Degenerate adiabatic perturbation theory: Foundations and applications
NASA Astrophysics Data System (ADS)
Rigolin, Gustavo; Ortiz, Gerardo
2014-08-01
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010), 10.1103/PhysRevLett.104.170406], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012), 10.1103/PhysRevA.85.062111]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.
Non-adiabatic perturbations in Ricci dark energy model
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.
Non-adiabatic perturbations in multi-component perfect fluids
Koshelev, N.A.
2011-04-01
The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.
Adiabaticity and gravity theory independent conservation laws for cosmological perturbations
NASA Astrophysics Data System (ADS)
Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao
2016-04-01
We carefully study the implications of adiabaticity for the behavior of cosmological perturbations. There are essentially three similar but different definitions of non-adiabaticity: one is appropriate for a thermodynamic fluid δPnad, another is for a general matter field δPc,nad, and the last one is valid only on superhorizon scales. The first two definitions coincide if cs2 = cw2 where cs is the propagation speed of the perturbation, while cw2 = P ˙ / ρ ˙ . Assuming the adiabaticity in the general sense, δPc,nad = 0, we derive a relation between the lapse function in the comoving slicing Ac and δPnad valid for arbitrary matter field in any theory of gravity, by using only momentum conservation. The relation implies that as long as cs ≠cw, the uniform density, comoving and the proper-time slicings coincide approximately for any gravity theory and for any matter field if δPnad = 0 approximately. In the case of general relativity this gives the equivalence between the comoving curvature perturbation Rc and the uniform density curvature perturbation ζ on superhorizon scales, and their conservation. This is realized on superhorizon scales in standard slow-roll inflation. We then consider an example in which cw =cs, where δPnad = δPc,nad = 0 exactly, but the equivalence between Rc and ζ no longer holds. Namely we consider the so-called ultra slow-roll inflation. In this case both Rc and ζ are not conserved. In particular, as for ζ, we find that it is crucial to take into account the next-to-leading order term in ζ's spatial gradient expansion to show its non-conservation, even on superhorizon scales. This is an example of the fact that adiabaticity (in the thermodynamic sense) is not always enough to ensure the conservation of Rc or ζ.
Palenik, Mark C.; Dunlap, Brett I.
2015-07-28
Despite the fundamental importance of electron density in density functional theory, perturbations are still usually dealt with using Hartree-Fock-like orbital equations known as coupled-perturbed Kohn-Sham (CPKS). As an alternative, we develop a perturbation theory that solves for the perturbed density directly, removing the need for CPKS. This replaces CPKS with a true Hohenberg-Kohn density perturbation theory. In CPKS, the perturbed density is found in the basis of products of occupied and virtual orbitals, which becomes ever more over-complete as the size of the orbital basis set increases. In our method, the perturbation to the density is expanded in terms of a series of density basis functions and found directly. It is possible to solve for the density in such a way that it makes the total energy stationary even if the density basis is incomplete.
Mazumdar, Anupam
2004-06-18
We discuss a unique possibility of generating adiabatic density perturbations and leptogenesis from the spatial fluctuations of the inflaton decay rate. The key assumption is that the initial isocurvature perturbations are created in the right-handed sneutrino sector during inflation which is then converted into adiabatic perturbations when the inflaton decays. We discuss distinct imprints on the cosmic microwave background radiation, which can distinguish nonthermal versus thermal leptogenesis. PMID:15245073
Adiabatic and isocurvature perturbation projections in multi-field inflation
NASA Astrophysics Data System (ADS)
Gordon, Chris; Saffin, Paul M.
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.
Adiabatic approximation for the density matrix
NASA Astrophysics Data System (ADS)
Band, Yehuda B.
1992-05-01
An adiabatic approximation for the Liouville density-matrix equation which includes decay terms is developed. The adiabatic approximation employs the eigenvectors of the non-normal Liouville operator. The approximation is valid when there exists a complete set of eigenvectors of the non-normal Liouville operator (i.e., the eigenvectors span the density-matrix space), the time rate of change of the Liouville operator is small, and an auxiliary matrix is nonsingular. Numerical examples are presented involving efficient population transfer in a molecule by stimulated Raman scattering, with the intermediate level of the molecule decaying on a time scale that is fast compared with the pulse durations of the pump and Stokes fields. The adiabatic density-matrix approximation can be simply used to determine the density matrix for atomic or molecular systems interacting with cw electromagnetic fields when spontaneous emission or other decay mechanisms prevail.
Adiabatic perturbation theory of electronic stopping in insulators
NASA Astrophysics Data System (ADS)
Horsfield, Andrew P.; Lim, Anthony; Foulkes, W. M. C.; Correa, Alfredo A.
2016-06-01
A model able to explain the complicated structure of electronic stopping at low velocities in insulating materials is presented. It is shown to be in good agreement with results obtained from time-dependent density-functional theory for the stopping of a channeling Si atom in a Si crystal. If we define the repeat frequency f =v /λ , where λ is the periodic repeat length of the crystal along the direction the channeling atom is traveling, and v is the velocity of the channeling atom, we find that electrons experience a perturbing force that varies in time at integer multiples l of f . This enables electronic excitations at low atom velocity, but their contributions diminish rapidly with increasing values of l . The expressions for stopping power are derived using adiabatic perturbation theory for many-electron systems, and they are then specialized to the case of independent electrons. A simple model for the nonadiabatic matrix elements is described, along with the procedure for determining its parameters.
Canonical density matrix perturbation theory.
Niklasson, Anders M N; Cawkwell, M J; Rubensson, Emanuel H; Rudberg, Elias
2015-12-01
Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free-energy ensembles in tight-binding, Hartree-Fock, or Kohn-Sham density-functional theory. The canonical density matrix perturbation theory can be used to calculate temperature-dependent response properties from the coupled perturbed self-consistent field equations as in density-functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large nonmetallic materials and metals at high temperatures. PMID:26764847
Quantum corrections during inflation and conservation of adiabatic perturbations
Campo, David
2010-02-15
The possibility that quantum corrections break the conservation of superhorizon adiabatic perturbations in single field inflation is examined. I consider the lowest order corrections from massless matter fields in the Hamiltonian formalism. Particular emphasis is therefore laid on the renormalization. The counterterms are the same as in the Lagrangian formalism. The renormalized value of the tadpole is zero. I find a possible secular dependence of the power spectrum at one loop due to the trace anomaly, but this result depends on the approximation of the modes and is inconclusive. The symmetry (not) violated by the quantum corrections is the invariance by dilatation. Perspectives on the backreaction problem are briefly discussed.
The density temperature and the dry and wet virtual adiabats
NASA Technical Reports Server (NTRS)
Bartlo, J.; Betts, Alan K.
1991-01-01
A density temperature is introduced to represent virtual temperature and potential temperature on thermodynamic diagrams. This study reviews how the dry and wet virtual adiabats can be used to represent stability and air parcel density for unsaturated and cloudy air, and present formula and tabulations.
Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere.
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
Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere
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
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
Adiabatic corrections to density functional theory energies and wave functions.
Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas
2008-09-25
The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT. PMID:18537228
Degenerate Open Shell Density Perturbation Theory
NASA Astrophysics Data System (ADS)
Palenik, Mark; Dunlap, Brett
The density perturbation theory (DPT) methodology we have developed applies the Hohenberg-Kohn theorem to perturbations in density functional theory. At each order, the energy is directly minimized with respect to the density at all lower orders. The difference between the perturbed and unperturbed densities is expanded in terms of a finite number of basis functions, and a single matrix inversion in this space reduces the complexity of the problem to that of non-interacting perturbation theory. For open-shell systems with symmetry, however, the situation becomes more complex. Typically, the perturbation will break the symmetry leading to a zeroth-order shift in the Kohn-Sham potential. Because the symmetry breaking is independent of the strength of the perturbation, the mapping from the initial to the perturbed KS potential is discontinuous and techniques from perturbation theory for noninteracting particles fail. We describe a rigorous formulation of DPT for use in systems that display an initial degeneracy, such as atoms and Fe55Cp*12 clusters and present initial calculations on these systems.
Turbulent Density Variations in Non-Adiabatic Interstellar Fluids
NASA Astrophysics Data System (ADS)
Higdon, J. C.; Conley, Alex
1998-05-01
Analyses of radio scintillation measurements have demonstrated (e.g., Rickett, ARAA, 28, 561, 1990) the existence of ubiquitous turbulent density fluctuations in the interstellar medium. Higdon (ApJ, 309, 342, 1986) and Goldreich and Sridhar (ApJ, 438, 763 1995) have modeled successfully these density variations as entropy structures distorted by convection in anisotropic magnetohydrodynamic turbulent flows. However, the interstellar medium is a heterogeneous non-adiabatic fluid whose thermal properties result ( Field, ApJ, 142, 531 1965) from a balance of heating and cooling rates. The effect of the non-adiabatic nature of interstellar fluids on the properties of turbulent cascades to small scales has not been considered previously. We find that in thermally stable fluids that the required balance of heating and cooling decreases the amplitudes of entropy structures independently of their spatial scale. Consequently, we show that if the time scale for turbulent flows to cascade to small scales is significantly greater than the cooling time of an interstellar fluid, the generation of turbulent denisty density variations at large wave numbers is greatly suppressed. Such results constrain possible values for the turbulent outer scale in models of interstellar turbulent flows.
Adiabatic perturbations in pre-big bang models: Matching conditions and scale invariance
NASA Astrophysics Data System (ADS)
Durrer, Ruth; Vernizzi, Filippo
2002-10-01
At low energy, the four-dimensional effective action of the ekpyrotic model of the universe is equivalent to a slightly modified version of the pre-big bang model. We discuss cosmological perturbations in these models. In particular we address the issue of matching the perturbations from a collapsing to an expanding phase. We show that, under certain physically motivated and quite generic assumptions on the high energy corrections, one obtains n=0 for the spectrum of scalar perturbations in the original pre-big bang model (with a vanishing potential). With the same assumptions, when an exponential potential for the dilaton is included, a scale invariant spectrum (n=1) of adiabatic scalar perturbations is produced under very generic matching conditions, both in a modified pre-big bang and ekpyrotic scenario. We also derive the resulting spectrum for arbitrary power law scale factors matched to a radiation-dominated era.
Perturbation calculation of thermodynamic density of states
Brown, Greg; Schulthess, Thomas C; Nicholson, Don M; Eisenbach, Markus; Stocks, George Malcolm
2011-01-01
The density of states g( ) is frequently used to calculate the temperature-dependent properties of a thermodynamic system. Here a derivation is given for calculating the warped density of states g ( ) resulting from the addition of a perturbation. The method is validated for a classical Heisenberg model of bcc Fe and the errors in the free energy are shown to be second order in the perturbation. Taking the perturbation to be the difference between a first-principles quantum-mechanical energy and a corresponding classical energy, this method can significantly reduce the computational effort required to calculate g( ) for quantum systems using the Wang-Landau approach.
Cosmological density perturbations in a conformal scalar field theory
NASA Astrophysics Data System (ADS)
Libanov, M. V.; Rubakov, V. A.
2012-02-01
We consider a scenario in which primordial scalar perturbations are generated when a complex conformal scalar field rolls down its negative quartic potential. Initially, these are perturbations of the phase of this field, which are then converted into adiabatic perturbations of the density. The existence of perturbations in the radial field direction, which have a red power spectrum, is a potentially dangerous feature of this scenario. But we show that in the linear order in the small parameter, the self-coupling, the infrared effects are completely nullified by an appropriate field redefinition. We evaluate the statistical anisotropy inherent in the model because of the presence of the long-wave perturbations of the radial field component. In the linear order in the self-coupling, the infrared effects do not affect the statistical anisotropy. They are manifested only at the quadratic order in the self-coupling, weakly (logarithmically) enhancing the corresponding contribution to the statistical anisotropy. The resulting statistical anisotropy is a combination of a large term, which decreases as the momentum increases, and a momentum-independent nonamplified term.
The correlation function for density perturbations in an expanding universe. I - Linear theory
NASA Technical Reports Server (NTRS)
Mcclelland, J.; Silk, J.
1977-01-01
The evolution of the two-point correlation function for adiabatic density perturbations in the early universe is studied. Analytical solutions are obtained for the evolution of linearized spherically symmetric adiabatic density perturbations and the two-point correlation function for these perturbations in the radiation-dominated portion of the early universe. The results are then extended to the regime after decoupling. It is found that: (1) adiabatic spherically symmetric perturbations comparable in scale with the maximum Jeans length would survive the radiation-dominated regime; (2) irregular fluctuations are smoothed out up to the scale of the maximum Jeans length in the radiation era, but regular fluctuations might survive on smaller scales; (3) in general, the only surviving structures for irregularly shaped adiabatic density perturbations of arbitrary but finite scale in the radiation regime are the size of or larger than the maximum Jeans length in that regime; (4) infinite plane waves with a wavelength smaller than the maximum Jeans length but larger than the critical dissipative damping scale could survive the radiation regime; and (5) black holes would also survive the radiation regime and might accrete sufficient mass after decoupling to nucleate the formation of galaxies.
Tent-induced perturbations on areal density of implosions at the National Ignition Facilitya)
NASA Astrophysics Data System (ADS)
Tommasini, R.; Field, J. E.; Hammel, B. A.; Landen, O. L.; Haan, S. W.; Aracne-Ruddle, C.; Benedetti, L. R.; Bradley, D. K.; Callahan, D. A.; Dewald, E. L.; Doeppner, T.; Edwards, M. J.; Hurricane, O. A.; Izumi, N.; Jones, O. A.; Ma, T.; Meezan, N. B.; Nagel, S. R.; Rygg, J. R.; Segraves, K. S.; Stadermann, M.; Strauser, R. J.; Town, R. P. J.
2015-05-01
Areal density non-uniformities seeded by time-dependent drive variations and target imperfections in Inertial Confinement Fusion (ICF) targets can grow in time as the capsule implodes, with growth rates that are amplified by instabilities. Here, we report on the first measurements of the perturbations on the density and areal density profiles induced by the membranes used to hold the capsule within the hohlraum in indirect drive ICF targets. The measurements are based on the reconstruction of the ablator density profiles from 2D radiographs obtained using pinhole imaging coupled to area backlighting, as close as 150 ps to peak compression. Our study shows a clear correlation between the modulations imposed on the areal density and measured neutron yield, and a 3× reduction in the areal density perturbations comparing a high-adiabat vs. low-adiabat pulse shape.
Tent-induced perturbations on areal density of implosions at the National Ignition Facility
Tommasini, R. Field, J. E.; Hammel, B. A.; Landen, O. L.; Haan, S. W.; Aracne-Ruddle, C.; Benedetti, L. R.; Bradley, D. K.; Callahan, D. A.; Dewald, E. L.; Doeppner, T.; Edwards, M. J.; Hurricane, O. A.; Izumi, N.; Jones, O. A.; Ma, T.; Meezan, N. B.; Nagel, S. R.; Rygg, J. R.; Stadermann, M.; and others
2015-05-15
Areal density non-uniformities seeded by time-dependent drive variations and target imperfections in Inertial Confinement Fusion (ICF) targets can grow in time as the capsule implodes, with growth rates that are amplified by instabilities. Here, we report on the first measurements of the perturbations on the density and areal density profiles induced by the membranes used to hold the capsule within the hohlraum in indirect drive ICF targets. The measurements are based on the reconstruction of the ablator density profiles from 2D radiographs obtained using pinhole imaging coupled to area backlighting, as close as 150 ps to peak compression. Our study shows a clear correlation between the modulations imposed on the areal density and measured neutron yield, and a 3× reduction in the areal density perturbations comparing a high-adiabat vs. low-adiabat pulse shape.
NASA Astrophysics Data System (ADS)
Wang, Peng; Fang, Jian-Hui; Wang, Xian-Ming
2009-03-01
We study a new symmetric perturbation, i.e. weakly Noether symmetric perturbation (WNSP). The criterion and definition of WNSP and Noether symmetric perturbation (NSP) are given. A theorem between WNSP and adiabatic invariants is established. It is concluded that WNSP is different from NSP, the sufficient condition when WNSP is NSP can be presented, and the former is broader. We apply our results to the planar Kepler problem.
Silk damping at a redshift of a billion: new limit on small-scale adiabatic perturbations.
Jeong, Donghui; Pradler, Josef; Chluba, Jens; Kamionkowski, Marc
2014-08-01
We study the dissipation of small-scale adiabatic perturbations at early times when the Universe is hotter than T≃0.5 keV. When the wavelength falls below the damping scale k(D)(-1), the acoustic modes diffuse and thermalize, causing entropy production. Before neutrino decoupling, k(D) is primarily set by the neutrino shear viscosity, and we study the effect of acoustic damping on the relic neutrino number, primordial nucleosynthesis, dark-matter freeze-out, and baryogenesis. This sets a new limit on the amplitude of primordial fluctuations of Δ(R)(2)<0.007 at 10(4) Mpc(-1)≲k≲10(5) Mpc(-1) and a model-dependent limit of Δ(R)(2)≲0.3 at k≲10(20-25) Mpc(-1). PMID:25148313
Thermospheric density perturbations in response to substorms
NASA Astrophysics Data System (ADS)
Clausen, L. B. N.; Milan, S. E.; Grocott, A.
2014-06-01
We use 5 years (2001-2005) of CHAMP (Challenging Minisatellite Payload) satellite data to study average spatial and temporal mass density perturbations caused by magnetospheric substorms in the thermosphere. Using statistics from 2306 substorms to construct superposed epoch time series, we find that the largest average increase in mass density of about 6% occurs about 90 min after substorm expansion phase onset about 3 h of magnetic local time east of the onset region. Averaged over the entire polar auroral region, a mass density increase of about 4% is observed. Using a simple model to estimate the mass density increase at the satellite altitude, we find that an energy deposition rate of 30 GW applied for half an hour predominantly at an altitude of 110 km is able to produce mass density enhancements of the same magnitude. When taking into account previous work that has shown that 80% of the total energy input is due to Joule heating, i.e., enhanced electric fields, whereas 20% is due to precipitation of mainly electrons, our results suggest that the average substorm deposits about 6 GW in the polar thermosphere through particle precipitation. Our result is in good agreement with simultaneous measurements of the NOAA Polar-orbiting Operational Environmental Satellite (POES) Hemispheric Power Index; however, it is about 1 order of magnitude less than reported previously.
Density perturbations in general modified gravitational theories
De Felice, Antonio; Tsujikawa, Shinji; Mukohyama, Shinji
2010-07-15
We derive the equations of linear cosmological perturbations for the general Lagrangian density f(R,{phi},X)/2+L{sub c}, where R is a Ricci scalar, {phi} is a scalar field, and X=-{partial_derivative}{sup {mu}{phi}{partial_derivative}}{sub {mu}{phi}/}2 is a field kinetic energy. We take into account a nonlinear self-interaction term L{sub c}={xi}({phi}) {open_square}{phi}({partial_derivative}{sup {mu}{phi}{partial_derivative}}{sub {mu}{phi}}) recently studied in the context of ''Galileon'' cosmology, which keeps the field equations at second order. Taking into account a scalar-field mass explicitly, the equations of matter density perturbations and gravitational potentials are obtained under a quasistatic approximation on subhorizon scales. We also derive conditions for the avoidance of ghosts and Laplacian instabilities associated with propagation speeds. Our analysis includes most of modified gravity models of dark energy proposed in literature; and thus it is convenient to test the viability of such models from both theoretical and observational points of view.
Planck constraints on neutrino isocurvature density perturbations
NASA Astrophysics Data System (ADS)
Di Valentino, Eleonora; Melchiorri, Alessandro
2014-10-01
The recent cosmic microwave background data from the Planck satellite experiment, when combined with Hubble Space Telescope determinations of the Hubble constant, are compatible with a larger, nonstandard number of relativistic degrees of freedom at recombination, parametrized by the neutrino effective number Neff . In the curvaton scenario, a larger value for Neff could arise from a nonzero neutrino chemical potential connected to residual neutrino isocurvature density (NID) perturbations after the decay of the curvaton field, the component of which is parametrized by the amplitude αNID . Here we present new constraints on Neff and αNID from an analysis of recent cosmological data. We find that the Planck+WMAP polarization data set does not show any indication of a NID component (severely constraining its amplitude), and that current indications for a nonstandard Neff are further relaxed.
Red density perturbations and inflationary gravitational waves
Pagano, Luca; Melchiorri, Alessandro; Cooray, Asantha; Kamionkowski, Marc E-mail: acooray@uci.edu E-mail: kamion@tapir.caltech.edu
2008-04-15
We study the implications of recent indications from the Wilkinson Microwave Anisotropy Probe (WMAP) and other cosmological data for a red spectrum of primordial density perturbations for the detection of inflationary gravitational waves (IGWs) with forthcoming cosmic microwave background experiments. We consider a variety of single-field power-law, chaotic, spontaneous symmetry-breaking and Coleman-Weinberg inflationary potentials which are expected to provide a sizable tensor component and quantify the expected tensor-to-scalar ratio given existing constraints from WMAP on the tensor-to-scalar ratio and the power spectrum tilt. We discuss the ability of the near-future Planck satellite to detect the IGW background in the framework of those models. We find that the proposed satellite missions of the Cosmic Vision and Inflation Probe programs will be able to detect IGWs from all the models we have surveyed at better than 5{sigma} confidence level. We also provide an example of what is required if the IGW background is to remain undetected even by these latter experiments.
Constraints on primordial density perturbations from induced gravitational waves
Assadullahi, Hooshyar; Wands, David
2010-01-15
We consider the stochastic background of gravitational waves produced during the radiation-dominated hot big bang as a constraint on the primordial density perturbation on comoving length scales much smaller than those directly probed by the cosmic microwave background or large-scale structure. We place weak upper bounds on the primordial density perturbation from current data. Future detectors such as BBO and DECIGO will place much stronger constraints on the primordial density perturbation on small scales.
Flexoelectricity from density-functional perturbation theory
NASA Astrophysics Data System (ADS)
Stengel, Massimiliano
2013-11-01
We derive the complete flexoelectric tensor, including electronic and lattice-mediated effects, of an arbitrary insulator in terms of the microscopic linear response of the crystal to atomic displacements. The basic ingredient, which can be readily calculated from first principles in the framework of density-functional perturbation theory, is the quantum-mechanical probability current response to a long-wavelength acoustic phonon. Its second-order Taylor expansion in the wave vector q around the Γ (q=0) point in the Brillouin zone naturally yields the flexoelectric tensor. At order one in q we recover Martin's theory of piezoelectricity [Martin, Phys. Rev. B 5, 1607 (1972)], thus providing an alternative derivation thereof. To put our derivations on firm theoretical grounds, we perform a thorough analysis of the nonanalytic behavior of the dynamical matrix and other response functions in a vicinity of Γ. Based on this analysis, we find that there is an ambiguity in the specification of the “zero macroscopic field” condition in the flexoelectric case; such arbitrariness can be related to an analytic band-structure term, in close analogy to the theory of deformation potentials. As a by-product, we derive a rigorous generalization of the Cochran-Cowley formula [Cochran and Cowley, J. Phys. Chem. Solids 23, 447 (1962)] to higher orders in q. This can be of great utility in building reliable atomistic models of electromechanical phenomena, as well as for improving the accuracy of the calculation of phonon dispersion curves. Finally, we discuss the physical interpretation of the various contributions to the flexoelectric response, either in the static or dynamic regime, and we relate our findings to earlier theoretical works on the subject.
Current Density and Plasma Displacement Near Perturbed Rational Surface
A.H. Boozer and N. Pomphrey
2010-10-10
The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement.
