), the National Natural Science Foundation of China 11374178, and the University of Massachusetts Boston (No. P20150000029279).

  18. Nonequilibrium adiabatic molecular dynamics simulations of methane clathrate hydrate decomposition

    NASA Astrophysics Data System (ADS)

    Alavi, Saman; Ripmeester, J. A.

    2010-04-01

    Nonequilibrium, constant energy, constant volume (NVE) molecular dynamics simulations are used to study the decomposition of methane clathrate hydrate in contact with water. Under adiabatic conditions, the rate of methane clathrate decomposition is affected by heat and mass transfer arising from the breakup of the clathrate hydrate framework and release of the methane gas at the solid-liquid interface and diffusion of methane through water. We observe that temperature gradients are established between the clathrate and solution phases as a result of the endothermic clathrate decomposition process and this factor must be considered when modeling the decomposition process. Additionally we observe that clathrate decomposition does not occur gradually with breakup of individual cages, but rather in a concerted fashion with rows of structure I cages parallel to the interface decomposing simultaneously. Due to the concerted breakup of layers of the hydrate, large amounts of methane gas are released near the surface which can form bubbles that will greatly affect the rate of mass transfer near the surface of the clathrate phase. The effects of these phenomena on the rate of methane hydrate decomposition are determined and implications on hydrate dissociation in natural methane hydrate reservoirs are discussed.

  19. Adiabatic Demagnetisation Refrigerators for Future Sub-Millimetre Space Missions

    NASA Astrophysics Data System (ADS)

    Hepburn, I. D.; Davenport, I.; Smith, A.

    1995-10-01

    Space worthy refrigeration capable of providing a 100 mK and below heat load sink for bolometric detectors will be required for the next generation of sub-millimetre space missions. Adiabatic demagnetisation refrigeration (ADR), being a gravity independent laboratory method for obtaining such temperatures, is a favourable technique for utilisation in space. We show that by considering a 3 salt pill refrigerator rather than the classic single salt pill design the space prohibitive laboratory ADR properties of high magnetic field (6 Tesla) and a<2 K environment (provided by a bath of liquid4He) can be alleviated, while maintaining a sufficient low temperature hold time and short recycle time. The additional salt pills, composed of Gadolinium Gallium Garnet (GGG) provide intermediate cooling stages, enabling operation from a 4 K environment provided by a single 4 K mechanical cooler, thereby providing consumable free operation. Such ADRs could operate with fields as low as 1 Tesla allowing the use of high temperature, mechanically cooled superconducting magnets and so effectively remove the risk of quenching. We discuss the possibility of increasing the hold time from 3 hours, for the model presented, to between 40 and 80 hours, plus reducing the number of salt pills to two, through the use of a more efficient Garnet. We believe the technical advances necessitated by the envisaged ADRs are minimal and conclude that such ADRs offer a long orbital life time, consumable free, high efficiency means of milli-Kelvin cooling, requiring relatively little laboratory development.

  20. Experimental Progress Toward Multiple Adiabatic Rapid Passage Sequences

    NASA Astrophysics Data System (ADS)

    Miao, X.; Wertz, E.; Cohen, M. G.; Metcalf, H.

    2006-05-01

    Multiple repetitions of adiabatic rapid passage (ARP) sweeps with counterpropagating light beams can enable huge optical forces on atoms. The repetition rate of the ARP sweeps φsγ results in a force k φs/πk γ/2 ≡Frad where 1/γ≡τ is the excited state lifetime and Frad is the ordinary radiative force. This is because each pair of ARP-induced inversions can coherently transfer momentum ±2 k between the light beams, and thus 2 k to the atoms. In developing instruments for such experiments on the 2^3S1-> 2^3P2 transition at λ = 1083 nm in He, we exploit recent developments in the optical communications industry. We use commercial phase and intensity modulators of the LiNbO3 waveguide type having Vπ as low as 6 V and thus requiring relatively low rf power for the modulation. Synchronized driving of the two modulators can produce the necessary multiple ARP sequences of 10 ns chirped pulses that span several GHz, as needed for the experiment^3. We are also developing optical methods for characterizing these pulses. T. Lu, X. Miao, and H. Metcalf, Phys., Rev. A 71 061405(R) (2005).