Current density and plasma displacement near perturbed rational surfaces
Boozer, Allen H.; Pomphrey, Neil
2010-11-15
The current density in the vicinity of a rational surface of a force-free magnetic field subjected to an ideal perturbation is shown to be the sum of both a smooth and a delta-function distribution, which give comparable currents. The maximum perturbation to the smooth current density is comparable to a typical equilibrium current density and the width of the layer in which the current flows is shown to be proportional to the perturbation amplitude. In the standard linearized theory, the plasma displacement has an unphysical jump across the rational surface, but the full theory gives a continuous displacement. A resolution of the paradox of a jump in the displacement is required for interpreting perturbed tokamak equilibria.
Scale invariant density perturbations from cyclic cosmology
NASA Astrophysics Data System (ADS)
Frampton, Paul Howard
2016-04-01
It is shown how quantum fluctuations of the radiation during the contraction era of a comes back empty (CBE) cyclic cosmology can provide density fluctuations which re-enter the horizon during the subsequent expansion era and at lowest order are scale invariant, in a Harrison-Zel’dovich-Peebles sense. It is necessary to be consistent with observations of large scale structure.
Internal wave pressure, velocity, and energy flux from density perturbations
NASA Astrophysics Data System (ADS)
Allshouse, Michael R.; Lee, Frank M.; Morrison, Philip J.; Swinney, Harry L.
2016-05-01
Determination of energy transport is crucial for understanding the energy budget and fluid circulation in density varying fluids such as the ocean and the atmosphere. However, it is rarely possible to determine the energy flux field J =p u , which requires simultaneous measurements of the pressure and velocity perturbation fields p and u , respectively. We present a method for obtaining the instantaneous J (x ,z ,t ) from density perturbations alone: A Green's function-based calculation yields p ; u is obtained by integrating the continuity equation and the incompressibility condition. We validate our method with results from Navier-Stokes simulations: The Green's function method is applied to the density perturbation field from the simulations and the result for J is found to agree typically to within 1% with J computed directly using p and u from the Navier-Stokes simulation. We also apply the Green's function method to density perturbation data from laboratory schlieren measurements of internal waves in a stratified fluid and the result for J agrees to within 6 % with results from Navier-Stokes simulations. Our method for determining the instantaneous velocity, pressure, and energy flux fields applies to any system described by a linear approximation of the density perturbation field, e.g., to small-amplitude lee waves and propagating vertical modes. The method can be applied using our matlab graphical user interface EnergyFlux.
Right-handed neutrinos as the source of density perturbations
Boubekeur, Lotfi; Creminelli, Paolo
2006-05-15
We study the possibility that cosmological density perturbations are generated by the inhomogeneous decay of right-handed neutrinos. This will occur if a scalar field whose fluctuations are created during inflation is coupled to the neutrino sector. Robust predictions of the model are a detectable level of non-Gaussianity and, if standard leptogenesis is the source of the baryon asymmetry, a baryon isocurvature perturbations at the level of the present experimental constraints.
Accurate calculation and modeling of the adiabatic connection in density functional theory
NASA Astrophysics Data System (ADS)
Teale, A. M.; Coriani, S.; Helgaker, T.
2010-04-01
Using a recently implemented technique for the calculation of the adiabatic connection (AC) of density functional theory (DFT) based on Lieb maximization with respect to the external potential, the AC is studied for atoms and molecules containing up to ten electrons: the helium isoelectronic series, the hydrogen molecule, the beryllium isoelectronic series, the neon atom, and the water molecule. The calculation of AC curves by Lieb maximization at various levels of electronic-structure theory is discussed. For each system, the AC curve is calculated using Hartree-Fock (HF) theory, second-order Møller-Plesset (MP2) theory, coupled-cluster singles-and-doubles (CCSD) theory, and coupled-cluster singles-doubles-perturbative-triples [CCSD(T)] theory, expanding the molecular orbitals and the effective external potential in large Gaussian basis sets. The HF AC curve includes a small correlation-energy contribution in the context of DFT, arising from orbital relaxation as the electron-electron interaction is switched on under the constraint that the wave function is always a single determinant. The MP2 and CCSD AC curves recover the bulk of the dynamical correlation energy and their shapes can be understood in terms of a simple energy model constructed from a consideration of the doubles-energy expression at different interaction strengths. Differentiation of this energy expression with respect to the interaction strength leads to a simple two-parameter doubles model (AC-D) for the AC integrand (and hence the correlation energy of DFT) as a function of the interaction strength. The structure of the triples-energy contribution is considered in a similar fashion, leading to a quadratic model for the triples correction to the AC curve (AC-T). From a consideration of the structure of a two-level configuration-interaction (CI) energy expression of the hydrogen molecule, a simple two-parameter CI model (AC-CI) is proposed to account for the effects of static correlation on the
Diestler, D J
2012-03-22
The Born-Oppenheimer (BO) description of electronically adiabatic molecular processes predicts a vanishing electronic flux density (j(e)),
NASA Astrophysics Data System (ADS)
Hollenberg, Sebastian; Päs, Heinrich
2012-01-01
The standard wave function approach for the treatment of neutrino oscillations fails in situations where quantum ensembles at a finite temperature with or without an interacting background plasma are encountered. As a first step to treat such phenomena in a novel way, we propose a unified approach to both adiabatic and nonadiabatic two-flavor oscillations in neutrino ensembles with finite temperature and generic (e.g., matter) potentials. Neglecting effects of ensemble decoherence for now, we study the evolution of a neutrino ensemble governed by the associated quantum kinetic equations, which apply to systems with finite temperature. The quantum kinetic equations are solved formally using the Magnus expansion and it is shown that a convenient choice of the quantum mechanical picture (e.g., the interaction picture) reveals suitable parameters to characterize the physics of the underlying system (e.g., an effective oscillation length). It is understood that this method also provides a promising starting point for the treatment of the more general case in which decoherence is taken into account.
Proton Radiography as an electromagnetic field and density perturbation diagnostic
Mackinnon, A; Patel, P; Town, R; Edwards, M; Phillips, T; Lerner, S; Price, D; Hicks, D; Key, M; Hatchett, S; Wilks, S; King, J; Snavely, R; Freeman, R; Boehlly, T; Koenig, M; Martinolli, E; Lepape, S; Benuzzi-Mounaix, A; Audebert, P; Gauthier, J; Borghesi, M; Romagnani, L; Toncian, T; Pretzler, G; Willi, O
2004-04-15
Laser driven proton beams have been used to diagnose transient fields and density perturbations in laser produced plasmas. Grid deflectometry techniques have been applied to proton radiography to obtain precise measurements of proton beam angles caused by electromagnetic fields in laser produced plasmas. Application of proton radiography to laser driven implosions has demonstrated that density conditions in compressed media can be diagnosed with MeV protons. This data has shown that proton radiography can provide unique insight into transient electromagnetic fields in super critical density plasmas and provide a density perturbation diagnostics in compressed matter . PACS numbers: 52.50.Jm, 52.40.Nk, 52.40.Mj, 52.70.Kz
Wilken, F.; Bauer, D.
2006-11-17
The ionization of a one-dimensional model helium atom in short laser pulses using time-dependent density-functional theory is investigated. We calculate ionization probabilities as a function of laser intensity by approximating the correlation function of the system adiabatically with an explicit dependence on the fractional number of bound electrons. For the correlation potential we take the derivative discontinuity at integer numbers of bound electrons explicitly into account. This approach reproduces ionization probabilities from the solution of the time-dependent Schroedinger equation, in particular, the so-called knee due to nonsequential ionization.
Density perturbations from modulated decay of the curvaton
Langlois, David; Takahashi, Tomo E-mail: tomot@cc.saga-u.ac.jp
2013-04-01
We study density perturbations, including their non-Gaussianity, in models in which the decay rate of the curvaton depends on another light scalar field, denoted the modulaton. Although this model shares some similarities with the standard curvaton and modulated reheating scenarios, it exhibits interesting predictions for f{sub NL} and g{sub NL} that are specific to this model. We also discuss the possibility that both modulaton and curvaton fluctuations contribute to the final curvature perturbation. Our results naturally include the standard curvaton and modulated reheating scenarios as specific limits and are thus useful to present a unified treatment of these models and their variants.
Statistics of primordial density perturbations from discrete seed masses
NASA Technical Reports Server (NTRS)
Scherrer, Robert J.; Bertschinger, Edmund
1991-01-01
The statistics of density perturbations for general distributions of seed masses with arbitrary matter accretion is examined. Formal expressions for the power spectrum, the N-point correlation functions, and the density distribution function are derived. These results are applied to the case of uncorrelated seed masses, and power spectra are derived for accretion of both hot and cold dark matter plus baryons. The reduced moments (cumulants) of the density distribution are computed and used to obtain a series expansion for the density distribution function. Analytic results are obtained for the density distribution function in the case of a distribution of seed masses with a spherical top-hat accretion pattern. More generally, the formalism makes it possible to give a complete characterization of the statistical properties of any random field generated from a discrete linear superposition of kernels. In particular, the results can be applied to density fields derived by smoothing a discrete set of points with a window function.
Plasma actuator electron density measurement using microwave perturbation method
Mirhosseini, Farid; Colpitts, Bruce
2014-07-21
A cylindrical dielectric barrier discharge plasma under five different pressures is generated in an evacuated glass tube. This plasma volume is located at the center of a rectangular copper waveguide cavity, where the electric field is maximum for the first mode and the magnetic field is very close to zero. The microwave perturbation method is used to measure electron density and plasma frequency for these five pressures. Simulations by a commercial microwave simulator are comparable to the experimental results.
Adiabatic approximation in time-dependent reduced-density-matrix functional theory
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.
Quantum Lattice Fluctuations in the Charge Density Wave State beyond the Adiabatic Approximation
NASA Astrophysics Data System (ADS)
Shida, Keisuke; Watanabe, Yuko; Gomi, Hiroki; Takahashi, Akira; Tomita, Norikazu
2015-12-01
We have developed a tractable numerical method in which large-amplitude quantum lattice fluctuations can be described beyond the adiabatic approximation using the coherent state representation of phonons. A many-body wave function is constructed by the superposition of direct products of non-orthogonal Slater determinants for electrons and coherent states of phonons. Both orbitals in all the Slater determinants and the amplitudes of all the coherent states are simultaneously optimized. We apply the method to the one-dimensional Su-Schrieffer-Heeger model with the on-site and nearest-neighbor-site Coulomb interactions. It is shown the lattice fluctuations in doped charge density wave (CDW) systems are described by the translational and vibrational motion of lattice solitons. Such lattice solitons induce bond alternation in the doped CDW system while the lattice becomes equidistant in the half-filled CDW system.
Simulations of Electron Density Perturbations in a Gas Discharge
NASA Astrophysics Data System (ADS)
Caplinger, James; Sotnikov, Vladimir; Main, Daniel
2015-11-01
Beginning with the idealized case of the Pierce diode, a series of particle-in-cell (PIC) simulations are conducted in order to characterize density perturbations in a laboratory gas discharge. This work is conducted to support future experimental investigations into electromagnetic scattering off of electron density perturbations excited by plasma flows. As a first step, 2D PIC simulations were conducted for the Pierce diode case, which is a simple model that exploits instabilities of a monochromatic electron beam between two grounded electrodes. These results were compared to the standard analytical solution. Departing from this idealized case we will include in the simulations electron-neutral collisions, particle creation from ionization, as well as an electric field generated by biased electrodes. A parameter study of electric field strength and collision frequency will be performed for values approaching the Pierce diode as well as extending to cases of expected laboratory parameters. If we can extract physical density spectra from simulations with parameters approaching experimental values, it may be possible to analyze electromagnetic scattering characteristics.
Non-scale-invariant density perturbations from chaotic extended inflation
Mollerach, S. ); Matarrese, S. )
1992-03-15
Chaotic inflation is analyzed in the frame of scalar-tensor theories of gravity. Fluctuations in the energy density arise from quantum fluctuations of the Brans-Dicke field and of the inflaton field. The spectrum of perturbations is studied for a class of models: it is non-scale-invariant and, for certain values of the parameters, it has a peak. If the peak appears at astrophysically interesting scales it may help to reconcile the cold-dark-matter scenario for structure formation with large-scale observations.
Non scale-invariant density perturbations from chaotic extended inflation
NASA Technical Reports Server (NTRS)
Mollerach, Silvia; Matarrese, Sabino
1991-01-01
Chaotic inflation is analyzed in the frame of scalar-tensor theories of gravity. Fluctuations in the energy density arise from quantum fluctuations of the Brans-Dicke field and of the inflation field. The spectrum of perturbations is studied for a class of models: it is non scale-invarient and, for certain values of the parameters, it has a peak. If the peak appears at astrophysically interesting scales, it may help to reconcile the Cold Dark Matter scenario for structure formation with large scale observations.
Habershon, Scott
2013-09-14
We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.
Density perturbations and the cosmological constant from inflationary landscapes
Feldstein, Brian; Hall, Lawrence J.; Watari, Taizan
2005-12-15
An anthropic understanding of the cosmological constant requires that the vacuum energy at late time scans from one patch of the universe to another. If the vacuum energy during inflation also scans, the various patches of the universe acquire exponentially differing volumes. In a generic landscape with slow-roll inflation, we find that this gives a steeply varying probability distribution for the normalization of the primordial density perturbations, resulting in an exponentially small fraction of observers measuring the Cosmic Background Explorer value of 10{sup -5}. Inflationary landscapes should avoid this ''{sigma} problem,'' and we explore features that can allow them to do that. One possibility is that, prior to slow-roll inflation, the probability distribution for vacua is extremely sharply peaked, selecting essentially a single anthropically allowed vacuum. Such a selection could occur in theories of eternal inflation. A second possibility is that the inflationary landscape has a special property: although scanning leads to patches with volumes that differ exponentially, the value of the density perturbation does not vary under this scanning. This second case is preferred over the first, partly because a flat inflaton potential can result from anthropic selection, and partly because the anthropic selection of a small cosmological constant is more successful.
Precise effective masses from density functional perturbation theory
NASA Astrophysics Data System (ADS)
Laflamme Janssen, J.; Gillet, Y.; Poncé, S.; Martin, A.; Torrent, M.; Gonze, X.
2016-05-01
The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto)transport properties, or band extrema characteristics yielding carrier densities and density of states. Currently, these masses are usually calculated using finite-difference estimation of density functional theory (DFT) electronic band curvatures. However, finite differences require an additional convergence study and are prone to numerical noise. Moreover, the concept of effective mass breaks down at degenerate band extrema. We assess the former limitation by developing a method that allows to obtain the Hessian of DFT bands directly, using density functional perturbation theory. Then, we solve the latter issue by adapting the concept of "transport equivalent effective mass" to the k .p ̂ framework. The numerical noise inherent to finite-difference methods is thus eliminated, along with the associated convergence study. The resulting method is therefore more general, more robust, and simpler to use, which makes it especially appropriate for high-throughput computing. After validating the developed techniques, we apply them to the study of silicon, graphane, and arsenic. The formalism is implemented into the abinit software and supports the norm-conserving pseudopotential approach, the projector augmented-wave method, and the inclusion of spin-orbit coupling. The derived expressions also apply to the ultrasoft pseudopotential method.
Borovsky, Joseph E; Denton, Michael H
2008-01-01
Using temperature and number-density measurements of the energetic-electron population from multiple spacecraft in geosynchronous orbit, the specific entropy S = T/n{sup 2/3} of the outer electron radiation belt is calculated. Then 955,527 half-hour-long data intervals are statistically analyzed. Local-time and solar-cycle variations in S are examined. The median value of the specific entropy (2.8 x 10{sup 7} eVcm{sup 2}) is much larger than the specific entropy of other particle populations in and around the magnetosphere. The evolution of the specific entropy through high-speed-stream-driven geomagnetic storms and through magnetic-cloud-driven geomagnetic storms is studied using superposed-epoch analysis. For high-speed-stream-driven storms, systematic variations in the entropy associated with electron loss and gain and with radiation-belt heating are observed in the various storm phases. For magnetic-cloud-driven storms, multiple trigger choices for the data superpositions reveal the effects of interplanetary shock arrival, sheath driving, cloud driving, and recovery phase. The specific entropy S = T/n{sup 2/3} is algebraically expressed in terms of the first and second adiabatic invariants of the electrons: this allows a relativistic expression for S in terms of T and n to be derived. For the outer electron radiation belt at geosynchronous orbit, the relativistic corrections to the specific entropy expression are -15%.
Bailey, Nicholas P.; Bøhling, Lasse; Veldhorst, Arno A.; Schrøder, Thomas B.; Dyre, Jeppe C.
2013-11-14
We derive exact results for the rate of change of thermodynamic quantities, in particular, the configurational specific heat at constant volume, C{sub V}, along configurational adiabats (curves of constant excess entropy S{sub ex}). Such curves are designated isomorphs for so-called Roskilde liquids, in view of the invariance of various structural and dynamical quantities along them. The slope of the isomorphs in a double logarithmic representation of the density-temperature phase diagram, γ, can be interpreted as one third of an effective inverse power-law potential exponent. We show that in liquids where γ increases (decreases) with density, the contours of C{sub V} have smaller (larger) slope than configurational adiabats. We clarify also the connection between γ and the pair potential. A fluctuation formula for the slope of the C{sub V}-contours is derived. The theoretical results are supported with data from computer simulations of two systems, the Lennard-Jones fluid, and the Girifalco fluid. The sign of dγ/dρ is thus a third key parameter in characterizing Roskilde liquids, after γ and the virial-potential energy correlation coefficient R. To go beyond isomorph theory we compare invariance of a dynamical quantity, the self-diffusion coefficient, along adiabats and C{sub V}-contours, finding it more invariant along adiabats.
Ionospheric density perturbations recorded by DEMETER above intense thunderstorms
NASA Astrophysics Data System (ADS)
Parrot, M.; Sauvaud, J.; Soula, S.; Pincon, J.; Van Der Velde, O. A.
2013-12-01
DEMETER was a 3-axis stabilized Earth-pointing spacecraft launched on June 29, 2004 into a low altitude (710 km) polar and circular orbit that was subsequently lowered to 650 km till the end of the mission in December 2010. DEMETER measured electromagnetic waves all around the Earth except in the auroral zones (invariant latitude > 65°). The frequency range for the electric field was from DC up to 3.5 MHz, and for the magnetic field from a few Hz up to 20 kHz. At its altitude, the phenomena observed on the E-field and B-field spectrograms recorded during night time by the satellite in the VLF range are mainly dominated by whistlers. In a first step, the more intense whistlers have been searched. They correspond to the most powerful lightning strokes occurring below DEMETER. Then, it is shown that this intense lightning activity is able to perturb the electron and ion densities at the satellite altitude (up to 133 %) during night time. These intense lightning strokes are generally associated with TLEs (Transient Luminous Events), and one event with many sprites recorded on November 17, 2006 above Europe is reported. Checking the particle precipitation, it is shown that this density enhancement in the high ionosphere can be related to the energetic particle precipitation induced by the strong whistlers emitted during a long duration thunderstorm activity at the same location.
Ionospheric density perturbations recorded by DEMETER above intense thunderstorms
NASA Astrophysics Data System (ADS)
Parrot, M.; Sauvaud, J. A.; Soula, S.; PinçOn, J. L.; Velde, O.
2013-08-01
(Detection of Electromagnetic Emissions Transmitted From Earthquake Regions) was a three-axis stabilized Earth-pointing spacecraft launched on 29 June 2004 into a low-altitude (710 km) polar and circular orbit that was subsequently lowered to 650 km until the end of the mission in December 2010. DEMETER measured electromagnetic waves all around the Earth, except in the auroral zones (invariant latitude >65°). The frequency range for the electric field was from DC up to 3.5 MHz, and for the magnetic field, it was from a few hertz up to 20 kHz. At its altitude, the phenomena observed on the E field and B field spectrograms recorded during nighttime by the satellite in the very low frequency range are mainly dominated by whistlers. In a first step, the more intense whistlers have been searched. They correspond to the most powerful lightning strokes occurring below DEMETER. Then, it is shown that this intense lightning activity is able to perturb the electron and ion densities at the satellite altitude (up to 133%) during nighttime. These intense lightning strokes are generally associated with transient luminous events, and one event with many sprites recorded on 17 November 2006 above Europe is reported. Examining the charged particle precipitation, it is shown that this density enhancement in the high ionosphere can be related to the energetic particle precipitation induced by the strong whistlers emitted during a long-duration thunderstorm activity at the same location.
Perturbation method to calculate the density of states
NASA Astrophysics Data System (ADS)
Persson, Rasmus A. X.
2012-12-01
Monte Carlo switching moves (“perturbations”) are defined between two or more classical Hamiltonians sharing a common ground-state energy. The ratio of the density of states (DOS) of one system to that of another is related to the ensemble averages of the microcanonical acceptance probabilities of switching between these Hamiltonians, analogously to the case of Bennett's acceptance ratio method for the canonical ensemble [C. H. Bennett, J. Comput. Phys.JCTPAH0021-999110.1016/0021-9991(76)90078-4 22, 245 (1976)]. Thus, if the DOS of one of the systems is known, one obtains those of the others and, hence, the partition functions. As a simple test case, the vapor pressure of an anharmonic Einstein crystal is computed, using the harmonic Einstein crystal as the reference system in one dimension; an auxiliary calculation is also performed in three dimensions. As a further example of the algorithm, the energy dependence of the ratio of the DOS of the square-well and hard-sphere tetradecamers is determined, from which the temperature dependence of the constant-volume heat capacity of the square-well system is calculated and compared with canonical Metropolis Monte Carlo estimates. For these cases and reference systems, the perturbation calculations exhibit a higher degree of convergence per Monte Carlo cycle than Wang-Landau (WL) sampling, although for the one-dimensional oscillator the WL sampling is ultimately more efficient for long runs. Last, we calculate the vapor pressure of liquid gold using an empirical Sutton-Chen many-body potential and the ideal gas as the reference state. Although this proves the general applicability of the method, by its inherent perturbation approach the algorithm is suitable for those particular cases where the properties of a related system are well known.
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
Constraining turbulence and conduction in the hot ICM through density perturbations
NASA Astrophysics Data System (ADS)
Gaspari, M.; Churazov, E.
2013-11-01
Turbulence and conduction can dramatically affect the evolution of baryons in the universe; current constraints are however rare and uncertain. Using 3D high-resolution hydrodynamic simulations, tracking both electrons and ions, we study the effects of turbulence and conduction in the hot intracluster medium. We show how the power spectrum of the gas density perturbations (δ = δρ/ρ) can accurately constrain both processes. The characteristic amplitude of density perturbations is linearly related to the strength of turbulence, i.e. the 3D Mach number, as A(k)δ,max = c M, where c ≃ 0.25 for injection scale of 500 kpc. The slope of Aδ(k) in turn reflects the level of diffusion, dominated by conduction. In a non-conductive medium, subsonic stirring motions advect density with a similar nearly Kolmogorov cascade, Eδ(k) ∝ k- 5/3. Increasing conduction (parametrized via the magnetic suppression f = 10-3 → 1) progressively steepens the spectrum towards the Burgers-like regime, Eδ(k) ∝ k-2. The slope is only weakly dependent on M. The turbulent Prandtl number defines the dynamic similarity of the flow; at scales where Pt ≡ tcond/tturb < 100, the power spectrum develops a significant decay, i.e. conduction stifles turbulent regeneration. The transition is gentle for highly suppressed conduction, f ≤ 10-3, while sharp in the opposite regime. For strong conductivity (f ≥ 0.1), Pt ~ 100 occurs on spatial scales larger than the injection scale, globally damping density perturbations by a factor of 2-4, from large to small scales. The velocity spectrum is instead not much affected by conduction. The f ≥ 0.1 regime should also affect the appearance of X-ray images, in which Kelvin-Helmholtz and Rayleigh-Taylor rolls and filaments are washed out. In a stratified system, perturbations are characterized by a mixture of modes: weak/strong turbulence induces higher isobaric/adiabatic fluctuations, while conduction forces both modes towards the intermediate
NASA Astrophysics Data System (ADS)
Haruyama, Jun; Suzuki, Takahiro; Hu, Chunping; Watanabe, Kazuyuki
2012-01-01
We present a simple and computationally efficient method to calculate excited-state nuclear forces on adiabatic potential-energy surfaces (APES) from linear-response time-dependent density-functional theory within a real-space framework. The Casida ansatz, which has been validated for computing first-order nonadiabatic couplings in previous studies, was applied to the calculation of the excited-state forces. Our method is validated by the consistency of results in the lower excited states, which reproduce well those obtained by the numerical derivative of each APES. We emphasize the usefulness of this technique by demonstrating the excited-state molecular-dynamics simulation.
Density Perturbations in Nonisentropic Models of Inflation with Viscous Effects
NASA Astrophysics Data System (ADS)
Ramos, Rudnei O.; Andrade, Silvio D. C.
2015-01-01
It is shown how viscosities affect the dynamics of the perturbations at linear order for a two-fluid system composed by the inflaton and a radiation bath. These two-fluid systems are typical of nonisentropic models, like warm inflation. It is shown that viscosities effects must be considered to proper control the backreaction of the radiation fluctuations on the inflaton fluctuations and to give a proper value for the amplitude of the power spectrum.
Proton radiography as an electromagnetic field and density perturbation diagnostic (invited)
Mackinnon, A.J.; Patel, P.K.; Town, R.P.; Edwards, M.J.; Phillips, T.; Lerner, S.C.; Price, D.W.; Hicks, D.; Key, M.H.; Hatchett, S.; Wilks, S.C.; Borghesi, M.; Romagnani, L.; Kar, S.; Toncian, T.; Pretzler, G.; Willi, O.; Koenig, M.; Martinolli, E.; Lepape, S.
2004-10-01
Laser driven proton beams have been used to diagnose transient fields and density perturbations in laser produced plasmas. Grid deflectometry techniques have been applied to proton radiography to obtain precise measurements of proton beam angles caused by electromagnetic fields in laser produced plasmas. Application of proton radiography to laser driven implosions has demonstrated that density conditions in compressed media can be diagnosed with million electron volt protons. This data has shown that proton radiography can provide unique insight into transient electromagnetic fields in super critical density plasmas and provide a density perturbation diagnostics in compressed matter.
Entropy density of an adiabatic relativistic Bose-Einstein condensate star
Khaidir, Ahmad Firdaus; Kassim, Hasan Abu; Yusof, Norhasliza
2015-04-24
Inspired by recent works, we investigate how the thermodynamics parameters (entropy, temperature, number density, energy density, etc) of Bose-Einstein Condensate star scale with the structure of the star. Below the critical temperature in which the condensation starts to occur, we study how the entropy behaves with varying temperature till it reaches its own stability against gravitational collapse and singularity. Compared to photon gases (pressure is described by radiation) where the chemical potential, μ is zero, entropy of photon gases obeys the Stefan-Boltzmann Law for a small values of T while forming a spiral structure for a large values of T due to general relativity. The entropy density of Bose-Einstein Condensate is obtained following the similar sequence but limited under critical temperature condition. We adopt the scalar field equation of state in Thomas-Fermi limit to study the characteristics of relativistic Bose-Einstein condensate under varying temperature and entropy. Finally, we obtain the entropy density proportional to (σT{sup 3}-3T) which obeys the Stefan-Boltzmann Law in ultra-relativistic condition.
The correlation function for density perturbations in an expanding universe. II - Nonlinear theory
NASA Technical Reports Server (NTRS)
Mcclelland, J.; Silk, J.
1977-01-01
A formalism is developed to find the two-point and higher-order correlation functions for a given distribution of sizes and shapes of perturbations which are randomly placed in three-dimensional space. The perturbations are described by two parameters such as central density and size, and the two-point correlation function is explicitly related to the luminosity function of groups and clusters of galaxies
Simple preconditioning for time-dependent density functional perturbation theory.
Lehtovaara, Lauri; Marques, Miguel A L
2011-07-01
By far, the most common use of time-dependent density functional theory is in the linear-reponse regime, where it provides information about electronic excitations. Ideally, the linear-response equations should be solved by a method that avoids the use of the unoccupied Kohn-Sham states--such as the Sternheimer method--as this reduces the complexity and increases the precision of the calculation. However, the Sternheimer equation becomes ill-conditioned near and indefinite above the first resonant frequency, seriously hindering the use of efficient iterative solution methods. To overcome this serious limitation, and to improve the general convergence properties of the iterative techniques, we propose a simple preconditioning strategy. In our method, the Sternheimer equation is solved directly as a linear equation using an iterative Krylov subspace method, i.e., no self-consistent cycle is required. Furthermore, the preconditioner uses the information of just a few unoccupied states and requires simple and minimal modifications to existing implementations. In this way, convergence can be reached faster and in a considerably wider frequency range than the traditional approach. PMID:21744884
Kohn-Sham density-functional theory and renormalization of many-body perturbation expansions
NASA Astrophysics Data System (ADS)
Valiev, Marat
1998-03-01
Numerous practical applications provide strong evidence that despite its simplicity and crude approximations, density-functional theory leads to a rather accurate description of ground state properties of various condensed matter systems. Although well documented numerically, to our knowledge a theoretical explanation of the accuracy of density-functional theory has not been given. This issue is clarified in this work by demonstrating that density-functional theory represents a particular renormalization procedure of a many-body perturbation expansion. In other words, it is shown that density-functional theory is a many-body perturbation theory whose convergence properties have been optimized. The realization of this fact brings new meaning into density-functional theory and explains the success of density-functional based calculations. For more information go to http://alchemy.ucsd.edu/marat/ .
Quantum-to-classical transition for ekpyrotic perturbations
NASA Astrophysics Data System (ADS)
Battarra, Lorenzo; Lehners, Jean-Luc
2014-03-01
We examine the processes of quantum squeezing and decoherence of density perturbations produced during a slowly contracting ekpyrotic phase in which entropic perturbations are converted to curvature perturbations before the bounce to an expanding phase. During the generation phase, the entropic fluctuations evolve into a highly squeezed quantum state, analogous to the evolution of inflationary perturbations. Subsequently, during the conversion phase, quantum coherence is lost very efficiently due to the interactions of entropy and adiabatic modes. Moreover, while decoherence occurs, the adiabatic curvature perturbations inherit their semiclassicality from the entropic perturbations. Our results confirm that, just as for inflation, an ekpyrotic phase can generate nearly scale-invariant curvature perturbations which may be treated as a statistical ensemble of classical density perturbations, in agreement with observations of the cosmic background radiation.
Spectroscopic and thermal properties of minerals from density-functional perturbation theory
NASA Astrophysics Data System (ADS)
Refson, K.
2003-12-01
Ab-initio calculations based on density-functional theory have provento give a highly accurate description of structural and elastic properties of minerals under pressure. To evaluate spectroscopic, dielectric and thermal properties it is necessary to compute the second derivatives of the energy with respect to a displacement or electric field perturbation. While the Hellman-Feynmann theorem makes the computation of forces (first derivatives of the energy) straightforward, second derivatives depend on the linear response of the orbitals and density to the perturbation. I will sketch the variational formulation of density-function perturbation theory, and it's implementation in the CASTEP plane-wave code. The capabilities will be illustrated with calculation of the full phonon dispersion spectra and dielectric properties of a-quartz, ZrO2 and NaHF2.
NASA Astrophysics Data System (ADS)
Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.
2016-05-01
Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms
On the reach of perturbative methods for dark matter density fields
NASA Astrophysics Data System (ADS)
Baldauf, Tobias; Schaan, Emmanuel; Zaldarriaga, Matias
2016-03-01
We study the mapping from Lagrangian to Eulerian space in the context of the Effective Field Theory (EFT) of Large Scale Structure. We compute Lagrangian displacements with Lagrangian Perturbation Theory (LPT) and perform the full non-perturbative transformation from displacement to density. When expanded up to a given order, this transformation reproduces the standard Eulerian Perturbation Theory (SPT) at the same order. However, the full transformation from displacement to density also includes higher order terms. These terms explicitly resum long wavelength motions, thus making the resulting density field better correlated with the true non-linear density field. As a result, the regime of validity of this approach is expected to extend that of the Eulerian EFT, and match that of the IR-resummed Eulerian EFT. This approach thus effectively enables a test of the IR-resummed EFT at the field level. We estimate the size of stochastic, non-perturbative contributions to the matter density power spectrum. We find that in our highest order calculation, at redshift z = 0 the power spectrum of the density field is reproduced with an accuracy of 1% (10%) up to k = 0.25 hMpc-1 (k = 0.46 hMpc-1). We believe that the dominant source of the remaining error is the stochastic contribution. Unfortunately, on these scales the stochastic term does not yet scale as k4 as it does in the very low k regime. Thus, modeling this contribution might be challenging.
Adiabatic fluctuations from cosmic strings in a contracting universe
Brandenberger, Robert H.; Takahashi, Tomo; Yamaguchi, Masahide E-mail: tomot@cc.saga-u.ac.jp
2009-07-01
We show that adiabatic, super-Hubble, and almost scale invariant density fluctuations are produced by cosmic strings in a contracting universe. An essential point is that isocurvature perturbations produced by topological defects such as cosmic strings on super-Hubble scales lead to a source term which seeds the growth of curvature fluctuations on these scales. Once the symmetry has been restored at high temperatures, the isocurvature seeds disappear, and the fluctuations evolve as adiabatic ones in the expanding phase. Thus, cosmic strings may be resurrected as a mechanism for generating the primordial density fluctuations observed today.
Non-linear isocurvature perturbations and non-Gaussianities
Langlois, David; Vernizzi, Filippo; Wands, David E-mail: filippo.vernizzi@cea.fr
2008-12-15
We study non-linear primordial adiabatic and isocurvature perturbations and their non-Gaussianity. After giving a general formulation in the context of an extended {delta}N formalism, we analyse in detail two illustrative examples. The first is a mixed curvaton-inflaton scenario in which fluctuations of both the inflaton and a curvaton (a light isocurvature field during inflation) contribute to the primordial density perturbation. The second example is that of double inflation involving two decoupled massive scalar fields during inflation. In the mixed curvaton-inflaton scenario we find that the bispectrum of primordial isocurvature perturbations may be large and comparable to the bispectrum of adiabatic curvature perturbations.
NASA Astrophysics Data System (ADS)
Metzler, Nathan; Velikovich, Alexander L.; Gardner, John H.
1999-08-01
The effects of tailoring the density profile in a laser target in order to decrease imprinting of mass perturbations due to the long-wavelength modes are investigated analytically and numerically. Inverting the acceleration of the ablation front during the shock transit time could reduce the early-time mass perturbation amplitudes developed in the target after the shock transit. This principle was first suggested for mitigating the Rayleigh-Taylor (RT) instability of imploding Z-pinches [Velikovich et al., Phys. Rev. Lett. 77, 853 (1996); Phys. Plasmas 5, 3377 (1998)]. As the shock wave slows down propagating into higher density layers, the effective gravity near the ablation front has the same direction as the density gradient. This makes the mass perturbations near it oscillate at a higher frequency and at a lower amplitude than they normally would due to the "rocket effect" caused by mass ablation [Sanz, Phys. Rev. Lett. 73, 2700 (1994); Piriz et al., Phys. Plasmas 4, 1117 (1997)]. So, tailoring density profiles instead of using flat densities is demonstrated to reduce the "seed" mass perturbation amplitude at the onset of the exponential RT growth.
NASA Astrophysics Data System (ADS)
Martin, Alexandre; Torrent, Marc; Caracas, Razvan
2015-03-01
A formulation of the response of a system to strain and electric field perturbations in the pseudopotential-based density functional perturbation theory (DFPT) has been proposed by D.R Hamman and co-workers. It uses an elegant formalism based on the expression of DFT total energy in reduced coordinates, the key quantity being the metric tensor and its first and second derivatives. We propose to extend this formulation to the Projector Augmented-Wave approach (PAW). In this context, we express the full elastic tensor including the clamped-atom tensor, the atomic-relaxation contributions (internal stresses) and the response to electric field change (piezoelectric tensor and effective charges). With this we are able to compute the elastic tensor for all materials (metals and insulators) within a fully analytical formulation. The comparison with finite differences calculations on simple systems shows an excellent agreement. This formalism has been implemented in the plane-wave based DFT ABINIT code. We apply it to the computation of elastic properties and seismic-wave velocities of iron with impurity elements. By analogy with the materials contained in meteorites, tested impurities are light elements (H, O, C, S, Si).
A non-perturbative approach to freezing of superfuid 4He in density functional theory
NASA Astrophysics Data System (ADS)
Minoguchi, T.; Galli, De; Rossi, M.; Yoshimori, A.
2012-12-01
Freezing of various classical liquids is successfully described by density functional theory (DFT). On the other hand, so far no report has been published that DFT describes the freezing of superfuid 4He correctly. In fact, DFT gives too stable solid phase and the superfuid phase does not exist at finite positive pressures within a second order perturbation. In this paper we try a non-perturbative version of DFT, that is modified weighted density approximation (MWDA) to go beyond second order perturbation for the freezing of superfuid 4He. Via an exact zero temperature quantum Monte-Carlo (QMC) method we have computed the equation of state and the compressibility of superfuid 4He. By utilizing a recently introduced analytic continuation method (the GIFT method), we have obtained also density response functions at different densities from QMC imaginary time correlation functions. Contrary to second order perturbation, by employing these QMC data as DFT input we find a too stable superfuid phase, preventing freezing around the experimentally observed freezing pressure. We find the same pathological behavior by using another model energy functional of superfuid 4He (Orsay-Trento model). We conclude that the straightforward MWDA calculation gives such a poor result when liquid-gas transition is present.
Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam
2014-08-14
Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G0W0 and G0W0+BSE approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G0W0+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G0W0 quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies. PMID:25134572
Weck, Philippe F.; Kim, Eunja
2015-06-11
The structure, lattice dynamics and thermodynamic properties of bulk technetium were investigated within the framework of density functional theory. The phonon density of states spectrum computed with density functional perturbation theory closely matches inelastic coherent neutron scattering measurements. The thermal properties of technetium were derived from phonon frequencies calculated within the quasi-harmonic approximation (QHA), which introduces a volume dependence of phonon frequencies as a part of the anharmonic effect. As a result, the predicted thermal expansion and isobaric heat capacity of technetium are in excellent agreement with available experimental data for temperatures up to ~1600 K.
Lehners, Jean-Luc; Steinhardt, Paul J.
2008-03-15
We analyze the non-Gaussian density perturbations generated in ekpyrotic/cyclic models based on heterotic M theory. In this picture, two scalar fields produce nearly scale-invariant entropic perturbations during an ekpyrotic phase that are converted into curvature modes after the ekpyrotic phase is complete and just before the big bang. Both intrinsic nonlinearity in the entropy perturbation and the conversion process contribute to non-Gaussianity. The range of the non-Gaussianity parameter f{sub NL} depends on how gradual the conversion process is and the steepness of the scalar field potential during the ekpyrotic phase. Although a wider range is possible, in principle, natural values of the ekpyrotic parameters combined with a gradual conversion process lead to values of -50 < or approx. f{sub NL} < or approx. +200, typically much greater than slow-roll inflation but within the current observational bounds.
NASA Technical Reports Server (NTRS)
Findlay, J. T.; Kelly, G. M.; Troutman, P. A.
1984-01-01
A perturbation model to the Marshall Space Flight Center (MSFC) Global Reference Atmosphere Model (GRAM) was developed for use in the Aeroassist Orbital Transfer Vehicle (AOTV) trajectory and analysis. The model reflects NASA Space Shuttle experience over the first twelve entry flights. The GRAM was selected over the Air Force 1978 Reference Model because of its more general formulation and wider use throughout NASA. The add-on model, a simple scaling with altitude to reflect density structure encountered by the Shuttle Orbiter was selected principally to simplify implementation. Perturbations, by season, can be utilized to minimize the number of required simulations, however, exact Shuttle flight history can be exercised using the same model if desired. Such a perturbation model, though not meteorologically motivated, enables inclusion of High Resolution Accelerometer Package (HiRAP) results in the thermosphere. Provision is made to incorporate differing perturbations during the AOTV entry and exit phases of the aero-asist maneuver to account for trajectory displacement (geographic) along the ground track.
Collapse of small-scale density perturbations during preheating in single field inflation
Jedamzik, Karsten; Lemoine, Martin; Martin, Jérôme E-mail: lemoine@iap.fr
2010-09-01
After cosmic inflation and before the transition to radiation domination, the cosmic energy density may have been dominated during an extended period by an oscillating massive scalar condensate. We show that during this period, sub-Hubble scale perturbations are subject to a metric preheating instability in the narrow resonance regime. We analyze in detail both, quadratic and quartic potentials. The instability leads to the growth of density perturbations which in many cases become non-linear already before the beginning of a radiation dominated Universe. This is particularly the case when requiring a phenomenologically preferred low reheat temperature. These early structures may lead to the emission of gravitational waves and the production of primordial black holes.
Nesseris, Savvas
2009-02-15
We consider theories with an arbitrary coupling between matter and gravity and obtain the perturbation equation of matter on subhorizon scales. Also, we derive the effective gravitational constant G{sub eff} and two parameters {sigma} and {eta}, which along with the perturbation equation of the matter density are useful to constrain the theory from growth factor and weak lensing observations. Finally, we use a completely solvable toy model which exhibits nontrivial phenomenology to investigate specific features of the theory. We obtain the analytic solution of the modified Friedmann equation for the scale factor a in terms of time t and use the age of the oldest star clusters and the primordial nucleosynthesis bounds in order to constrain the parameters of our toy model.
NASA Astrophysics Data System (ADS)
Wehrenberg, Christopher; Prisbrey, Shon T.; Park, Hye-Sook; Benedetti, L. Robin; Huntington, Channing; McNaney, James; Smith, Ray; Panas, Cynthia; Cook, Angela; Remington, Bruce; Arsenlis, Tom; Graham, Peter
2015-11-01
A series of experiments were performed on NIF to develop a planar, 3-shock, low-adiabat drive for material science experiments. Physics samples (Ta, Pb, etc.) are loaded to 3-4 Mbar while staying well below the melt temperature. X-ray ablation from an indirect drive launches a strong (~ 50 Mbar), decaying shock through a precision fabricated ``reservoir,'' consisting of a CH ablator, followed by layers of Al, CH(18.75%I), ~ 375 mg/cc carbonized resorcinol formaldehyde foam, and a final layer of low density (10-35) mg/cc foam. As the releasing reservoir stagnates on a Ta drive plate, VISAR is used to measures the resulting compression waves. The lowest density reservoir layer is responsible for the leading shock and induces the most entropy during the drive. LLNL has developed a new, low-density foam called JX6 (C20H30) for the purpose of controlling the leading shock. We will describe a series of experiments done on NIF to test the combined release and recompression properties of JX6 and to develop a new, lower-adiabat drive. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.
NASA Astrophysics Data System (ADS)
Shedge, Sapana V.; Pal, Sourav; Köster, Andreas M.
2011-07-01
Recently, two non-iterative approaches have been proposed to calculate response properties within density functional theory (DFT). These approaches are auxiliary density perturbation theory (ADPT) and the non-iterative approach to the coupled-perturbed Kohn-Sham (NIA-CPKS) method. Though both methods are non-iterative, they use different techniques to obtain the perturbed Kohn-Sham matrix. In this Letter, for the first time, both of these two independent methods have been used for the calculation of dipole-quadrupole polarizabilities. To validate these methods, three tetrahedral molecules viz., P4,CH4 and adamantane (C10H16) have been used as examples. The comparison with MP2 and CCSD proves the reliability of the methodology.
Sadeghian, Keyarash; Bocola, Marco; Schütz, Martin
2011-05-01
The intermolecular interactions of the photodamaged cyclobutane pyrimidine dimer (CPD) lesion with adjacent nucleobases in the native intrahelical DNA double strand are investigated at the level of density functional theory symmetry-adapted perturbation theory (DFT-SAPT) and compared to the original (or repaired) case with pyrimidines (TpT) instead of CPD. The CPD aggregation is on average destabilized by about 6 kcal mol(-1) relative to that involving TpT. The effect of destabilization is asymmetric, that is, it involves a single H-bonding (Watson-Crick (WC) type) base-pair interaction. PMID:21452189
Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam
2014-08-14
Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G{sub 0}W{sub 0} and G{sub 0}W{sub 0}+BSE approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G{sub 0}W{sub 0}+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G{sub 0}W{sub 0} quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies.
NASA Technical Reports Server (NTRS)
Hung, R. J.; Lee, C. C.; Johnson, D. L.; Chen, A. J.
1991-01-01
The simultaneous measurements of VHF radar and HF Doppler array systems are used to observe three-dimensional wind speeds and gravity waves with the purpose of determining the density perturbations at different heights of mesosphere and thermosphere induced by the convective motions associated with subtropical heavy rainfall during the time period of the raining season. Frequency, horizontal wavelength, vertical wavelength, and phase velocity of the gravity waves are determined from the Fourier power spectral analysis of horizontal and vertical wind velocities. The results are compared with those of density perturbations caused by typhoons, tropical storms, and winter-time drizzles associated with convective motions. It is shown that the maximum amplitude of the density perturbations caused by the gravity waves is +/- 10 pct which is greater than that of density perturbations caused by gravity waves associated with weak convective motions in winter time and is smaller than that caused by the gravity waves associated with tropical storms.
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.
The dynamic instability of adiabatic blast waves
NASA Astrophysics Data System (ADS)
Ryu, Dongsu; Vishniac, Ethan T.
1991-02-01
Adiabatic blastwaves, which have a total energy injected from the center E varies as tq and propagate through a preshock medium with a density rhoE varies as r-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.
The dynamic instability of adiabatic blastwaves
NASA Astrophysics Data System (ADS)
Ryu, Dongsu; Vishniac, Ethan T.
1990-05-01
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.
Angyan, Janos G.; Gerber, Iann C.; Savin, Andreas; Toulouse, Julien
2005-07-15
Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a 'range-separated hybrid' functional based on a local density approximation for the short-range exchange-correlation energy, combined with a long-range exact exchange energy. Long-range correlation effects are added by a second-order perturbational treatment. The resulting scheme is general and is particularly well adapted to describe van der Waals complexes, such as rare gas dimers.
Sneutrino condensate source for density perturbations, leptogenesis, and low reheat temperature.
Mazumdar, Anupam; Pérez-Lorenzana, Abdel
2004-06-25
We bring together some known ingredients beyond the standard model physics that can explain the hot big bang model with the observed baryon asymmetry and also the fluctuations in the cosmic microwave background radiation with a minimal set of assumptions. We propose an interesting scenario where the inflaton energy density is dumped into an infinitely large extra dimension. Instead of the inflaton it is the right handed sneutrino condensate, which is acquiring a nonzero vacuum expectation value during inflation, whose fluctuations are responsible for the density perturbations seen in the cosmic microwave background radiation with a spectral index n(s) approximately 1. The decay of the condensate is explaining the reheating of the Universe with a temperature, T(rh)< or =10(9) GeV, and the baryon asymmetry of order one part in 10(10) with no baryon-isocurvature fluctuations. PMID:15244992
NASA Astrophysics Data System (ADS)
Singh, Ashmeet; Sharma, Prateek
2015-01-01
Cool cluster cores are in global thermal equilibrium but are locally thermally unstable. We study a non-linear phenomenological model for the evolution of density perturbations in the intracluster medium (ICM) due to local thermal instability and gravity. We have analysed and extended a model for the evolution of an overdense blob in the ICM. We find two regimes in which the overdense blobs can cool to thermally stable low temperatures. One for large tcool/tff (tcool is the cooling time and tff is the free-fall time), where a large initial overdensity is required for thermal runaway to occur; this is the regime which was previously analysed in detail. We discover a second regime for tcool/tff ≲ 1 (in agreement with Cartesian simulations of local thermal instability in an external gravitational field), where runaway cooling happens for arbitrarily small amplitudes. Numerical simulations have shown that cold gas condenses out more easily in a spherical geometry. We extend the analysis to include geometrical compression in weakly stratified atmospheres such as the ICM. With a single parameter, analogous to the mixing length, we are able to reproduce the results from numerical simulations; namely, small density perturbations lead to the condensation of extended cold filaments only if tcool/tff ≲ 10.
NASA Technical Reports Server (NTRS)
Mcclelland, J.; Silk, J.
1979-01-01
The evolution of the two-point correlation function for the large-scale distribution of galaxies in an expanding universe is studied on the assumption that the perturbation densities lie in a Gaussian distribution centered on any given mass scale. The perturbations are evolved according to the Friedmann equation, and the correlation function for the resulting distribution of perturbations at the present epoch is calculated. It is found that: (1) the computed correlation function gives a satisfactory fit to the observed function in cosmological models with a density parameter (Omega) of approximately unity, provided that a certain free parameter is suitably adjusted; (2) the power-law slope in the nonlinear regime reflects the initial fluctuation spectrum, provided that the density profile of individual perturbations declines more rapidly than the -2.4 power of distance; and (3) both positive and negative contributions to the correlation function are predicted for cosmological models with Omega less than unity.
Statistics of initial density perturbations in heavy ion collisions and their fluid dynamic response
NASA Astrophysics Data System (ADS)
Floerchinger, Stefan; Wiedemann, Urs Achim
2014-08-01
An interesting opportunity to determine thermodynamic and transport properties in more detail is to identify generic statistical properties of initial density perturbations. Here we study event-by-event fluctuations in terms of correlation functions for two models that can be solved analytically. The first assumes Gaussian fluctuations around a distribution that is fixed by the collision geometry but leads to non-Gaussian features after averaging over the reaction plane orientation at non-zero impact parameter. In this context, we derive a three-parameter extension of the commonly used Bessel-Gaussian event-by-event distribution of harmonic flow coefficients. Secondly, we study a model of N independent point sources for which connected n-point correlation functions of initial perturbations scale like 1 /N n-1. This scaling is violated for non-central collisions in a way that can be characterized by its impact parameter dependence. We discuss to what extent these are generic properties that can be expected to hold for any model of initial conditions, and how this can improve the fluid dynamical analysis of heavy ion collisions.
X-ray energy flow and radiography measurements of evolving density perturbations
NASA Astrophysics Data System (ADS)
Moore, A. S.; Graham, P.; Taylor, M. J.; Foster, J. M.; Sorce, C.; Reighard, A.; MacLaren, S.; Young, P.; Glendinning, G.; Blue, B. E.; Back, C. A.; Hund, J.
2008-11-01
X-radiation transport through plasma density gradients, such as N-waves, form a closely coupled system that is challenging to simulate. Such situations are a key component of the physics of laser-heated hohlraums occurring in the laser-heated cavity and also in the laser-entry and any diagnostic holes. In addition the similarity to some astrophysical conditions may mean that such experiments can be used as a laboratory-scale analogue for their investigation. To better understand these phenomena, we present results from a series of experiments performed at the Omega laser facility. Using a laser-heated hohlraum drive, a tantalum aerogel with an initial seed perturbation is heated, and x-rays initially free-stream through the perturbation before they fill with plasma and radiation transport becomes diffuse. We present energy flux measurements diagnosed using two different methods, and complementary radiography results that achieve sufficient contrast, despite the high background of the hohlraum, to enable the complex shock interactions and stagnation to be directly observed. These results are compared with simulations performed using a 2-D Eulerian hydrocode, which are able to reproduce the overall energetics, and much of the details of the deceleration shock and axial stagnation region at the centre of the slit.
Nonlinear evolution of an arbitrary density perturbation in a cold homogeneous unmagnetized plasma
Verma, Prabal Singh; Sengupta, Sudip; Kaw, Predhiman K.
2011-01-15
An exact and general analytical solution describing the nonlinear evolution of a large amplitude plasma oscillation initiated by an arbitrary density perturbation which can be expressed as a Fourier series in x is found. This general solution is first used to reproduce the earlier results of R. C. Davidson and P. P. Schram [Nucl. Fusion 8, 183 (1968)] and J. M. Dawson [Phys. Rev. 113, 383 (1959)] using appropriate initial conditions and later applied to derive the space time evolution for a square wave and a triangular wave. It is found that the addition of a second harmonic increases the wave breaking limit of the fundamental mode. Analytical results pertaining to this two mode case have been verified using one-dimensional particle-in-cell simulation.
Towards Sparse-Direct Interaction Perturbation (SDIP) for Variable-Density Flow
NASA Astrophysics Data System (ADS)
Petty, David; Pantano, Carlos
2015-11-01
A numerical method has been developed to solve the set of integro-differential equations which result from applying the Sparse Direct-Interaction Perturbation (SDIP) technique to the low-speed, variable-density Navier-Stokes equations. This type of turbulence is at the heart of mixing and combustion applications. SDIP is a second-order moment closure theory that has particular relevance to the modeling of fluid turbulence. The strongly nonlinear numerical problem has been formulated as a system of equations using finite differences in time decorrelation, interpolation, variable-order quadratures, and mesh adaptation. The solution to this system has been made practicable by the construction of the full Jacobian of the numerical method using the Automatic Differentiation by OverLoading in C++ (ADOL-C) library. Special coordinate transformations were found to be essential for robust calculations of integrals that are not absolutely convergent; cancellations of singularities must be treated accurately. Progress towards the determination of the turbulence kinetic energy spectrum and velocity-scalar cospectra of the low-speed, variable-density Navier-Stokes equations derived from the SDIP solver will be discussed. The authors would like to thank the grant support for this research provided by the Air Force Office of Scientific Research, and the Department of Energy.
NASA Astrophysics Data System (ADS)
Tsujikawa, Shinji; Brandenberger, Robert; Finelli, Fabio
2002-10-01
We consider the construction of nonsingular pre-big-bang and ekpyrotic type cosmological models realized by the addition to the action of specific higher-order terms stemming from quantum corrections. We study models involving general relativity coupled to a single scalar field with a potential motivated by the ekpyrotic scenario. We find that the inclusion of the string loop and quantum correction terms in the string frame makes it possible to obtain solutions of the variational equations which are nonsingular and bouncing in the Einstein frame, even when a negative exponential potential is present, as is the case in the ekpyrotic scenario. This allows us to discuss the evolution of cosmological perturbations without the need to invoke matching conditions between two Einstein universes, one representing the contracting branch, the second the expanding branch. We analyze the spectra of perturbations produced during the bouncing phase and find that the spectrum of curvature fluctuations in the model proposed originally to implement the ekpyrotic scenario has a large blue tilt (nR=3). Except for instabilities introduced on small scales, the result agrees with what is obtained by imposing continuity of the induced metric and of the extrinsic curvature across a constant scalar field (up to k2 corrections equal to the constant energy density) matching surface between the contracting and the expanding Einstein universes. We also discuss nonsingular cosmological solutions obtained when a Gauss-Bonnet term with a coefficient suitably dependent on the scalar matter field is added to the action in the Einstein frame with a potential for the scalar field present. In this scenario, nonsingular solutions are found which start in an asymptotically flat state, undergo a period of superexponential inflation, and end with a graceful exit. The spectrum of fluctuations is also calculated in this case.
Multifield cosmological perturbations at third order and the ekpyrotic trispectrum
Lehners, Jean-Luc; Renaux-Petel, Sebastien
2009-09-15
Using the covariant formalism, we derive the equations of motion for adiabatic and entropy perturbations at third order in perturbation theory for cosmological models involving two scalar fields. We use these equations to calculate the trispectrum of ekpyrotic and cyclic models in which the density perturbations are generated via the entropic mechanism. In these models, the conversion of entropy into curvature perturbations occurs just before the big bang, either during the ekpyrotic phase or during the subsequent kinetic energy dominated phase. In both cases, we find that the nonlinearity parameters f{sub NL} and g{sub NL} combine to leave a very distinct observational imprint.
NASA Technical Reports Server (NTRS)
Shelton, J. D.; Gardner, C. S.
1981-01-01
The density response of atmospheric layers to gravity waves is developed in two forms, an exact solution and a perturbation series solution. The degree of nonlinearity in the layer density response is described by the series solution whereas the exact solution gives insight into the nature of the responses. Density perturbation in an atmospheric layer are shown to be substantially greater than the atmospheric density perturbation associated with the propagation of a gravity wave. Because of the density gradients present in atmospheric layers, interesting effects were observed such as a phase reversal in the linear layer response which occurs near the layer peak. Once the layer response is understood, the sodium layer can be used as a tracer of atmospheric wave motions. A two dimensional digital signal processing technique was developed. Both spatial and temporal filtering are utilized to enhance the resolution by decreasing shot noise by more han 10 dB. Many of the features associated with a layer density response to gravity waves were observed in high resolution density profiles of the mesospheric sodium layer. These include nonlinearities as well as the phase reversal in the linear layer response.
Weck, Philippe F.; Kim, Eunja; Tikare, Veena; Mitchell, John A.
2015-10-13
Here, the elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy cubic Pn-3m with combining macron]m polymorph of δ-ZrH_{1.5} does not satisfy all the Born requirements for mechanical stability, unlike its nearly degenerate tetragonal P4_{2}/mcm polymorph. Elastic moduli predicted with the Voigt–Reuss–Hill approximations suggest that mechanical stability of α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates is limited by the shear modulus. According to both Pugh's and Poisson's ratios, α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates can be considered ductile. The Debye temperatures predicted for γ-ZrH, δ-ZrH_{1.5} and ε-ZrH_{2} are θ_{D} = 299.7, 415.6 and 356.9 K, respectively, while θ_{D} = 273.6, 284.2, 264.1 and 257.1 K for the α-Zr, Zry-4, ZIRLO and M5 matrices, i.e. suggesting that Zry-4 possesses the highest micro-hardness among Zr matrices.
Weck, Philippe F.; Kim, Eunja; Tikare, Veena; Mitchell, John A.
2015-10-13
Here, the elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy cubic Pn-3m with combining macron]m polymorph of δ-ZrH1.5 does not satisfy all the Born requirements for mechanical stability, unlike its nearly degenerate tetragonal P42/mcm polymorph. Elastic moduli predicted with the Voigt–Reuss–Hill approximations suggest that mechanical stability of α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates is limited by the shear modulus. According to both Pugh's and Poisson's ratios, α-Zr, Zr-alloy and Zr-hydride polycrystalline aggregates can be considered ductile. The Debye temperatures predicted formore » γ-ZrH, δ-ZrH1.5 and ε-ZrH2 are θD = 299.7, 415.6 and 356.9 K, respectively, while θD = 273.6, 284.2, 264.1 and 257.1 K for the α-Zr, Zry-4, ZIRLO and M5 matrices, i.e. suggesting that Zry-4 possesses the highest micro-hardness among Zr matrices.« less
Tension between the power spectrum of density perturbations measured on large and small scales
NASA Astrophysics Data System (ADS)
Battye, Richard A.; Charnock, Tom; Moss, Adam
2015-05-01
There is a tension between measurements of the amplitude of the power spectrum of density perturbations inferred using the cosmic microwave background (CMB) and directly measured by large-scale structure (LSS) on smaller scales. We show that this tension exists, and is robust, for a range of LSS indicators including clusters, lensing and redshift space distortions and using CMB data from either Planck or WMAP +SPT /ACT . One obvious way to try to reconcile this is the inclusion of a massive neutrino which could be either active or sterile. Using Planck and a combination of all the LSS data we find that (i) for an active neutrino ∑mν=(0.357 ±0.099 ) eV and (ii) for a sterile neutrino msterileeff=(0.67 ±0.18 ) eV and Δ Neff=0.32 ±0.20 . This is, however, at the expense of a degraded fit to Planck temperature data, and we quantify the residual tension at 2.5 σ and 1.6 σ for massive and sterile neutrinos, respectively. We also consider alternative explanations including a lower redshift for reionization that would be in conflict with polarization measurements made by WMAP and ad hoc modifications to the primordial power spectrum.
Krykunov, Mykhaylo; Seth, Mike; Ziegler, Tom
2014-05-14
We have applied the relaxed and self-consistent extension of constricted variational density functional theory (RSCF-CV-DFT) for the calculation of the lowest charge transfer transitions in the molecular complex X-TCNE between X = benzene and TCNE = tetracyanoethylene. Use was made of functionals with a fixed fraction (α) of Hartree-Fock exchange ranging from α = 0 to α = 0.5 as well as functionals with a long range correction (LC) that introduces Hartree-Fock exchange for longer inter-electronic distances. A detailed comparison and analysis is given for each functional between the performance of RSCF-CV-DFT and adiabatic time-dependent density functional theory (TDDFT) within the Tamm-Dancoff approximation. It is shown that in this particular case, all functionals afford the same reasonable agreement with experiment for RSCF-CV-DFT whereas only the LC-functionals afford a fair agreement with experiment using TDDFT. We have in addition calculated the CT transition energy for X-TCNE with X = toluene, o-xylene, and naphthalene employing the same functionals as for X = benzene. It is shown that the calculated charge transfer excitation energies are in as good agreement with experiment as those obtained from highly optimized LC-functionals using adiabatic TDDFT. We finally discuss the relation between the optimization of length separation parameters and orbital relaxation in the RSCF-CV-DFT scheme.
NASA Astrophysics Data System (ADS)
Baxter, Matthew; Kirchner, Tom
2016-01-01
A recent model to describe electron correlations in time-dependent density-functional-theory (TDDFT) studies of antiproton-helium collisions is extended to deal with positively charged projectiles. The main complication is that a positively charged projectile can capture electrons in addition to ionizing them to the continuum. As a consequence, within the TDDFT framework one needs to consider three, instead of just one, correlation integrals (Ic's) when formally expressing the probabilities for the one- and two-electron processes in terms of the density. We discuss an extension of an adiabatic model for Ic to a two-centered system. Total cross sections for single ionization, double ionization, single capture, transfer ionization, and double capture are presented for both proton-helium and He2+-He collisions for impact energies in the approximate range 10-1000 keV/amu. One- and two-electron removal cross sections are also presented for the p -He system, with a comparison to updated antiproton-helium results. Our results, while mixed, demonstrate the relative importance of dynamic and functional correlations in a TDDFT description of collision processes.
Band alignment of semiconductors from density-functional theory and many-body perturbation theory
NASA Astrophysics Data System (ADS)
Hinuma, Yoyo; Grüneis, Andreas; Kresse, Georg; Oba, Fumiyasu
2014-10-01
The band lineup, or alignment, of semiconductors is investigated via first-principles calculations based on density functional theory (DFT) and many-body perturbation theory (MBPT). Twenty-one semiconductors including C, Si, and Ge in the diamond structure, BN, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe in the zinc-blende structure, and GaN and ZnO in the wurtzite structure are considered in view of their fundamental and technological importance. Band alignments are determined using the valence and conduction band offsets from heterointerface calculations, the ionization potential (IP) and electron affinity (EA) from surface calculations, and the valence band maximum and conduction band minimum relative to the branch point energy, or charge neutrality level, from bulk calculations. The performance of various approximations to DFT and MBPT, namely the Perdew-Burke-Ernzerhof (PBE) semilocal functional, the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, and the GW approximation with and without vertex corrections in the screened Coulomb interaction, is assessed using the GWΓ1 approximation as a reference, where first-order vertex corrections are included in the self-energy. The experimental IPs, EAs, and band offsets are well reproduced by GWΓ1 for most of the semiconductor surfaces and heterointerfaces considered in this study. The PBE and HSE functionals show sizable errors in the IPs and EAs, in particular for group II-VI semiconductors with wide band gaps, but are much better in the prediction of relative band positions or band offsets due to error cancellation. The performance of the GW approximation is almost on par with GWΓ1 as far as relative band positions are concerned. The band alignments based on average interfacial band offsets for all pairs of 17 semiconductors and branch point energies agree with explicitly calculated interfacial band offsets with small mean absolute errors of both ˜0.1eV, indicating a
NASA Astrophysics Data System (ADS)
Hammel, B. A.; Pickworth, L.; Smalyuk, V.; Macphee, A.; Scott, H. A.; Robey, H.; Barrios, M.; Regan, S. P.
2015-11-01
Quantitative measurements of shell-RhoR perturbations in capsules near peak implosion velocity (PV) are challenging. An external backlighter samples both sides of the shell, unless a re-entrant cone is used (potentially perturbing implosion). Emission from the hot core, after shock-stagnation and prior to PV, has been used as a self-backlighter, providing a means to sample one side of the capsule. Adding high-Z gas (~ 1% Ar) to the capsule fill in Symcaps (4He), has produced a continuum backlighter with significant increase in emission at photon energies ~ 8 keV over nominal fills. From images of the transmitted self-emission, above and below the K-edge of an internally doped Cu layer, we infer the growth at PV of imposed perturbations (100 nm amplitude, mode 40). Prepared by LLNL under Contract DE-AC52-07NA27344.
NASA Technical Reports Server (NTRS)
Stokan, E.; Campbell-Brown, M. D.
2011-01-01
This is a preliminary investigation of how perturbations to meteoroid shape or atmospheric density affect a meteor light curve. A simple equation of motion and ablation are simultaneously solved numerically to give emitted light intensity as a function of height. It is found that changing the meteoroid shape, by changing the relationship between the cross-section area and the mass, changes the curvature and symmetry of the light curve, while making a periodic oscillation in atmospheric density gives a small periodic oscillation in the light curve.
Experimental breaking of an adiabatic invariant
NASA Astrophysics Data System (ADS)
Notte, J.; Fajans, J.; Chu, R.; Wurtele, J. S.
1993-06-01
When a cylindrical pure electron plasma is displaced from the center of the trap, it performs a bulk circular orbital motion known as the l=1 diocotron mode. The slow application of a perturbing potential to a patch on the trap wall distorts the orbit into a noncircular closed path. Experiments and a simple theoretical model indicate that the area by the loop is an adiabatic invariant. Detailed studies are made of the breaking of the invariant when perturbations are rapidly applied. When the perturbation is applied with discontinuous time derivatives, the invariant breaking greatly exceeds the predictions of the standard theory for smooth perturbations.
NASA Astrophysics Data System (ADS)
Yang, Chun; Feiguin, Adrian E.
2016-02-01
We study the spectral function of the two-dimensional Hubbard model using cluster perturbation theory, and a density matrix renormalization group as a cluster solver. We reconstruct the two-dimensional dispersion at and away from half-filling using 2 ×L ladders, with L up to 80 sites, yielding results with unprecedented resolution in excellent agreement with quantum Monte Carlo. The main features of the spectrum can be described with a mean-field dispersion, with kinks and pseudogap traced back to scattering between spin and charge degrees of freedom.
Self-advection of density perturbations on a sloping continental shelf
Ping-Tung Shaw; Csanady, G.T.
1983-05-01
Bottom water movement on the continental shelf is modeled by the nonlinear interaction between longshore bottom geostrophic flow and the density field. Bottom geostrophic velocity, subject to linear steady momentum equations with linear bottom friction, can be generated by along-isobath density variations over a sloping bottom. At the same time, the density field is slowly advected by the velocity field. Away from boundary layers, the interplay is governed by Burgers' equation, which shows the formation and self-propulsion of strong density gradients along an isobath. The direction of propagation of a dense water blob is to have shallow water on the right- (left-) hand side facing downstream in the Northern (Southern) Hemisphere. The propagation of a light water blob is opposite to that of a dense water blob.
Sensitivity of the solution of the Elder problem to density, velocity and numerical perturbations
NASA Astrophysics Data System (ADS)
Park, Chan-Hee; Aral, Mustafa M.
2007-06-01
In this paper the Elder problem is studied with the purpose of evaluating the inherent instabilities associated with the numerical solution of this problem. Our focus is first on the question of the existence of a unique numerical solution for this problem, and second on the grid density and fluid density requirements necessary for a unique numerical solution. In particular we have investigated the instability issues associated with the numerical solution of the Elder problem from the following perspectives: (i) physical instability issues associated with density differences; (ii) sensitivity of the numerical solution to idealization irregularities; and, (iii) the importance of a precise velocity field calculation and the association of this process with the grid density levels that is necessary to solve the Elder problem accurately. In the study discussed here we have used a finite element Galerkin model we have developed for solving density-dependent flow and transport problems, which will be identified as TechFlow. In our study, the numerical results of Frolkovič and de Schepper [Frolkovič, P. and H. de Schepper, 2001. Numerical modeling of convection dominated transport coupled with density-driven flow in porous media, Adv. Water Resour., 24, 63-72.] were replicated using the grid density employed in their work. We were also successful in duplicating the same result with a less dense grid but with more computational effort based on a global velocity estimation process we have adopted. Our results indicate that the global velocity estimation approach recommended by Yeh [Yeh, G.-T., 1981. On the computation of Darcian velocity and mass balance in finite element modelling of groundwater flow, Water Resour. Res., 17(5), 1529-1534.] allows the use of less dense grids while obtaining the same accuracy that can be achieved with denser grids. We have also observed that the regularity of the elements in the discretization of the solution domain does make a difference
NASA Technical Reports Server (NTRS)
Ho, C. W.; Horwitz, J. L.; Singh, N.; Wilson, G. R.
1993-01-01
Comparisons are made between transport and semikinetic models in a study of the time evolution of plasma density perturbations in the polar wind. The situations modeled include plasma expansion into a low-density region and time evolution of localized density enhancements and cavities. The results show that the semikinetic model generally yields smoother profiles in density, drift velocity, and ion temperature than the transport model, principally because of ion velocity dispersion. While shocks frequently develop in the results of the transport model, they do not occur in the semikinetic results. In addition, in the semikinetic results, two ion streams, or double-humped distributions, frequently develop. In the transport model results the bulk parameters, at a given time, often have a one-to-one correspondence in the locations of their local minima or maxima. This is a consequence of the coupling of the fluid equations. There is, however, no such relationship among the moments produced by the semikinetic model where the local moment maxima and minima are often shifted in altitude. In general, incorporation of enhanced heat fluxes in the transport model leads to somewhat improved agreement with the semikinetic results.
Density response of the mesospheric sodium layer to gravity wave perturbations
NASA Technical Reports Server (NTRS)
Shelton, J. D.; Gardner, C. S.; Sechrist, C. F., Jr.
1980-01-01
Lidar observations of the mesospheric sodium layer often reveal wavelike features moving through the layer. It is often assumed that these features are a layer density response to gravity waves. Chiu and Ching (1978) described the approximate form of the linear response of atmospheric layers to gravity waves. In this paper, their results are used to predict the response of the sodium layer to gravity waves. These simulations are compared with experimental observations and a good correlation is found between the two. Because of the thickness of the sodium layer and the density gradients found in it, a linear model of the layer response is not always adequate to describe gravity wave-sodium layer interactions. Inclusion of nonlinearities in the layer response is briefly discussed. Experimental data is seen to contain features consistent with the predicted nonlinearities.
NASA Astrophysics Data System (ADS)
Gjerloev, J. W.; Potter, M.; Muhleisen, M.; Friel, M. M.; Martin, P.; Le, G.; Stolle, C.; Luhr, H.
2014-12-01
In this paper, we perform critical test of the well-known curlometer technique. The curlometer technique allows a derivation of the current density using measurements of the magnetic field at spatially separated points. At LEO altitudes this generally three dimensionally problem is simplified to a two dimensions by the fact that the current is almost solely flowing along the magnetic field lines. Strictly speaking the current density is derived from integration around a closed loop but in the curlometer technique this integration is simplified to a summation over just three points. In this paper we present a critical analysis of when and to what extend this approximation is valid. We show some simple theoretical considerations, results from a series of simulations, and finally apply the knowledge to ESA SWARM measurements.
NASA Astrophysics Data System (ADS)
Dimitropoulos, A.; Grishchuk, L. P.; Sathyaprakash, B. S.
The important studies of Peebles, and Bond and Efstathiou have led to the formula Cl=const./[l(l+1)] aimed at describing the lower order multipoles of the CMBR temperature variations caused by density perturbations with the flat spectrum. Clearly, this formula requires amendments, as it predicts an infinitely large monopole C0, and a dipole moment C1 only 6/2 times larger than the quadrupole C2, both predictions in conflict with observations. We restore the terms omitted in the course of the derivation of this formula, and arrive at a new expression. According to the corrected formula, the monopole moment is finite and small, while the dipole moment is sensitive to short-wavelength perturbations, and numerically much larger than the quadrupole, as one would expect on physical grounds. At the same time, the function l(l+1)Cl deviates from a horizontal line and grows with l, for l>=2. We show that the inclusion of the modulating (transfer) function terminates the growth and forms the first peak, recently observed. We fit the theoretical curves to the position and height of the first peak, as well as to the observed dipole, varying three parameters: red-shift at decoupling, red-shift at matter-radiation equality, and slope of the primordial spectrum. It appears that there is always a deficit, as compared with the COBE observations, at small multipoles, l~10. We demonstrate that a reasonable and theoretically expected amount of gravitational waves bridges this gap at small multipoles, leaving the other fits as good as before. We show that the observationally acceptable models permit somewhat ``blue'' primordial spectra. This allows one to avoid the infrared divergence of cosmological perturbations, which is otherwise present.
NASA Astrophysics Data System (ADS)
Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.
2012-07-01
Many approximations have been developed to help deal with the O(N4) growth of the electron repulsion integral (ERI) tensor, where N is the number of one-electron basis functions used to represent the electronic wavefunction. Of these, the density fitting (DF) approximation is currently the most widely used despite the fact that it is often incapable of altering the underlying scaling of computational effort with respect to molecular size. We present a method for exploiting sparsity in three-center overlap integrals through tensor decomposition to obtain a low-rank approximation to density fitting (tensor hypercontraction density fitting or THC-DF). This new approximation reduces the 4th-order ERI tensor to a product of five matrices, simultaneously reducing the storage requirement as well as increasing the flexibility to regroup terms and reduce scaling behavior. As an example, we demonstrate such a scaling reduction for second- and third-order perturbation theory (MP2 and MP3), showing that both can be carried out in O(N4) operations. This should be compared to the usual scaling behavior of O(N5) and O(N6) for MP2 and MP3, respectively. The THC-DF technique can also be applied to other methods in electronic structure theory, such as coupled-cluster and configuration interaction, promising significant gains in computational efficiency and storage reduction.
NASA Astrophysics Data System (ADS)
Seki, K.; Yunoki, S.
2016-06-01
By combining the tetrahedron method with the cluster perturbation theory (CPT), we present an accurate method to numerically calculate the density of states of interacting fermions without introducing the Lorentzian broadening parameter η or the numerical extrapolation of η →0 . The method is conceptually based on the notion of the effective single-particle Hamiltonian which can be subtracted in the Lehmann representation of the single-particle Green's function within the CPT. Indeed, we show the general correspondence between the self-energy and the effective single-particle Hamiltonian which describes exactly the single-particle excitation energies of interacting fermions. The detailed formalism is provided for two-dimensional multiorbital systems and a benchmark calculation is performed for the two-dimensional single-band Hubbard model. The method can be adapted straightforwardly to symmetry-broken states, three-dimensional systems, and finite-temperature calculations.
Jung, Yousung; Shao, Yihan; Gordon, Mark S.; Doren, Douglas J.; Head-Gordon, Martin
2003-08-29
We report a spin-unrestricted density functional theory (DFT) solution at the symmetric dimer structure for cluster models of Si(100). With this solution, it is shown that the symmetric structure is a minimum on the DFT potential energy surface, although higher in energy than the buckled structure. In restricted DFT calculations the symmetric structure is a saddle point connecting the two buckled minima. To further assess the effects of electron correlation on the relative energies of symmetric versus buckled dimers on Si(100), multireference second order perturbation theory (MRMP2) calculations are performed on these DFT optimized minima. The symmetric structure is predicted to be lower in energy than the buckled structure via MRMP2, while the reverse order is found by DFT. The implications for recent experimental interpretations are discussed.
Wigner phase space distribution via classical adiabatic switching.
Bose, Amartya; Makri, Nancy
2015-09-21
Evaluation of the Wigner phase space density for systems of many degrees of freedom presents an extremely demanding task because of the oscillatory nature of the Fourier-type integral. We propose a simple and efficient, approximate procedure for generating the Wigner distribution that avoids the computational difficulties associated with the Wigner transform. Starting from a suitable zeroth-order Hamiltonian, for which the Wigner density is available (either analytically or numerically), the phase space distribution is propagated in time via classical trajectories, while the perturbation is gradually switched on. According to the classical adiabatic theorem, each trajectory maintains a constant action if the perturbation is switched on infinitely slowly. We show that the adiabatic switching procedure produces the exact Wigner density for harmonic oscillator eigenstates and also for eigenstates of anharmonic Hamiltonians within the Wentzel-Kramers-Brillouin (WKB) approximation. We generalize the approach to finite temperature by introducing a density rescaling factor that depends on the energy of each trajectory. Time-dependent properties are obtained simply by continuing the integration of each trajectory under the full target Hamiltonian. Further, by construction, the generated approximate Wigner distribution is invariant under classical propagation, and thus, thermodynamic properties are strictly preserved. Numerical tests on one-dimensional and dissipative systems indicate that the method produces results in very good agreement with those obtained by full quantum mechanical methods over a wide temperature range. The method is simple and efficient, as it requires no input besides the force fields required for classical trajectory integration, and is ideal for use in quasiclassical trajectory calculations. PMID:26395694
Wigner phase space distribution via classical adiabatic switching
Bose, Amartya; Makri, Nancy
2015-09-21
Evaluation of the Wigner phase space density for systems of many degrees of freedom presents an extremely demanding task because of the oscillatory nature of the Fourier-type integral. We propose a simple and efficient, approximate procedure for generating the Wigner distribution that avoids the computational difficulties associated with the Wigner transform. Starting from a suitable zeroth-order Hamiltonian, for which the Wigner density is available (either analytically or numerically), the phase space distribution is propagated in time via classical trajectories, while the perturbation is gradually switched on. According to the classical adiabatic theorem, each trajectory maintains a constant action if the perturbation is switched on infinitely slowly. We show that the adiabatic switching procedure produces the exact Wigner density for harmonic oscillator eigenstates and also for eigenstates of anharmonic Hamiltonians within the Wentzel-Kramers-Brillouin (WKB) approximation. We generalize the approach to finite temperature by introducing a density rescaling factor that depends on the energy of each trajectory. Time-dependent properties are obtained simply by continuing the integration of each trajectory under the full target Hamiltonian. Further, by construction, the generated approximate Wigner distribution is invariant under classical propagation, and thus, thermodynamic properties are strictly preserved. Numerical tests on one-dimensional and dissipative systems indicate that the method produces results in very good agreement with those obtained by full quantum mechanical methods over a wide temperature range. The method is simple and efficient, as it requires no input besides the force fields required for classical trajectory integration, and is ideal for use in quasiclassical trajectory calculations.
Wigner phase space distribution via classical adiabatic switching
NASA Astrophysics Data System (ADS)
Bose, Amartya; Makri, Nancy
2015-09-01
Evaluation of the Wigner phase space density for systems of many degrees of freedom presents an extremely demanding task because of the oscillatory nature of the Fourier-type integral. We propose a simple and efficient, approximate procedure for generating the Wigner distribution that avoids the computational difficulties associated with the Wigner transform. Starting from a suitable zeroth-order Hamiltonian, for which the Wigner density is available (either analytically or numerically), the phase space distribution is propagated in time via classical trajectories, while the perturbation is gradually switched on. According to the classical adiabatic theorem, each trajectory maintains a constant action if the perturbation is switched on infinitely slowly. We show that the adiabatic switching procedure produces the exact Wigner density for harmonic oscillator eigenstates and also for eigenstates of anharmonic Hamiltonians within the Wentzel-Kramers-Brillouin (WKB) approximation. We generalize the approach to finite temperature by introducing a density rescaling factor that depends on the energy of each trajectory. Time-dependent properties are obtained simply by continuing the integration of each trajectory under the full target Hamiltonian. Further, by construction, the generated approximate Wigner distribution is invariant under classical propagation, and thus, thermodynamic properties are strictly preserved. Numerical tests on one-dimensional and dissipative systems indicate that the method produces results in very good agreement with those obtained by full quantum mechanical methods over a wide temperature range. The method is simple and efficient, as it requires no input besides the force fields required for classical trajectory integration, and is ideal for use in quasiclassical trajectory calculations.
Nonadiabatic exchange dynamics during adiabatic frequency sweeps
NASA Astrophysics Data System (ADS)
Barbara, Thomas M.
2016-04-01
A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging.
Extensive Adiabatic Invariants for Nonlinear Chains
NASA Astrophysics Data System (ADS)
Giorgilli, Antonio; Paleari, Simone; Penati, Tiziano
2012-09-01
We look for extensive adiabatic invariants in nonlinear chains in the thermodynamic limit. Considering the quadratic part of the Klein-Gordon Hamiltonian, by a linear change of variables we transform it into a sum of two parts in involution. At variance with the usual method of introducing normal modes, our constructive procedure allows us to exploit the complete resonance, while keeping the extensive nature of the system. Next we construct a nonlinear approximation of an extensive adiabatic invariant for a perturbation of the discrete nonlinear Schrödinger model. The fluctuations of this quantity are controlled via Gibbs measure estimates independent of the system size, for a large set of initial data at low specific energy. Finally, by numerical calculations we show that our adiabatic invariant is well conserved for times much longer than predicted by our first order theory, with fluctuation much smaller than expected according to standard statistical estimates.
NASA Astrophysics Data System (ADS)
MacDermott, A. J.; Hyde, G. O.; Cohen, A. J.
2009-03-01
We present new coupled-perturbed Hartree-Fock (CPHF) and density functional theory (DFT) computations of the parity-violating energy difference (PVED) between enantiomers for H2O2 and H2S2. Our DFT PVED computations are the first for H2S2 and the first with the new HCTH and OLYP functionals. Like other “second generation” PVED computations, our results are an order of magnitude larger than the original “first generation” uncoupled-perturbed Hartree-Fock computations of Mason and Tranter. We offer an explanation for the dramatically larger size in terms of cancellation of contributions of opposing signs, which also explains the basis set sensitivity of the PVED, and its conformational hypersensitivity (addressed in the following paper). This paper also serves as a review of the different types of “second generation” PVED computations: we set our work in context, comparing our results with those of four other groups, and noting the good agreement between results obtained by very different methods. DFT PVEDs tend to be somewhat inflated compared to the CPHF values, but this is not a problem when only sign and order of magnitude are required. Our results with the new OLYP functional are less inflated than those with other functionals, and OLYP is also more efficient computationally. We therefore conclude that DFT computation offers a promising approach for low-cost extension to larger biosystems, especially polymers. The following two papers extend to terrestrial and extra-terrestrial amino acids respectively, and later work will extend to polymers.
Wireless adiabatic power transfer
Rangelov, A.A.; Suchowski, H.; Silberberg, Y.; Vitanov, N.V.
2011-03-15
Research Highlights: > Efficient and robust mid-range wireless energy transfer between two coils. > The adiabatic energy transfer is analogous to adiabatic passage in quantum optics. > Wireless energy transfer is insensitive to any resonant constraints. > Wireless energy transfer is insensitive to noise in the neighborhood of the coils. - Abstract: We propose a technique for efficient mid-range wireless power transfer between two coils, by adapting the process of adiabatic passage for a coherently driven two-state quantum system to the realm of wireless energy transfer. The proposed technique is shown to be robust to noise, resonant constraints, and other interferences that exist in the neighborhood of the coils.
Adiabatically driven Brownian pumps.
Rozenbaum, Viktor M; Makhnovskii, Yurii A; Shapochkina, Irina V; Sheu, Sheh-Yi; Yang, Dah-Yen; Lin, Sheng Hsien
2013-07-01
We investigate a Brownian pump which, being powered by a flashing ratchet mechanism, produces net particle transport through a membrane. The extension of the Parrondo's approach developed for reversible Brownian motors [Parrondo, Phys. Rev. E 57, 7297 (1998)] to adiabatically driven pumps is given. We demonstrate that the pumping mechanism becomes especially efficient when the time variation of the potential occurs adiabatically fast or adiabatically slow, in perfect analogy with adiabatically driven Brownian motors which exhibit high efficiency [Rozenbaum et al., Phys. Rev. E 85, 041116 (2012)]. At the same time, the efficiency of the pumping mechanism is shown to be less than that of Brownian motors due to fluctuations of the number of particles in the membrane. PMID:23944411
NASA Astrophysics Data System (ADS)
Petousis, Ioannis; Chen, Wei; Hautier, Geoffroy; Graf, Tanja; Schladt, Thomas D.; Persson, Kristin A.; Prinz, Fritz B.
2016-03-01
We demonstrate a high-throughput density functional perturbation theory (DFPT) methodology capable of screening compounds for their dielectric properties. The electronic and ionic dielectric tensors are calculated for 88 compounds, where the eigenvalues of the total dielectric tensors are compared with single crystal and polycrystalline experimental values reported in the literature. We find that GGA/PBE has a smaller mean average deviation from experiments (MARD=16.2 %) when compared to LDA. The prediction accuracy of DFPT is lowest for compounds that exhibit complex structural relaxation effects (e.g., octahedra rotation in perovskites) and/or strong anharmonicity. Despite some discrepancies between DFPT results and reported experimental values, the high-throughput methodology is found to be useful in identifying interesting compounds by ranking. This is demonstrated by the high Spearman correlation factor (ρ =0.92 ). Finally, we demonstrate that DFPT provides a good estimate for the refractive index of a compound without calculating the frequency dependence of the dielectric matrix (MARD=5.7 %).
Verma, Prakash; Autschbach, Jochen
2013-04-01
Different approaches are compared for relativistic density functional theory (DFT) and Hartree-Fock (HF) calculations of electron-nucleus hyperfine coupling (HFC) in molecules with light atoms, in transition metal complexes, and in selected actinide halide complexes with a formal metal 5f(1) configuration. The comparison includes hybrid density functionals with range-separated exchange. Within the variationally stable zeroth-order regular approximation (ZORA) relativistic framework, the HFC is obtained (i) with a linear response (LR) method where spin-orbit (SO) coupling is treated as a linear perturbation, (ii) with a spin-polarized approach closely related to a DFT method for calculating magnetic anisotropy (MA) previously devised by van Wüllen et al. where SO coupling is included variationally, (iii) with a quasi-restricted variational SO method previously devised by van Lenthe, van der Avoird, and Wormer (LWA). The MA and LWA approaches for HFC calculations were implemented in the open-source NWChem quantum chemistry package as part of this study. The methodology extends recent implementations for calculations of electronic g-factors (J. Chem. Theor. Comput.2013, 9, 1052). The impact of electron correlation (DFT vs HF) and DFT delocalization errors, the effects of spin-polarization, the importance of treating spin-orbit coupling beyond first-order, and the magnitude of finite-nucleus effects, are investigated. Similar to calculations of g-factors, the MA approach in conjunction with hybrid functionals performs reasonably well for theoretical predictions of HFC in a wide range of scenarios. PMID:26583544
Stauber, Douglas A.
1985-01-01
A Born approximation is used to linearize the relationship, in the horizontal-wavenumber and frequency domains, between lateral perturbations of modulus and density in a layered half-space and the acoustic wave field observed at the surface when a plane wave is incident from below. The resulting equations can be used to perform a linear inversion of observed acoustic wave fields to obtain lateral perturbations in modulus and density. Since modulus and density effects are separated, gravity observations can be included in the inversion procedure without any assumptions about the relationship between density and acoustic velocity. Tests with synthetic data sets reveal that the inversion method gives useful results when the spatial scales of the inhomogeneities are smaller than several acoustic wavelengths. Refs.
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.
Delgado, Juan C; Selsby, Ronald G
2013-01-01
The ground state configuration of the gas phase cationic dyes pinacyanol chloride and rhodamine B are optimized with HF/6-311 + G(2d,2p) method and basis set. B3PW91/6-311 + G(2df,2p) functional and basis set is used to calculate the Mulliken atom charge distribution, total molecular energy, the dipole moment, the vertical ionization potential, the adiabatic electron affinity and the lowest excited triplet state, the last three as an energy difference between separately calculated open shell and ground states. The triplet and extra electron states are optimized to find the relaxation energy. In the ground state optimization of both dyes the chloride anion migrates to a position near the center of the chromophore. For rhodamine B the benzoidal group turns perpendicular to the chromophore plane. For both dyes, the LUMO is mostly of π character associated with the aromatic part of the molecule containing the chromophore. The highest occupied MOs consist of three almost degenerate eigenvectors involving the chloride anion coordinated with σ electrons in the molecular framework. The fourth highest MO is of π character. For both molecules in the gas phase ionization process the chloride anion loses the significant fraction of electric charge. In electron capture, the excess charge goes mainly on the dye cation. PMID:22891949
Péron, Guillaume; Nicolai, Christopher A; Koons, David N
2012-09-01
1. Most wild animal populations are subjected to many perturbations, including environmental forcing and anthropogenic mortality. How population size varies in response to these perturbations largely depends on life-history strategy and density regulation. 2. Using the mid-continent population of redhead Aythya americana (a North American diving duck), we investigated the population response to two major perturbations, changes in breeding habitat availability (number of ponds in the study landscape) and changes in harvest regulations directed at managing mortality patterns (bag limit). We used three types of data collected at the continental scale (capture-recovery, population surveys and age- and sex ratios in the harvest) and combined them into integrated population models to assess the interaction between density dependence and the effect of perturbations. 3. We observed a two-way interaction between the effects on fecundity of pond number and population density. Hatch-year female survival was also density dependent. Matrix modelling showed that population booms could occur after especially wet years. However, the effect of moderate variation in pond number was generally offset by density dependence the following year. 4. Mortality patterns were insensitive to changes in harvest regulations and, in males at least, insensitive to density dependence as well. We discuss potential mechanisms for compensation of hunting mortality as well as possible confounding factors. 5. Our results illustrate the interplay of density dependence and environmental variation both shaping population dynamics in a harvested species, which could be generalized to help guide the dual management of habitat and harvest regulations. PMID:22433018
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
On dark energy isocurvature perturbation
Liu, Jie; Zhang, Xinmin; Li, Mingzhe E-mail: limz@nju.edu.cn
2011-06-01
Determining the equation of state of dark energy with astronomical observations is crucially important to understand the nature of dark energy. In performing a likelihood analysis of the data, especially of the cosmic microwave background and large scale structure data the dark energy perturbations have to be taken into account both for theoretical consistency and for numerical accuracy. Usually, one assumes in the global fitting analysis that the dark energy perturbations are adiabatic. In this paper, we study the dark energy isocurvature perturbation analytically and discuss its implications for the cosmic microwave background radiation and large scale structure. Furthermore, with the current astronomical observational data and by employing Markov Chain Monte Carlo method, we perform a global analysis of cosmological parameters assuming general initial conditions for the dark energy perturbations. The results show that the dark energy isocurvature perturbations are very weakly constrained and that purely adiabatic initial conditions are consistent with the data.
Casey, D T; Milovich, J L; Smalyuk, V A; Clark, D S; Robey, H F; Pak, A; MacPhee, A G; Baker, K L; Weber, C R; Ma, T; Park, H-S; Döppner, T; Callahan, D A; Haan, S W; Patel, P K; Peterson, J L; Hoover, D; Nikroo, A; Yeamans, C B; Merrill, F E; Volegov, P L; Fittinghoff, D N; Grim, G P; Edwards, M J; Landen, O L; Lafortune, K N; MacGowan, B J; Widmayer, C C; Sayre, D B; Hatarik, R; Bond, E J; Nagel, S R; Benedetti, L R; Izumi, N; Khan, S; Bachmann, B; Spears, B K; Cerjan, C J; Gatu Johnson, M; Frenje, J A
2015-09-01
Hydrodynamic instabilities can cause capsule defects and other perturbations to grow and degrade implosion performance in ignition experiments at the National Ignition Facility (NIF). Here, we show the first experimental demonstration that a strong unsupported first shock in indirect drive implosions at the NIF reduces ablation front instability growth leading to a 3 to 10 times higher yield with fuel ρR>1 g/cm(2). This work shows the importance of ablation front instability growth during the National Ignition Campaign and may provide a path to improved performance at the high compression necessary for ignition. PMID:26382681
Casey, D. T.; Milovich, J. L.; Smalyuk, V. A.; Clark, D. S.; Robey, H. F.; Pak, A.; MacPhee, A. G.; Baker, K. L.; Weber, C. R.; Ma, T.; Park, H. -S.; Döppner, T.; Callahan, D. A.; Haan, S. W.; Patel, P. K.; Peterson, J. L.; Hoover, D.; Nikroo, A.; Yeamans, C. B.; Merrill, F. E.; Volegov, P. L.; Fittinghoff, D. N.; Grim, G. P.; Edwards, M. J.; Landen, O. L.; Lafortune, K. N.; MacGowan, B. J.; Widmayer, C. C.; Sayre, D. B.; Hatarik, R.; Bond, E. J.; Nagel, S. R.; Benedetti, L. R.; Izumi, N.; Khan, S.; Bachmann, B.; Spears, B. K.; Cerjan, C. J.; Gatu Johnson, M.; Frenje, J. A.
2015-09-01
Hydrodynamic instabilities can cause capsule defects and other perturbations to grow and degrade implosion performance in ignition experiments at the National Ignition Facility (NIF). Here, we show the first experimental demonstration that a strong unsupported first shock in indirect drive implosions at the NIF reduces ablation front instability growth leading to a 3 to 10 times higher yield with fuel ρR > 1 g=cm^{2}. This work shows the importance of ablation front instability growth during the National Ignition Campaign and may provide a path to improved performance at the high compression necessary for ignition.
Casey, D. T.; Milovich, J. L.; Smalyuk, V. A.; Clark, D. S.; Robey, H. F.; Pak, A.; MacPhee, A. G.; Baker, K. L.; Weber, C. R.; Ma, T.; et al
2015-09-01
Hydrodynamic instabilities can cause capsule defects and other perturbations to grow and degrade implosion performance in ignition experiments at the National Ignition Facility (NIF). Here, we show the first experimental demonstration that a strong unsupported first shock in indirect drive implosions at the NIF reduces ablation front instability growth leading to a 3 to 10 times higher yield with fuel ρR > 1 g=cm2. This work shows the importance of ablation front instability growth during the National Ignition Campaign and may provide a path to improved performance at the high compression necessary for ignition.
Gauge-invariant perturbation theory for trans-Planckian inflation
Shankaranarayanan, S.; Lubo, Musongela
2005-12-15
The possibility that the scale-invariant inflationary spectrum may be modified due to the hidden assumptions about the Planck scale physics--dubbed as trans-Planckian inflation--has received considerable attention. To mimic the possible trans-Planckian effects, among various models, modified dispersion relations have been popular in the literature. In almost all the earlier analyses, unlike the canonical scalar field driven inflation, the trans-Planckian effects are introduced to the scalar/tensor perturbation equations in an ad hoc manner--without calculating the stress tensor of the cosmological perturbations from the covariant Lagrangian. In this work, we perform the gauge-invariant cosmological perturbations for the single scalar-field inflation with the Jacobson-Corley dispersion relation by computing the fluctuations of all the fields including the unit-timelike vector field which defines a preferred rest frame. We show that: (i) The nonlinear effects introduce corrections only to the perturbed energy density. The corrections to the energy density vanish in the super-Hubble scales. (ii) The scalar perturbations, in general, are not purely adiabatic. (iii) The equation of motion of the Mukhanov-Sasaki variable corresponding to the inflaton field is different from those presumed in the earlier analyses. (iv) The tensor perturbation equation remains unchanged. We perform the classical analysis for the resultant system of equations and also compute the power spectrum of the scalar perturbations in a particular limit. We discuss the implications of our results and compare with the earlier results.
NASA Astrophysics Data System (ADS)
Frolov, Vladimir; Rauch, Jean-Louis; Parrot, Michel; Rapoport, Victor; Shorokhova, Elena
In the report we consider features of plasma density and electro-magnetic field perturbations induced in the Earth’s outer ionosphere by modification of F _{2} region by O-mode powerful HF radio waves radiated by the SURA heating facility. Experiments presented were carried out in 2005 - 2010. Plasma density perturbations were detected at altitudes of about of 700 km by instruments onboard the French DEMETER satellite when it intersected the disturbed magnetic flux tube. The formation of artificial HF-induced plasma density ducts in the outer ionosphere is a central discovery, which was made during the SURA-DEMETER experiments [1,2]. Analysis of experimental data available makes it possible to formulate ducts features and point out the conditions under which the formation of such ducts takes place. 1. Under night conditions ducts are characterized by the increased plasma density in the range from 20% to 80% relatively to its background value. As this takes place, the excess in the plasma ion component is due to O (+) ions dominating at altitudes of about 700 km, whereas the densities of lower mass H (+) and He ({+) } ions typically decrease by a percentage amount that is much more the relative increase in the density of O (+) ions. The duct formation was never observed under daytime conditions. According to [3] the HF-induced ducts were observed by ionosphere pumping in morning and evening hours but in these cases their intensity was no more than a few percentages. 2. The size of the ducts along the satellite orbits is of about 80 - 100 km. It is a reason why such ducts can be observed only if the minimal distance between the satellite and the center of the heated flux tube is less than 50 km. 3. The formation of ducts is observed only if the effective radiated power is more than 40 MW. For the SURA facility, to heat the ionosphere at higher efficiency due to the “magnetic-zenith effect”, the HF beam is often inclined by 12 - 16(°) southward. 4. The pump
Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia
2014-09-10
Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G(0)W(0). Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more. PMID:25135665
NASA Astrophysics Data System (ADS)
Suhai, Sándor
1995-06-01
Structural and energetic aspects of the Peierls-type lattice dimerization were investigated in infinite, one-dimensional, periodic trans-polyacetylene (t-PA) using many-body perturbation theory (MBPT) and density-functional theory (DFT). Cohesive properties and dimerization parameters were obtained first for the classical Coulomb potential in the Hartree approximation and then by gradually turning on exchange and correlation potentials. Besides the nonlocal Hartree-Fock exchange, several other exchange functionals were used incorporating gradient corrections as well. For MBPT, electron correlation was included up to the fourth order of the Mo/ller-Plesset scheme and the behavior of lattice sums for different PT terms was analyzed in detail. The electrostatic part of the infinite lattice sums was computed by the multipole expansion technique. In solving the polymer Kohn-Sham equations, the performance of several different correlation potentials was studied again including different gradient corrections. Atomic basis sets of systematically increasing size, in the range of double-zeta to triple-zeta (TZ) up to TZ (3df,3p2d), were used in all calculations to construct the symmetry-adapted (Bloch-type) polymer wave functions, to fully optimize the structures, and to extrapolate different physical quantities to the limit of a hypothetical infinite basis set. Comparison of the different DFT results with MBPT and with experiments demonstrated the importance of gradient terms both for exchange and correlation. On the other hand, the best DFT functional, using a medium-size atomic basis set, excellently reproduced the cohesive and dimerization energies obtained for infinite t-PA at the MP4/TZ(3d2f,3p2d) level and provided dimerization parameters close to experiment. The experimentally observed lattice spacing of 2.46+/-0.01 Å will be correctly predicted both at the MBPT and DFT levels with 2.48 and 2.44 Å, respectively.
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.
NASA Astrophysics Data System (ADS)
Chaves, C. A. M.; Ussami, N.; Ritsema, J.
2014-12-01
The Parana Magmatic Province (PMP) is one of the largest continental igneous provinces (LIP) on Earth. It is well dated at 133 Ma preceding the opening of the South Atlantic Ocean, but the causative geodynamic processes are still poorly understood. Although a low-velocity anomaly has been imaged by seismic tomography in the northeast region of the PMP and interpreted as a fossil conduct of a mantle plume that is related to the flood basalt eruptions, geochemical data indicate that such magmatism is caused by the melting of a heterogeneous and enriched lithospheric mantle with no deep plume participation. Models of density perturbations in the upper mantle estimated from joint inversion of geoid anomalies and P-wave delay times will offer important constraints on mantle dynamics. A new generation of accurate global geopotential models derived from satellite-missions (e.g. GRACE, GOCE) allows us to estimate density distribution within the Earth from geoid inversion. In order to obtain the residual geoid anomaly related to the density structure of the mantle, we use the EGM2008 model removing estimated geoid perturbations owing to variations in crustal structure (i.e., topographical masses, Moho depth, thickness of sediments and basalts). Using a spherical-Earth approximation, the density model space is represented by a set of tesseroids and the velocity model is parameterized in nodes of a spherical grid where cubic B-splines are utilized as an interpolation function. To constrain the density inversion, we add more than 10,000 manually picked teleseismic P-wave delay times. During the inversion procedure, density and P-wave velocity are linked through the optimization of a constant linear factor correlating density and velocity perturbation. Such optimization will be performed using a probability density function (PDF) [Tarantola, 2005]. We will present the preliminary results of this joint inversion scheme and hypothesize on the geodynamic processes responsible for
Adiabatic cooling of antiprotons.
Gabrielse, G; Kolthammer, W S; McConnell, R; Richerme, P; Kalra, R; Novitski, E; Grzonka, D; Oelert, W; Sefzick, T; Zielinski, M; Fitzakerley, D; George, M C; Hessels, E A; Storry, C H; Weel, M; Müllers, A; Walz, J
2011-02-18
Adiabatic cooling is shown to be a simple and effective method to cool many charged particles in a trap to very low temperatures. Up to 3×10(6) p are cooled to 3.5 K-10(3) times more cold p and a 3 times lower p temperature than previously reported. A second cooling method cools p plasmas via the synchrotron radiation of embedded e(-) (with many fewer e(-) than p in preparation for adiabatic cooling. No p are lost during either process-a significant advantage for rare particles. PMID:21405511
Adiabatic Cooling of Antiprotons
Gabrielse, G.; Kolthammer, W. S.; McConnell, R.; Richerme, P.; Kalra, R.; Novitski, E.; Oelert, W.; Grzonka, D.; Sefzick, T.; Zielinski, M.; Fitzakerley, D.; George, M. C.; Hessels, E. A.; Storry, C. H.; Weel, M.; Muellers, A.; Walz, J.
2011-02-18
Adiabatic cooling is shown to be a simple and effective method to cool many charged particles in a trap to very low temperatures. Up to 3x10{sup 6} p are cooled to 3.5 K--10{sup 3} times more cold p and a 3 times lower p temperature than previously reported. A second cooling method cools p plasmas via the synchrotron radiation of embedded e{sup -} (with many fewer e{sup -} than p) in preparation for adiabatic cooling. No p are lost during either process--a significant advantage for rare particles.
Spontaneous emission in stimulated Raman adiabatic passage
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.
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.
Adiabatically implementing quantum gates
Sun, Jie; Lu, Songfeng Liu, Fang
2014-06-14
We show that, through the approach of quantum adiabatic evolution, all of the usual quantum gates can be implemented efficiently, yielding running time of order O(1). This may be considered as a useful alternative to the standard quantum computing approach, which involves quantum gates transforming quantum states during the computing process.
Entanglement and adiabatic quantum computation
NASA Astrophysics Data System (ADS)
Ahrensmeier, D.
2006-06-01
Adiabatic quantum computation provides an alternative approach to quantum computation using a time-dependent Hamiltonian. The time evolution of entanglement during the adiabatic quantum search algorithm is studied, and its relevance as a resource is discussed.
Shortcuts to adiabaticity from linear response theory.
Acconcia, Thiago V; Bonança, Marcus V S; Deffner, Sebastian
2015-10-01
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. 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. Finally, we propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times. PMID:26565209
Shortcuts to adiabaticity from linear response theory
NASA Astrophysics Data System (ADS)
Acconcia, Thiago V.; Bonança, Marcus V. S.; Deffner, Sebastian
2015-10-01
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. 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. Finally, we propose a degenerate family of protocols, which facilitates shortcuts to adiabaticity for specific and very short driving times.
Shortcuts to adiabaticity from linear response theory
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.
Shortcuts to adiabaticity from linear response theory
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
Adiabatic Quantum Simulation of Quantum Chemistry
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
NASA Astrophysics Data System (ADS)
Saga, Shohei; Ichiki, Kiyotomo; Sugiyama, Naoshi
2015-01-01
Gravitational waves (GWs) are inevitably induced at second order in cosmological perturbations through nonlinear couplings with first-order scalar perturbations, the existence of which is well established by recent cosmological observations. So far, the evolution and the spectrum of the secondary induced GWs have been derived by taking into account the sources of GWs only from the product of first-order scalar perturbations. Here we newly investigate the effects of purely second-order anisotropic stresses of photons and neutrinos on the evolution of GWs, which have been omitted in the literature. We present a full treatment of the Einstein-Boltzmann system to calculate the spectrum of GWs with anisotropic stress based on the formalism of the cosmological perturbation theory. We find that photon anisotropic stress amplifies the amplitude of GWs by about 150%, whereas neutrino anisotropic stress suppresses that of GWs by about 30% on small scales k ≳1.0 h Mpc-1 compared to the case without anisotropic stress. The second-order anisotropic stress does not affect GWs with wave numbers k ≲1.0 h Mpc-1 . The result is in marked contrast with the case at linear order, where the effect of anisotropic stress is damping in the amplitude of GWs.
On the adiabatic stability of solitons and the matching of conservation laws
NASA Astrophysics Data System (ADS)
Lochak, Pierre
1984-08-01
We derive a series of identities which generalize and simplify the results obtained for adiabatically modulated solitons in the case of perturbed specific integrable equations. It stresses the importance of the variational properties of the solitons, which make an adiabatic theorem plausible. A precise conjecture is made and its validity discussed from different points of view.
Van Doorsselaere, Tom; Wardle, Nick; Jansari, Kishan; Verwichte, Erwin; Nakariakov, Valery M.; Del Zanna, Giulio
2011-02-01
We use observations of a slow magnetohydrodynamic wave in the corona to determine for the first time the value of the effective adiabatic index, using data from the Extreme-ultraviolet Imaging Spectrometer on board Hinode. We detect oscillations in the electron density, using the CHIANTI atomic database to perform spectroscopy. From the time-dependent wave signals from multiple spectral lines the relationship between relative density and temperature perturbations is determined, which allows in turn to measure the effective adiabatic index to be {gamma}{sub eff} = 1.10 {+-} 0.02. This confirms that the thermal conduction along the magnetic field is very efficient in the solar corona. The thermal conduction coefficient is measured from the phase lag between the temperature and density, and is shown to be compatible with Spitzer conductivity.
Observational tests of non-adiabatic Chaplygin gas
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.
Adiabatic topological quantum computing
NASA Astrophysics Data System (ADS)
Cesare, Chris; Landahl, Andrew J.; Bacon, Dave; Flammia, Steven T.; Neels, Alice
2015-07-01
Topological quantum computing promises error-resistant quantum computation without active error correction. However, there is a worry that during the process of executing quantum gates by braiding anyons around each other, extra anyonic excitations will be created that will disorder the encoded quantum information. Here, we explore this question in detail by studying adiabatic code deformations on Hamiltonians based on topological codes, notably Kitaev's surface codes and the more recently discovered color codes. We develop protocols that enable universal quantum computing by adiabatic evolution in a way that keeps the energy gap of the system constant with respect to the computation size and introduces only simple local Hamiltonian interactions. This allows one to perform holonomic quantum computing with these topological quantum computing systems. The tools we develop allow one to go beyond numerical simulations and understand these processes analytically.
Study of the spectrum of inflaton perturbations
Glenz, Matthew M.; Parker, Leonard
2009-09-15
We examine the spectrum of inflaton fluctuations resulting from any given long period of exponential inflation. Infrared and ultraviolet divergences in the inflaton dispersion summed over all modes do not appear in our approach. We show how the scale invariance of the perturbation spectrum arises. We also examine the spectrum of scalar perturbations of the metric that is created by the inflaton fluctuations that have left the Hubble sphere during inflation and the spectrum of density perturbations that they produce at reentry after inflation has ended. When the inflaton dispersion spectrum is renormalized during the expansion, we show (for the case of the quadratic inflaton potential) that the density perturbation spectrum approaches a mass-independent limit as the inflaton mass approaches zero, and remains near that limiting value for masses less than about 1/4 of the inflationary Hubble constant. We show that this limiting behavior does not occur if one only makes the Minkowski space subtraction, without the further adiabatic subtractions that involve time derivatives of the expansion scale factor a(t). We also find a parametrized expression for the energy density produced by the change in a(t) as inflation ends. If the end of inflation were sufficiently abrupt, then the temperature corresponding to this energy density could be very significant. We also show that fluctuations of the inflaton field that are present before inflation starts are not dissipated during inflation and could have a significant observational effect today. The mechanism for this is caused by the initial fluctuations through stimulated emission from the vacuum.
Local entanglement generation in the adiabatic regime
Cliche, M.; Veitia, Andrzej
2010-09-15
We study entanglement generation in a pair of qubits interacting with an initially correlated system. Using time-independent perturbation theory and the adiabatic theorem, we show conditions under which the qubits become entangled as the joint system evolves into the ground state of the interacting theory. We then apply these results to the case of qubits interacting with a scalar quantum field. We study three different variations of this setup; a quantum field subject to Dirichlet boundary conditions, a quantum field interacting with a classical potential, and a quantum field that starts in a thermal state.
Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen
2014-09-01
The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation. PMID:26588541
Cosmological perturbations and the Weinberg theorem
NASA Astrophysics Data System (ADS)
Akhshik, Mohammad; Firouzjahi, Hassan; Jazayeri, Sadra
2015-12-01
The celebrated Weinberg theorem in cosmological perturbation theory states that there always exist two adiabatic scalar modes in which the comoving curvature perturbation is conserved on super-horizon scales. In particular, when the perturbations are generated from a single source, such as in single field models of inflation, both of the two allowed independent solutions are adiabatic and conserved on super-horizon scales. There are few known examples in literature which violate this theorem. We revisit the theorem and specify the loopholes in some technical assumptions which violate the theorem in models of non-attractor inflation, fluid inflation, solid inflation and in the model of pseudo conformal universe.
NASA Astrophysics Data System (ADS)
Longcai, Zhang; Jianguo, Kong
2012-07-01
Superconducting maglev vehicle is one of the most promising applications of HTS bulks. In such a system, the HTS bulks are always exposed to AC external magnetic field, which is generated by the inhomogeneous surface magnetic field of the NdFeB guideway. In our previous work, we studied the guidance force decay of the YBCO bulk over the NdFdB guideway used in the High-temperature superconducting maglev vehicle system with the application of the AC external magnetic field, and calculated the guidance force decay as a function of time based on an analytic model. In this paper, we investigated the influence of the critical current density on the guidance force decay of HTS bulk exposed to AC field perturbation in the maglev vehicle system and try to adopt a method to suppress the decay. From the results, it was found that the guidance force decay rate was higher for the bulk with lower critical current density. Therefore, we could suppress the guidance force decay of HTS bulk exposed to AC external magnetic field perturbation in the maglev vehicle system by improving critical current density of the bulk.
Bazzani, A.; Turchetti, G.; Benedetti, C.; Rambaldi, S.; Servizi, G.
2005-06-08
In a high intensity circular accelerator the synchrotron dynamics introduces a slow modulation in the betatronic tune due to the space-charge tune depression. When the transverse motion is non-linear due to the presence of multipolar effects, resonance islands move in the phase space and change their amplitude. This effect introduces the trapping and detrapping phenomenon and a slow diffusion in the phase space. We apply the neo-adiabatic theory to describe this diffusion mechanism that can contribute to halo formation.
Göltl, Florian; Grüneis, Andreas; Bučko, Tomas; Hafner, Jürgen
2012-09-21
The adsorption of small alkane molecules in purely siliceous and protonated chabazite has been investigated at different levels of theory: (i) density-functional (DFT) calculations with a gradient-corrected exchange-correlation functional; DFT calculations using the Perdew-Burke-Ernzerhof (PBE) functional with corrections for the missing dispersion forces in the form of C(6)∕R(6) pair potentials with (ii) C(6) parameters and vdW radii determined by fitting accurate energies for a large molecular data base (PBE-d) or (iii) derived from "atoms in a solid" calculations; (iv) DFT calculations using a non-local correlation functional constructed such as to account for dispersion forces (vdW-DF); (v) calculations based on the random phase approximation (RPA) combined with the adiabatic-coupling fluctuation-dissipation theorem; and (vi) using Hartree-Fock (HF) calculations together with correlation energies calculated using second-order Møller-Plesset (MP2) perturbation theory. All calculations have been performed for periodic models of the zeolite and using a plane-wave basis and the projector-augmented wave method. The simpler and computationally less demanding approaches (i)-(iv) permit a calculation of the forces acting on the atoms using the Hellmann-Feynman theorem and further a structural optimization of the adsorbate-zeolite complex, while RPA and MP2 calculations can be performed only for a fixed geometry optimized at a lower level of theory. The influence of elevated temperature has been taken into account by averaging the adsorption energies calculated for purely siliceous and protonated chabazite, with weighting factors determined by molecular dynamics calculations with dispersion-corrected forces from DFT. Compared to experiment, the RPA underestimates the adsorption energies by about 5 kJ/mol while MP2 leads to an overestimation by about 6 kJ/Mol (averaged over methane, ethane, and propane). The most accurate results have been found for the "hybrid" RPA
NASA Astrophysics Data System (ADS)
Göltl, Florian; Grüneis, Andreas; Bučko, Tomas; Hafner, Jürgen
2012-09-01
The adsorption of small alkane molecules in purely siliceous and protonated chabazite has been investigated at different levels of theory: (i) density-functional (DFT) calculations with a gradient-corrected exchange-correlation functional; DFT calculations using the Perdew-Burke-Ernzerhof (PBE) functional with corrections for the missing dispersion forces in the form of C6/R6 pair potentials with (ii) C6 parameters and vdW radii determined by fitting accurate energies for a large molecular data base (PBE-d) or (iii) derived from "atoms in a solid" calculations; (iv) DFT calculations using a non-local correlation functional constructed such as to account for dispersion forces (vdW-DF); (v) calculations based on the random phase approximation (RPA) combined with the adiabatic-coupling fluctuation-dissipation theorem; and (vi) using Hartree-Fock (HF) calculations together with correlation energies calculated using second-order Møller-Plesset (MP2) perturbation theory. All calculations have been performed for periodic models of the zeolite and using a plane-wave basis and the projector-augmented wave method. The simpler and computationally less demanding approaches (i)-(iv) permit a calculation of the forces acting on the atoms using the Hellmann-Feynman theorem and further a structural optimization of the adsorbate-zeolite complex, while RPA and MP2 calculations can be performed only for a fixed geometry optimized at a lower level of theory. The influence of elevated temperature has been taken into account by averaging the adsorption energies calculated for purely siliceous and protonated chabazite, with weighting factors determined by molecular dynamics calculations with dispersion-corrected forces from DFT. Compared to experiment, the RPA underestimates the adsorption energies by about 5 kJ/mol while MP2 leads to an overestimation by about 6 kJ/Mol (averaged over methane, ethane, and propane). The most accurate results have been found for the "hybrid" RPA-HF method
Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory
NASA Astrophysics Data System (ADS)
Zienau, Jan; Clin, Lucien; Doser, Bernd; Ochsenfeld, Christian
2009-05-01
Based on our linear-scaling atomic orbital second-order Møller-Plesset perturbation theory (AO-MP2) method [J. Chem. Phys. 130, 064107 (2009)], we explore the use of Cholesky-decomposed pseudodensity (CDD) matrices within the Laplace formulation. Numerically significant contributions are preselected using our multipole-based integral estimates as upper bounds to two-electron integrals so that the 1/R6 decay behavior of transformed Coulomb-type products is exploited. In addition, we combine our new CDD-MP2 method with the resolution of the identity (RI) approach. Even though the use of RI results in a method that shows a quadratic scaling behavior in the dominant steps, gains of up to one or two orders of magnitude vs. our original AO-MP2 method are observed in particular for larger basis sets.
Nair, Baiju G; Hagiwara, Kyoji; Ueda, Motoki; Yu, Hsiao-Hua; Tseng, Hsian-Rong; Ito, Yoshihiro
2016-07-27
High aspect ratio nanomaterials, such as vertically aligned silicon nanowire (SiNW) substrates, are three-dimensional topological features for cell manipulations. A high density of SiNWs significantly affects not only cell adhesion and proliferation but also the delivery of biomolecules to cells. Here, we used polydopamine (PD) that simply formed a thin coating on various material surfaces by the action of dopamine as a bioinspired approach. The PD coating not only enhanced cell adhesion, spreading, and growth but also anchored more siRNA by adsorption and provided more surface concentration for substrate-mediated delivery. By comparing plain and SiNW surfaces with the same amount of loaded siRNA, we quantitatively found that PD coating efficiently anchored siRNA on the surface, which knocked down the expression of a specific gene by RNA interference. It was also found that the interaction of SiNWs with the cell membrane perturbed the lateral diffusion of lipids in the membrane by fluorescence recovery after photobleaching. The perturbation was considered to induce the effective delivery of siRNA into cells and allow the cells to carry out their biological functions. These results suggest promising applications of PD-coated, high-density SiNWs as simple, fast, and versatile platforms for transmembrane delivery of biomolecules. PMID:27420034
NASA Astrophysics Data System (ADS)
Lemaire, Joseph; Pierrard, Viviane; Darrouzet, Fabien
2013-04-01
Using European arrays of magnetometers and the cross-phase analysis to determine magnetic field line resonance frequencies, it has been found by Kale et al. (2009) that the plasma mass density within plasmaspheric flux tubes increased rapidly after the SSC of the Hallowe'en 2003 geomagnetic storms. These observations tend to confirm other independent experimental results, suggesting that heavy ion up-flow from the ionosphere is responsible for the observed plasma density increases during main phases of geomagnetic storms. The aim of our contribution is to point out that, during main phases, reversible Betatron effect induced by the increase of the southward Dst-magnetic field component (|Δ Bz|), diminishes slightly the perpendicular kinetic energy (W?) of charged particles spiraling along field lines. Furthermore, due to the conservation of the first adiabatic invariant (μ = Wm/ Bm) the mirror points of all ionospheric ions and electrons are lifted up to higher altitudes i.e. where the mirror point magnetic field (Bm) is slightly smaller. Note that the change of the mirror point altitude is given by: Δ hm = -1/3 (RE + hm) Δ Bm / Bm. It is independent of the ion species and it does not depend of their kinetic energy. The change of kinetic energy is determined by: Δ Wm = Wm Δ Bm / Bm. Both of these equations have been verified numerically by Lemaire et al. (2005; doi: 10.1016/S0273-1177(03)00099-1) using trajectory calculations in a simple time-dependant B-field model: i.e. the Earth's magnetic dipole, plus an increasing southward B-field component: i.e. the Dst magnetic field whose intensity becomes more and more negative during the main phase of magnetic storms. They showed that a variation of Bz (or Dst) by more than - 50 nT significantly increases the mirror point altitudes by more than 100 km which is about equal to scale height of the plasma density in the topside ionosphere where particles are almost collisionless (see Fig. 2 in Lemaire et al., 2005
NASA Astrophysics Data System (ADS)
Landahl, Andrew
2012-10-01
Quantum computers promise to exploit counterintuitive quantum physics principles like superposition, entanglement, and uncertainty to solve problems using fundamentally fewer steps than any conventional computer ever could. The mere possibility of such a device has sharpened our understanding of quantum coherent information, just as lasers did for our understanding of coherent light. The chief obstacle to developing quantum computer technology is decoherence--one of the fastest phenomena in all of physics. In principle, decoherence can be overcome by using clever entangled redundancies in a process called fault-tolerant quantum error correction. However, the quality and scale of technology required to realize this solution appears distant. An exciting alternative is a proposal called ``adiabatic'' quantum computing (AQC), in which adiabatic quantum physics keeps the computer in its lowest-energy configuration throughout its operation, rendering it immune to many decoherence sources. The Adiabatic Quantum Architectures In Ultracold Systems (AQUARIUS) Grand Challenge Project at Sandia seeks to demonstrate this robustness in the laboratory and point a path forward for future hardware development. We are building devices in AQUARIUS that realize the AQC architecture on up to three quantum bits (``qubits'') in two platforms: Cs atoms laser-cooled to below 5 microkelvin and Si quantum dots cryo-cooled to below 100 millikelvin. We are also expanding theoretical frontiers by developing methods for scalable universal AQC in these platforms. We have successfully demonstrated operational qubits in both platforms and have even run modest one-qubit calculations using our Cs device. In the course of reaching our primary proof-of-principle demonstrations, we have developed multiple spinoff technologies including nanofabricated diffractive optical elements that define optical-tweezer trap arrays and atomic-scale Si lithography commensurate with placing individual donor atoms with
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.…
Extended analysis of CMB constraints on non-gaussianity in isocurvature perturbations
Hikage, Chiaki; Kawasaki, Masahiro; Sekiguchi, Toyokazu; Takahashi, Tomo E-mail: kawasaki@icrr.u-tokyo.ac.jp E-mail: tomot@cc.saga-u.ac.jp
2013-03-01
We study CMB constraints on non-Gaussianity from isocurvature perturbations of general types. Specifically, we study CDM/neutrino isocurvature perturbations which are uncorrelated or totally correlated with adiabatic ones. Using the data from the WMAP 7-year observation at V and W bands, we obtained optimal constraints on the nonlinearity parameters of adiabatic and isocurvature perturbations. Our result shows that primordial perturbations are consistent with Gaussian ones at around 2σ level for above mentioned isocurvature modes.
NASA Astrophysics Data System (ADS)
Carstens, J. N.; Bailey, S. M.; Alexander, M. J.; Randall, C. E.
2014-12-01
Nadir images of Rayleigh scattered UV sunlight (265 nm) from the Cloud Imaging and Particle Size (CIPS) instrument on the Aeronomy of Ice in the Mesosphere (AIM) satellite contain many periodic structures. These structures are believed to be the result of Gravity Waves (GW). In this work, we investigate the theoretical impact of GWs on the albedo imagery. We show that GWs are indeed capable of producing the observed structures. The sensitivity to GW perturbations peaks at an altitude of ~50 km with a FWHM of ~15 km with images taken at mid to polar latitudes. For vertical wavelengths greater than 15 km, this corresponds to GWs with momentum fluxes greater than ~0.1-0.01 mPa. Vertical wavelengths less than ~10 km require amplitudes larger than static stability considerations allow, so these GWs are not observable. Observable horizontal wavelengths range from approximately 20 to 300 km. These wavelength ranges correspond to a sensitivity to GWs with an intrinsic period shorter than ~2.5 hrs. Existing satellite GW studies in this altitude region use limb scanners or microwave nadir imagers, which are sensitive to much longer horizontal wavelengths. This tends to limit the sensitivity to longer period waves. Therefore, the addition of CIPS imagery to the existing coverage of GW measurements is complimentary - significantly expanding the spectral coverage of GWs near the stratopause. Short period GWs observed by CIPS carry significantly larger momentum flux than the climatological averages seen for longer period GWs, so important differences may exist. GWs are critically important to middle atmosphere dynamics, and their representation in global climate models is not well constrained by observations.
Lao, Ka Un; Herbert, John M.
2014-01-28
The performance of second-order symmetry-adapted perturbation theory (SAPT) calculations using Kohn-Sham (KS) orbitals is evaluated against benchmark results for intermolecular interactions. Unlike previous studies of this “SAPT(KS)” methodology, the present study uses non-empirically tuned long-range corrected (LRC) functionals for the monomers. The proper v{sub xc} (r)→0 asymptotic limit is achieved by tuning the range separation parameter in order to satisfy the condition that the highest occupied KS energy level equals minus the molecule's ionization energy, for each monomer unit. Tests for He{sub 2}, Ne{sub 2}, and the S22 and S66 data sets reveal that this condition is important for accurate prediction of the non-dispersion components of the energy, although errors in SAPT(KS) dispersion energies remain unacceptably large. In conjunction with an empirical dispersion potential, however, the SAPT(KS) method affords good results for S22 and S66, and also accurately predicts the whole potential energy curve for the sandwich isomer of the benzene dimer. Tuned LRC functionals represent an attractive alternative to other asymptotic corrections that have been employed in density-functional-based SAPT calculations, and we recommend the use of tuned LRC functionals in both coupled-perturbed SAPT(DFT) calculations and dispersion-corrected SAPT(KS) calculations.
Gallina, A; Pollock, C L; Vieira, T M; Ivanova, T D; Garland, S J
2016-02-01
The reliability of triceps surae electromyographic responses to standing perturbations in people after stroke and healthy controls is unknown. High-Density surface Electromyography (HDsEMG) is a technique that records electromyographic signals from different locations over a muscle, overcoming limitations of traditional surface EMG such as between-day differences in electrode placement. In this study, HDsEMG was used to measure responses from soleus (SOL, 18 channels) and medial and lateral gastrocnemius (MG and LG, 16 channels each) in 10 people after stroke and 10 controls. Timing and amplitude of the response were estimated for each channel of the grids. Intraclass Correlation Coefficient (ICC) and normalized Standard Error of Measurement (SEM%) were calculated for each channel individually (single-channel configuration) and on the median of each grid (all-channels configuration). Both timing (single-channel: ICC=0.75-0.96, SEM%=5.0-9.1; all-channels: ICC=0.85-0.97; SEM%=3.5-6.2%) and amplitude (single-channel: ICC=0.60-0.91, SEM%=25.1-46.6; ICC=0.73-0.95, SEM%=19.3-42.1) showed good-to-excellent reliability. HDsEMG provides reliable estimates of EMG responses to perturbations both in individuals after stroke and in healthy controls; reliability was marginally better for the all-channels compared to the single-channel configuration. PMID:27004641
NASA Astrophysics Data System (ADS)
Clark, Stewart J.; Jouanna, Paul; Haines, Julien; Mainprice, David
2011-03-01
We predict the IR-TO, IR-LO and Raman modes (wave numbers and intensities) of magnesite (MgCO3) up to 50 GPa, at T = 0 K, using the density-functional perturbation theory up to a third order perturbation, under the harmonic assumption. The predicted IR-TO and Raman mode wave numbers, the mode Grüneisen parameters and the Davydov splittings are systematically compared with experimental data for all modes up to the pressures of 10-30 GPa and for some modes up to 50 GPa. Existing experiments allow extending this comparison only to IR-LO wave numbers of the E u (ν3) asymmetric-stretch mode, confirming the odd experimental behavior of this mode at very high pressures. Predicted IR-TO, IR-LO and Raman intensities up to 50 GPa are just tabulated, but data are missing for their comparison with precise experiments. However, the generally good agreement observed between numerical results and experimental data, when their comparison is possible, suggests that first-principles methods are a major help to predict the entire spectrum up to very high pressures.
Non-adiabatic and adiabatic transitions at level crossing with decay: two- and three-level systems
NASA Astrophysics Data System (ADS)
Kenmoe, M. B.; Mkam Tchouobiap, S. E.; Kenfack Sadem, C.; Tchapda, A. B.; Fai, L. C.
2015-03-01
We investigate the Landau-Zener (LZ) like dynamics of decaying two- and three-level systems with decay rates {{Γ }1} and {{Γ }2} for levels with minimum and maximum spin projection. Non-adiabatic and adiabatic transition probabilities are calculated from diabatic and adiabatic bases for two- and three-level systems. We extend the familiar two-level model of atoms with decay from the excited state out of the system into the hierarchy of three-level models which can be solved analytically or computationally in a non-perturbative manner. Exact analytical solutions are obtained within the framework of an extended form of the proposed procedure which enables to take into account all possible initial moments rather than large negative time {{t}0}=-∞ as in standard LZ problems. We elucidate the applications of our results from a unified theoretical basis that numerically analyzes the dynamics of a system as probed by experiments.
Stoschus, H.; Schmitz, O.; Frerichs, H.; Unterberg, B.; Abdullaev, S. S.; Clever, M.; Coenen, J. W.; Kruezi, U.; Schega, D.; Samm, U.; Jakubowski, M. W.
2010-06-15
Measurements of the plasma edge electron density n{sub e} and temperature T{sub e} fields during application of a fast rotating, resonant magnetic perturbation (RMP) field show a characteristic modulation of both, n{sub e} and T{sub e} coherent to the rotation frequency of the RMP field. A phase delay PHI between the n{sub e}(t) and T{sub e}(t) waveforms is observed and it is demonstrated that this phase delay PHI is a function of the radius with PHI(r) depending on the relative rotation of the RMP field and the toroidal plasma rotation. This provides for the first time direct experimental evidence for a rotation dependent damping of the external RMP field in the edge layer of a resistive high-temperature plasma which breaks down at low rotation and high resonant field amplitudes.
NASA Astrophysics Data System (ADS)
Loomis, E. N.; Braun, D.; Batha, S. H.; Sorce, C.; Landen, O. L.
2011-09-01
Isolated defects on inertial confinement fusion ignition capsules are a concern as defects taller than a few hundred nanometers are calculated to form jets of high-Z material, which enter the main fuel. If this mixing of high-Z material is not controlled, a serious degradation in thermonuclear burn can occur. A path towards controlling the growth of defects on the outer surface of plastic capsules is currently under development, but requires accurate predictions of defect evolution driven by the early time ablative Richtmyer-Meshkov (RM) effect. The chief uncertainty is the Equation of State (EOS) for polystyrene and its effect on ablative RM. We report on measurements of the growth of isolated defects made at the onset of ablative RM oscillations driven by x-ray ablation to differentiate between EOS models used in design calculations. Experiments at the OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] used on-axis area backlighting radiography and x-ray framing cameras to determine bump areal densities at discrete times. Bumps 12 and 14 μm tall and 33 μm FWHM were found to grow to 2 × their initial areal density by 3 ns after the start of the drive laser pulse. Shock speed measurements established target conditions resulting from the ablation process. The tabular LEOS 5310 [D. Young and E. Corey, J. Appl. Phys. 78, 3748 (1995)] model shows good agreement with measured shock speeds and bump growth whereas the QEOS model [R. More et al., Phys. Fluids 31, 3059 (1988)] over predicts shock speed and under predicts bump growth by 6×. Differences in ablative RM behavior were also found for x-ray ablation compared to laser ablation, which result in an overestimation (or non-existence) of oscillation frequency for x-ray ablation as predicted by theory.
Loomis, E. N.; Batha, S. H.; Braun, D.; Sorce, C.; Landen, O. L.
2011-09-15
Isolated defects on inertial confinement fusion ignition capsules are a concern as defects taller than a few hundred nanometers are calculated to form jets of high-Z material, which enter the main fuel. If this mixing of high-Z material is not controlled, a serious degradation in thermonuclear burn can occur. A path towards controlling the growth of defects on the outer surface of plastic capsules is currently under development, but requires accurate predictions of defect evolution driven by the early time ablative Richtmyer-Meshkov (RM) effect. The chief uncertainty is the Equation of State (EOS) for polystyrene and its effect on ablative RM. We report on measurements of the growth of isolated defects made at the onset of ablative RM oscillations driven by x-ray ablation to differentiate between EOS models used in design calculations. Experiments at the OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] used on-axis area backlighting radiography and x-ray framing cameras to determine bump areal densities at discrete times. Bumps 12 and 14 {mu}m tall and 33 {mu}m FWHM were found to grow to 2 x their initial areal density by 3 ns after the start of the drive laser pulse. Shock speed measurements established target conditions resulting from the ablation process. The tabular LEOS 5310 [D. Young and E. Corey, J. Appl. Phys. 78, 3748 (1995)] model shows good agreement with measured shock speeds and bump growth whereas the QEOS model [R. More et al., Phys. Fluids 31, 3059 (1988)] over predicts shock speed and under predicts bump growth by 6x. Differences in ablative RM behavior were also found for x-ray ablation compared to laser ablation, which result in an overestimation (or non-existence) of oscillation frequency for x-ray ablation as predicted by theory.
Adiabatic heating in impulsive solar flares
NASA Technical Reports Server (NTRS)
Maetzler, C.; Bai, T.; Crannell, C. J.; Frost, K. J.
1978-01-01
A study is made of adiabatic heating in two impulsive solar flares on the basis of dynamic X-ray spectra in the 28-254 keV range, H-alpha, microwave, and meter-wave radio observations. It is found that the X-ray spectra of the events are like those of thermal bremsstrahlung from single-temperature plasmas in the 10-60 keV range if photospheric albedo is taken into account. The temperature-emission correlation indicates adiabatic compression followed by adiabatic expansion and that the electron distribution remains isotropic. H-alpha data suggest compressive energy transfer. The projected areas and volumes of the flares are estimated assuming that X-ray and microwave emissions are produced in a single thermal plasma. Electron densities of about 10 to the 9th/cu cm are found for homogeneous, spherically symmetric sources. It is noted that the strong self-absorption of hot-plasma gyrosynchrotron radiation reveals low magnetic field strengths.
Non-adiabatic effect on quantum pumping
NASA Astrophysics Data System (ADS)
Uchiyama, Chikako
2014-03-01
We study quantum pumping for an anharmonic junction model which interacts with two kinds of bosonic environments. We provide an expression for the quantum pumping under a piecewise modulation of environmental temperatures with including non-adiabatic effect under Markovian approximation. The obtained formula is an extension of the one expressed with the geometrical phase(Phys. Rev. Lett. 104,170601 (2010)). This extension shows that the quantum pumping depends on the initial condition of the anharmonic junction just before the modulation, as well as the characteristic environmental parameters such as interaction strength and cut-off frequencies of spectral density other than the conditions of modulation. We clarify that the pumping current including non-adiabatic effect can be larger than that under the adiabatic condition. This means that we can find the optimal condition of the current by adjusting these parameters. (The article has been submitted as http://arxiv.org/submit/848201 and will be appeared soon.) This work is supported by a Grant-in-Aid for Scientific Research (B) (KAKENHI 25287098).
NASA Astrophysics Data System (ADS)
Mordijck, S.; Smith, S. P.
2014-10-01
We are studying the effect of RMPs on the density pump-out threshold in order to determine whether the transport changes are the result of change in turbulence or rotation. Applying RMPs strongly reduces the core rotation and increases the edge rotation, which reduces the ExB shear thus increasing turbulent transport. The toroidal rotation measurements made at two different toroidal location show no phase lag during rotating n = 2 RMP experiment, which is an indication that there is a strong n = 0 response. This n = 0 response could be the result of MHD effects, or due to changes in turbulence characteristics. New low ν* experiments at lower RMP strength allow us to test, whether this change in the toroidal rotation is the main drive behind the increase in particle transport in low collisionality H-mode plasmas on DIII-D as well as examine what is causing the n = 0 response to the toroidal rotation. Work supported in part by the US DOE under DE-SC0007880 and DE-FC02-04ER54698.
Phung, Quan Manh; Wouters, Sebastian; Pierloot, Kristine
2016-09-13
The complete active space second order perturbation theory (CASPT2) can be extended to larger active spaces by using the density matrix renormalization group (DMRG) as solver. Two variants are commonly used: the costly DMRG-CASPT2 with exact 4-particle reduced density matrix (4-RDM) and the cheaper DMRG-cu(4)-CASPT2 in which the 4-cumulant is discarded. To assess the accuracy and limitations of the latter variant DMRG-cu(4)-CASPT2 we study the spin state energetics of iron porphyrin Fe(P) and its model compound FeL2, a model for the active center of NiFe hydrogenase, and manganese-oxo porphyrin MnO(P)(+); a series of excited states of chromium hexacarbonyl Cr(CO)6; and the interconversion of two Cu2O2(2+) isomers. Our results clearly show that PT2 on top of DMRG is essential in order to obtain quantitative results for transition metal complexes. Good results were obtained with DMRG-cu(4)-CASPT2 as compared to full CASPT2 and DMRG-CASPT2 in calculations with small- and medium-sized active spaces. In calculations with large-sized active spaces (∼30 active orbitals), the performance of DMRG-cu(4)-CASPT2 is less impressive due to the errors originating from both the finite number of renormalized states m and the 4-RDM approximation. PMID:27547847
Stochasticity, superadiabaticity, and the theory of adiabatic invariants and guiding center motion
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.
NASA Astrophysics Data System (ADS)
Colonna, Nicola; de Gironcoli, Stefano
2014-03-01
We have developed an expression for the electronic correlation energy via the Adiabatic Connection Fluctuation-Dissipation Theorem (ACFDT) going beyond the Random-Phase Approximation (RPA) by including exact exchange contribution to the kernel (RPAx). Our derivation is valid and efficient for general systems. It is based on an eigenvalue decomposition of the time dependent response function of the Many Body system in the limit of vanishing coupling constant, evaluated by Density Functional Perturbation Theory. We tested the accuracy of this approximation on the homogeneous electron gas. Within RPAx, the correlation energy of the homogeneous electron gas improves significantly with respect to the RPA results up to densities of the order of rs ~ 10 . However, beyond this value, the RPAx response function becomes pathological and the approximation breaks down. We have also evaluated the dependence of the correlation energy on the spin magnetization of the system. Both RPA an RPAx are in excellent agreement with accurate Quantum Monte Carlo results.
NASA Astrophysics Data System (ADS)
Zocco, D. A.; Krannich, S.; Heid, R.; Bohnen, K.-P.; Wolf, T.; Forrest, T.; Bosak, A.; Weber, F.
2015-12-01
We present a study of the lattice dynamical properties of superconducting SrPt3P (Tc=8.4 K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit coupling results in enhanced electron-phonon coupling (EPC) for the optic phonon modes originating from the Pt(I) atoms, with energies ˜5 meV, resulting in a large EPC constant λ ˜2 . An overall softening of the IXS powder spectra occurs from room to low temperatures, consistent with the predicted strong EPC and with recent specific-heat experiments (2 Δ0/kBTc˜5 ). The low-lying phonon modes observed in the experiments are approximately 1.5 meV harder than the corresponding calculated phonon branch. Moreover, we do not find any changes in the spectra upon entering the superconducting phase. We conclude that current theoretical calculations underestimate the energy of the lowest band of phonon modes indicating that the coupling of these modes to the electronic subsystem is overestimated.
NASA Astrophysics Data System (ADS)
Kim, T.; Sotnikov, V.; Main, D.; Mishin, E.; Gershenzon, N.
2015-11-01
Concept of a parametric antenna in the ionospheric plasma is analyzed. Such antennas are capable of exciting electromagnetic radiation fields, specifically the creation of whistler waves generated at the very low frequency (VLF) range, which are also capable of propagating large distances away from the source region. The mechanism of whistler wave generation is considered a parametric interaction of quasi-electrostatic low oblique resonance (LOR) oscillations excited by conventional loop antenna. The transformation of LOR waves on quasi-neutral density perturbations generated by a dipole antenna gives rise to electromagnetic whistler waves on combination frequencies. In this approach extended plasma volume around a loop antenna represents a parametric antenna. Simulation to demonstrate excitation and spatial structure of VLF waves excited by a loop antenna using a PIC code LSP will be presented as well. Possible applications including the wave-particle interactions to mitigate performance anomalies of Low Earth Orbit (LEO) satellites, active space experiments, communication via VLF waves, and modification experiments in the ionosphere will be discussed.
Verma, Prakash; Autschbach, Jochen
2013-02-12
Different approaches are compared for relativistic calculations of electronic g factors of molecules with light atoms, transition metal complexes, and selected complexes with actinides, using density functional theory (DFT) and Hartree-Fock (HF) theory. The comparison includes functionals with range-separated exchange. Within the variationally stable zeroth-order regular approximation (ZORA) relativistic framework, g factors are obtained with a linear response (LR) method where spin-orbit (SO) coupling is treated as a linear perturbation, a spin-polarized approach based on magnetic anisotropy (MA) that includes SO coupling variationally, and a quasi-restricted variational SO method previously devised by van Lenthe, van der Avoird, and Wormer (LWA). The MA and LWA approaches were implemented in the open-source NWChem quantum chemistry package. We address the importance of electron correlation (DFT vs HF), the importance of including spin polarization in the g tensor methodology, the question of whether the use of nonrelativistic spin density functionals is adequate for such calculations, and the importance of treating spin-orbit coupling beyond first-order. For selected systems, the extent of the DFT delocalization error is explicitly investigated via calculations of the energy as a function of fractional electron numbers. For a test set of small molecules with light main group atoms, all levels of calculation perform adequately as long as there is no energetic near-degeneracy among occupied and unoccupied orbitals. The interplay between different factors determining the accuracy of calculated g factors becomes more complex for systems with heavy elements such as third row transition metals and actinides. The MA approach is shown to perform acceptably well for a wide range of scenarios. PMID:26588748
Adiabatic evolution of plasma equilibrium
Grad, H.; Hu, P. N.; Stevens, D. C.
1975-01-01
A new theory of plasma equilibrium is introduced in which adiabatic constraints are specified. This leads to a mathematically nonstandard structure, as compared to the usual equilibrium theory, in which prescription of pressure and current profiles leads to an elliptic partial differential equation. Topologically complex configurations require further generalization of the concept of adiabaticity to allow irreversible mixing of plasma and magnetic flux among islands. Matching conditions across a boundary layer at the separatrix are obtained from appropriate conservation laws. Applications are made to configurations with planned islands (as in Doublet) and accidental islands (as in Tokamaks). Two-dimensional, axially symmetric, helically symmetric, and closed line equilibria are included. PMID:16578729
Out-of-equilibrium density dynamics of a quenched fermionic system
NASA Astrophysics Data System (ADS)
Porta, S.; Gambetta, F. M.; Cavaliere, F.; Traverso Ziani, N.; Sassetti, M.
2016-08-01
Using a Luttinger liquid theory we investigate the time evolution of the particle density of a one-dimensional fermionic system with open boundaries and subject to a finite duration quench of the interparticle interaction. We provide analytical and asymptotic solutions to the unitary time evolution of the system, showing that both switching on and switching off the quench ramp create light-cone perturbations in the density. The post-quench dynamics is strongly affected by the interference between these two perturbations. In particular, we find that the discrepancy between the time-dependent density and the one obtained by a generalized Gibbs ensemble picture vanishes with an oscillatory behavior as a function of the quench duration, with local minima corresponding to a perfect overlap of the two light-cone perturbations. For adiabatic quenches, we also obtain a similar behavior in the approach of the generalized Gibbs ensemble density towards the one associated with the ground state of the final Hamiltonian.
Axion inflation with cross-correlated axion isocurvature perturbations
NASA Astrophysics Data System (ADS)
Kadota, Kenji; Kobayashi, Tatsuo; Otsuka, Hajime
2016-01-01
We study the inflation scenarios, in the framework of superstring theory, where the inflaton is an axion producing the adiabatic curvature perturbations while there exists another light axion producing the isocurvature perturbations. We discuss how the non-trivial couplings among string axions can generically arise, and calculate the consequent cross-correlations between the adiabatic and isocurvature modes through concrete examples. Based on the Planck analysis on the generally correlated isocurvature perturbations, we show that there is a preference for the existence of the correlated isocurvature modes for the axion monodromy inflation while the natural inflation disfavors such isocurvature modes.
Adiabatic connection at negative coupling strengths
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.
Pressure Oscillations in Adiabatic Compression
ERIC Educational Resources Information Center
Stout, Roland
2011-01-01
After finding Moloney and McGarvey's modified adiabatic compression apparatus, I decided to insert this experiment into my physical chemistry laboratory at the last minute, replacing a problematic experiment. With insufficient time to build the apparatus, we placed a bottle between two thick textbooks and compressed it with a third textbook forced…
Adiabatic dynamics of magnetic vortices
NASA Astrophysics Data System (ADS)
Papanicolaou, N.
1994-03-01
We formulate a reasonably detailed adiabatic conjecture concerning the dynamics of skew deflection of magnetic vortices in a field gradient, which is expected to be valid at sufficiently large values of the winding number. The conjecture is consistent with the golden rule used to describe the dynamics of realistic magnetic bubbles and is verified here numerically within the 2-D isotropic Heisenberg model.
Transitionless driving on adiabatic search algorithm
Oh, Sangchul; Kais, Sabre
2014-12-14
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.
Transitionless driving on adiabatic search algorithm
NASA Astrophysics Data System (ADS)
Oh, Sangchul; Kais, Sabre
2014-12-01
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.
Transitionless driving on adiabatic search algorithm.
Oh, Sangchul; Kais, Sabre
2014-12-14
We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics. PMID:25494733
Studies in Chaotic adiabatic dynamics
Jarzynski, C.
1994-01-01
Chaotic adiabatic dynamics refers to the study of systems exhibiting chaotic evolution under slowly time-dependent equations of motion. In this dissertation the author restricts his attention to Hamiltonian chaotic adiabatic systems. The results presented are organized around a central theme, namely, that the energies of such systems evolve diffusively. He begins with a general analysis, in which he motivates and derives a Fokker-Planck equation governing this process of energy diffusion. He applies this equation to study the {open_quotes}goodness{close_quotes} of an adiabatic invariant associated with chaotic motion. This formalism is then applied to two specific examples. The first is that of a gas of noninteracting point particles inside a hard container that deforms slowly with time. Both the two- and three-dimensional cases are considered. The results are discussed in the context of the Wall Formula for one-body dissipation in nuclear physics, and it is shown that such a gas approaches, asymptotically with time, an exponential velocity distribution. The second example involves the Fermi mechanism for the acceleration of cosmic rays. Explicit evolution equations are obtained for the distribution of cosmic ray energies within this model, and the steady-state energy distribution that arises when this equation is modified to account for the injection and removal of cosmic rays is discussed. Finally, the author re-examines the multiple-time-scale approach as applied to the study of phase space evolution under a chaotic adiabatic Hamiltonian. This leads to a more rigorous derivation of the above-mentioned Fokker-Planck equation, and also to a new term which has relevance to the problem of chaotic adiabatic reaction forces (the forces acting on slow, heavy degrees of freedom due to their coupling to light, fast chaotic degrees).
Non Adiabatic Evolution of Elliptical Galaxies by Dynamical Friction
NASA Astrophysics Data System (ADS)
Arena, S. E.; Bertin, G.; Liseikina, T.; Pegoraro, F.
2007-05-01
Many astrophysical problems, ranging from structure formation in cosmology to dynamics of elliptical galaxies, refer to slow processes of evolution of essentially collisionless self-gravitating systems. In order to determine the relevant quasi-equilibrium configuration at time t from given initial conditions, it is often argued that such slow evolution may be approximated in terms of adiabatic evolution, for the calculation of which efficient semi--analytical techniques are available. Here we focus on the slow process of evolution, induced by dynamical friction of a host stellar system on a minority component of "satellites", to determine to what extent an adiabatic description might be applied. The study is realized by means of N--body simulations of the evolution of the total system (the stellar system plus the minority component), in a controlled numerical environment. In particular, we compare the evolution from initial to final configurations of the system subject to dynamical friction with that of the same system evolved adiabatically (in the absence of dynamical friction). We consider two classes of galaxy models characterized by significantly different density and pressure anisotropy profiles. We demonstrate that, for the examined process, the evolution driven by dynamical friction is significantly different from the adiabatic case, not only quantitatively, but also qualitatively. The two classes of galaxy models considered in this investigation exhibit generally similar trends in evolution, with one exception: concentrated models reach a final total density profile, in the internal region, shallower than the initial one, while galaxy models with a broad core show the opposite behaviour. The evolution of elliptical galaxies induced by dynamical friction is a slow process but it is not adiabatic. The results of our investigation should be taken as a warning against the indiscriminate use of adiabatic growth prescriptions in studies of the structure of
Fromager, Emmanuel; Jensen, Hans Joergen Aa.
2010-02-15
A rigorous combination of multireference perturbation theory and density functional theory (DFT) is proposed. Based on a range separation of the regular two-electron Coulomb interaction, it combines a short-range density functional with second-order strongly contracted n-electron valence state perturbation theory (sc-NEVPT2). The huge advantage of the sc-NEVPT2 approach is that the density is unchanged through first order due to a generalized-Brillouin-type theorem so that the computationally cumbersome self-consistency contribution of short-range DFT to the second-order energy correction equals zero. The method yields very promising results for the van der Waals systems Be{sub 2}, Mg{sub 2}, and Ca{sub 2}; including the multireference system Be{sub 2}.
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.
NASA Astrophysics Data System (ADS)
Ijjas, Anna; Lehners, Jean-Luc; Steinhardt, Paul J.
2014-06-01
We explore a new type of entropic mechanism for generating density perturbations in a contracting phase in which there are two scalar fields but only one has a steep negative potential. This first field dominates the energy density and is the source of the ekpyrotic equation of state. The second field has a negligible potential, but its kinetic energy density is coupled to the first field with a nonlinear sigma-model type interaction. We show that for any ekpyrotic equation of state it is possible to choose the potential and the kinetic coupling such that exactly scale-invariant (or nearly scale-invariant) entropy perturbations are produced. The corresponding background solutions are stable, and the bispectrum of the entropy perturbations vanishes as no non-Gaussianity is produced during the ekpyrotic phase. Hence, the only contribution to non-Gaussianity comes from the nonlinearity of the conversion process during which entropic perturbations are turned into adiabatic ones, resulting in a local non-Gaussianity parameter, fNL˜5.
Microscopic expression for heat in the adiabatic basis.
Polkovnikov, Anatoli
2008-11-28
We derive a microscopic expression for the instantaneous diagonal elements of the density matrix rho(nn)(t) in the adiabatic basis for an arbitrary time-dependent process in a closed Hamiltonian system. If the initial density matrix is stationary (diagonal) then this expression contains only squares of absolute values of matrix elements of the evolution operator, which can be interpreted as transition probabilities. We then derive the microscopic expression for the heat defined as the energy generated due to transitions between instantaneous energy levels. If the initial density matrix is passive [diagonal with rho(nn)(0) monotonically decreasing with energy] then the heat is non-negative in agreement with basic expectations of thermodynamics. Our findings also can be used for systematic expansion of various observables around the adiabatic limit. PMID:19113464
Robust adiabatic sum frequency conversion.
Suchowski, Haim; Prabhudesai, Vaibhav; Oron, Dan; Arie, Ady; Silberberg, Yaron
2009-07-20
We discuss theoretically and demonstrate experimentally the robustness of the adiabatic sum frequency conversion method. This technique, borrowed from an analogous scheme of robust population transfer in atomic physics and nuclear magnetic resonance, enables the achievement of nearly full frequency conversion in a sum frequency generation process for a bandwidth up to two orders of magnitude wider than in conventional conversion schemes. We show that this scheme is robust to variations in the parameters of both the nonlinear crystal and of the incoming light. These include the crystal temperature, the frequency of the incoming field, the pump intensity, the crystal length and the angle of incidence. Also, we show that this extremely broad bandwidth can be tuned to higher or lower central wavelengths by changing either the pump frequency or the crystal temperature. The detailed study of the properties of this converter is done using the Landau-Zener theory dealing with the adiabatic transitions in two level systems. PMID:19654679
Nonadiabatic quantum Liouville and master equations in the adiabatic basis
Jang, Seogjoo
2012-12-14
A compact form of nonadiabatic molecular Hamiltonian in the basis of adiabatic electronic states and nuclear position states is presented. The Hamiltonian, which includes both the first and the second derivative couplings, is Hermitian and thus leads to a standard expression for the quantum Liouville equation for the density operator. With the application of a projection operator technique, a quantum master equation for the diagonal components of the density operator is derived. Under the assumption that nuclear states are much more short ranged compared to electronic states and assuming no singularity, a semi-adiabatic approximation is invoked, which results in expressions for the nonadiabatic molecular Hamiltonian and the quantum Liouville equation that are much more amenable to advanced quantum dynamics calculation. The semi-adiabatic approximation is also applied to a resonance energy transfer system consisting of a donor and an acceptor interacting via Coulomb terms, and explicit detailed expressions for exciton-bath Hamiltonian including all the non-adiabatic terms are derived.
Equations for Adiabatic but Rotational Steady Gas Flows without Friction
NASA Technical Reports Server (NTRS)
Schaefer, Manfred
1947-01-01
This paper makes the following assumptions: 1) The flowing gases are assumed to have uniform energy distribution. ("Isoenergetic gas flows," that is valid with the same constants for the the energy equation entire flow.) This is correct, for example, for gas flows issuing from a region of constant pressure, density, temperature, end velocity. This property is not destroyed by compression shocks because of the universal validity of the energy law. 2) The gas behaves adiabatically, not during the compression shock itself but both before and after the shock. However, the adiabatic equation (p/rho(sup kappa) = C) is not valid for the entire gas flow with the same constant C but rather with an appropriate individual constant for each portion of the gas. For steady flows, this means that the constant C of the adiabatic equation is a function of the stream function. Consequently, a gas that has been flowing "isentropically",that is, with the same constant C of the adiabatic equation throughout (for example, in origination from a region of constant density, temperature, and velocity) no longer remains isentropic after a compression shock if the compression shock is not extremely simple (wedge shaped in a two-dimensional flow or cone shaped in a rotationally symmetrical flow). The solution of nonisentropic flows is therefore an urgent necessity.
NASA Technical Reports Server (NTRS)
Hubbard, W. B.; Dewitt, H. E.
1985-01-01
A model free energy is presented which accurately represents results from 45 high-precision Monte Carlo calculations of the thermodynamics of hydrogen-helium mixtures at pressures of astrophysical and planetophysical interest. The free energy is calculated using free-electron perturbation theory (dielectric function theory), and is an extension of the expression given in an earlier paper in this series. However, it fits the Monte Carlo results more accurately, and is valid for the full range of compositions from pure hydrogen to pure helium. Using the new free energy, the phase diagram of mixtures of liquid metallic hydrogen and helium is calculated and compared with earlier results. Sample results for mixing volumes are also presented, and the new free energy expression is used to compute a theoretical Jovian adiabat and compare the adiabat with results from three-dimensional Thomas-Fermi-Dirac theory. The present theory gives slightly higher densities at pressures of about 10 megabars.
NONLINEAR DYNAMICAL FRICTION OF A CIRCULAR-ORBIT PERTURBER IN A GASEOUS MEDIUM
Kim, Woong-Tae
2010-12-10
We use three-dimensional hydrodynamic simulations to investigate the nonlinear gravitational responses of gas to, and the resulting drag forces on, very massive perturbers moving in circular orbits. This work extends our previous studies that explored the cases of low-mass perturbers in circular orbits and massive perturbers on straight-line trajectories. The background medium is assumed to be non-rotating, adiabatic with index 5/3, and uniform with density {rho}{sub 0} and sound speed a{sub 0}. We model the gravitating perturber using a Plummer sphere with mass M{sub p} and softening radius r{sub s} in a uniform circular motion at speed V{sub p} and orbital radius R{sub p} , and run various models with differing R{identical_to}r{sub s}/R{sub p}, M{identical_to}V{sub p}/a{sub 0}, and B{identical_to}GM{sub p}/(a{sub 0}{sup 2}R{sub p}). A quasi-steady density wake of a supersonic model consists of a hydrostatic envelope surrounding the perturber, an upstream bow shock, and a trailing low-density region. The continuous change in the direction of the perturber motion reduces the detached shock distance compared to the linear-trajectory cases, while the orbit-averaged gravity of the perturber gathers the gas toward the center of the orbit, modifying the background preshock density to {rho}{sub 1}{approx}(1+0.46B{sup 1.1}){rho}{sub 0} depending weakly on M. For sufficiently massive perturbers, the presence of a hydrostatic envelope makes the drag force smaller than the prediction of the linear perturbation theory, resulting in F=4{pi}{rho}{sub 1}(GM{sub p})?2/V{sub p}?2 x (0.7{eta}{sub B}?-?1) for {eta}{sub B{identical_to}}B/(M?2-1)>0.1; the drag force for low-mass perturbers with {eta}{sub B}<0.1 agrees well with the linear prediction. The nonlinear drag force becomes independent of R as long as R<{eta}{sub B}/2, which places an upper limit on the perturber size for accurate evaluation of the drag force in numerical simulations.
Adiabaticity in open quantum systems
NASA Astrophysics Data System (ADS)
Venuti, Lorenzo Campos; Albash, Tameem; Lidar, Daniel A.; Zanardi, Paolo
2016-03-01
We provide a rigorous generalization of the quantum adiabatic theorem for open systems described by a Markovian master equation with time-dependent Liouvillian L (t ) . We focus on the finite system case relevant for adiabatic quantum computing and quantum annealing. Adiabaticity is defined in terms of closeness to the instantaneous steady state. While the general result is conceptually similar to the closed-system case, there are important differences. Namely, a system initialized in the zero-eigenvalue eigenspace of L (t ) will remain in this eigenspace with a deviation that is inversely proportional to the total evolution time T . In the case of a finite number of level crossings, the scaling becomes T-η with an exponent η that we relate to the rate of the gap closing. For master equations that describe relaxation to thermal equilibrium, we show that the evolution time T should be long compared to the corresponding minimum inverse gap squared of L (t ) . Our results are illustrated with several examples.
Bozkaya, Uğur
2014-09-28
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.
NASA Astrophysics Data System (ADS)
Bozkaya, Uǧur
2014-09-01
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.
Bozkaya, Uğur
2014-09-28
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths. PMID:25273413
Entropy perturbations in N-flation
Cai Ronggen; Hu Bin; Piao Yunsong
2009-12-15
In this paper we study the entropy perturbations in N-flation by using the {delta}N formalism. We calculate the entropy corrections to the power spectrum of the overall curvature perturbation P{sub {zeta}}. We obtain an analytic form of the transfer coefficient T{sub RS}{sup 2}, which describes the correlation between the curvature and entropy perturbations, and investigate its behavior numerically. It turns out that the entropy perturbations cannot be neglected in N-flation because the amplitude of entropy components is approximately in the same order as the adiabatic one at the end of inflation T{sub RS}{sup 2}{approx}O(1). The spectral index n{sub S} is calculated and it becomes smaller after the entropy modes are taken into account, i.e., the spectrum becomes redder, compared to the pure adiabatic case. Finally we study the modified consistency relation of N-flation, and find that the tensor-to-scalar ratio (r{approx_equal}0.006) is greatly suppressed by the entropy modes, compared to the pure adiabatic one (r{approx_equal}0.017) at the end of inflation.
High-density carbon ablator ignition path with low-density gas-filled rugby hohlraum
NASA Astrophysics Data System (ADS)
Amendt, Peter; Ho, Darwin D.; Jones, Ogden S.
2015-04-01
A recent low gas-fill density (0.6 mg/cc 4He) cylindrical hohlraum experiment on the National Ignition Facility has shown high laser-coupling efficiency (>96%), reduced phenomenological laser drive corrections, and improved high-density carbon capsule implosion symmetry [Jones et al., Bull. Am. Phys. Soc. 59(15), 66 (2014)]. In this Letter, an ignition design using a large rugby-shaped hohlraum [Amendt et al., Phys. Plasmas 21, 112703 (2014)] for high energetics efficiency and symmetry control with the same low gas-fill density (0.6 mg/cc 4He) is developed as a potentially robust platform for demonstrating thermonuclear burn. The companion high-density carbon capsule for this hohlraum design is driven by an adiabat-shaped [Betti et al., Phys. Plasmas 9, 2277 (2002)] 4-shock drive profile for robust high gain (>10) 1-D ignition performance and large margin to 2-D perturbation growth.
High-density carbon ablator ignition path with low-density gas-filled rugby hohlraum
Amendt, Peter; Ho, Darwin D.; Jones, Ogden S.
2015-04-15
A recent low gas-fill density (0.6 mg/cc {sup 4}He) cylindrical hohlraum experiment on the National Ignition Facility has shown high laser-coupling efficiency (>96%), reduced phenomenological laser drive corrections, and improved high-density carbon capsule implosion symmetry [Jones et al., Bull. Am. Phys. Soc. 59(15), 66 (2014)]. In this Letter, an ignition design using a large rugby-shaped hohlraum [Amendt et al., Phys. Plasmas 21, 112703 (2014)] for high energetics efficiency and symmetry control with the same low gas-fill density (0.6 mg/cc {sup 4}He) is developed as a potentially robust platform for demonstrating thermonuclear burn. The companion high-density carbon capsule for this hohlraum design is driven by an adiabat-shaped [Betti et al., Phys. Plasmas 9, 2277 (2002)] 4-shock drive profile for robust high gain (>10) 1-D ignition performance and large margin to 2-D perturbation growth.
NASA Astrophysics Data System (ADS)
Hopjan, M.; Karlsson, D.; Ydman, S.; Verdozzi, C.; Almbladh, C.-O.
2016-06-01
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.
Hopjan, M; Karlsson, D; Ydman, S; Verdozzi, C; Almbladh, C-O
2016-06-10
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work. PMID:27341247
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.
NASA Astrophysics Data System (ADS)
Wan, Ling; Wang, Tao; Zou, Qingyang
2016-04-01
We investigate the large-time behavior of solutions to an outflow problem of the compressible Navier-Stokes equations for viscous and heat-conducting ideal polytropic gases in the half line. The non-degenerate stationary solution is shown to be asymptotically stable under large initial perturbation with no restriction on the adiabatic exponent, provided that the boundary strength is sufficiently small. The proofs are based on the nonlinear energy estimates and the crucial step is to obtain positive lower and upper bounds of the density and the temperature uniformly in time and space.
Vector perturbations of galaxy number counts
NASA Astrophysics Data System (ADS)
Durrer, Ruth; Tansella, Vittorio
2016-07-01
We derive the contribution to relativistic galaxy number count fluctuations from vector and tensor perturbations within linear perturbation theory. Our result is consistent with the the relativistic corrections to number counts due to scalar perturbation, where the Bardeen potentials are replaced with line-of-sight projection of vector and tensor quantities. Since vector and tensor perturbations do not lead to density fluctuations the standard density term in the number counts is absent. We apply our results to vector perturbations which are induced from scalar perturbations at second order and give numerical estimates of their contributions to the power spectrum of relativistic galaxy number counts.
Cosmological perturbations in unimodular gravity
Gao, Caixia; Brandenberger, Robert H.; Cai, Yifu; Chen, Pisin E-mail: rhb@hep.physics.mcgill.ca E-mail: chen@slac.stanford.edu
2014-09-01
We study cosmological perturbation theory within the framework of unimodular gravity. We show that the Lagrangian constraint on the determinant of the metric required by unimodular gravity leads to an extra constraint on the gauge freedom of the metric perturbations. Although the main equation of motion for the gravitational potential remains the same, the shift variable, which is gauge artifact in General Relativity, cannot be set to zero in unimodular gravity. This non-vanishing shift variable affects the propagation of photons throughout the cosmological evolution and therefore modifies the Sachs-Wolfe relation between the relativistic gravitational potential and the microwave temperature anisotropies. However, for adiabatic fluctuations the difference between the result in General Relativity and unimodular gravity is suppressed on large angular scales. Thus, no strong constraints on the theory can be derived.
Nonlinear perturbations of cosmological scalar fields with non-standard kinetic terms
NASA Astrophysics Data System (ADS)
Renaux-Petel, Sébastien; Tasinato, Gianmassimo
2009-01-01
We adopt a covariant formalism to derive exact evolution equations for nonlinear perturbations, in a universe dominated by two scalar fields. These scalar fields are characterized by non-canonical kinetic terms and an arbitrary field space metric, a situation typically encountered in inflationary models inspired by string theory. We decompose the nonlinear scalar perturbations into adiabatic and entropy modes, generalizing the definition adopted in the linear theory, and we derive the corresponding exact evolution equations. We also obtain a nonlinear generalization of the curvature perturbation on uniform density hypersurfaces, showing that on large scales it is sourced only by the nonlinear version of the entropy perturbation. We then expand these equations to second order in the perturbations, using a coordinate based formalism. Our results are relatively compact and elegant and enable one to identify the new effects coming from the non-canonical structure of the scalar fields Lagrangian. We also explain how to analyze, in our formalism, the interesting scenario of multi-field Dirac-Born-Infeld inflation.
Technology Transfer Automated Retrieval System (TEKTRAN)
Perturbing lignification is possible in multiple and diverse ways. Without obvious growth/development phenotypes, transgenic angiosperms can have lignin levels reduced to half the normal level, can have compositions ranging from very high-guaiacyl/low-syringyl to almost totally syringyl, and can eve...
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.
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.
Marakulin, A. O. Sazhina, O. S.; Sazhin, M. V.
2012-07-15
The possibility of the influence of adiabatic scalar perturbations on the angular velocity spectrum of extragalactic sources is considered. The multipole expansion coefficients of the angular velocity field in terms of vector spherical harmonics are calculated. We show that there is no contribution from adiabatic perturbations to the angular spectrum for a spatially flat Universe at the dusty stage, while there is a contribution only to the electric multiple coefficients at the stage of {Lambda}-term domination. The cases of long-wavelength and short-wavelength perturbations are considered separately. The relationship between the multipole angular velocity spectrum and the primordial scalar perturbation spectrum is discussed.
NASA Astrophysics Data System (ADS)
Marakulin, A. O.; Sazhina, O. S.; Sazhin, M. V.
2012-07-01
The possibility of the influence of adiabatic scalar perturbations on the angular velocity spectrum of extragalactic sources is considered. The multipole expansion coefficients of the angular velocity field in terms of vector spherical harmonics are calculated. We show that there is no contribution from adiabatic perturbations to the angular spectrum for a spatially flat Universe at the dusty stage, while there is a contribution only to the electric multiple coefficients at the stage of Λ-term domination. The cases of long-wavelength and short-wavelength perturbations are considered separately. The relationship between the multipole angular velocity spectrum and the primordial scalar perturbation spectrum is discussed.
Conserved Quantities and Adiabatic Invariants for El-Nabulsi's Fractional Birkhoff System
NASA Astrophysics Data System (ADS)
Song, Chuan-Jing; Zhang, Yi
2015-08-01
Based on El-Nabulsi-Birkhoff fractional equations, Lie symmetry and the Hojman conserved quantity, the Noether conserved quantity deduced indirectly by the Lie symmetry and adiabatic invariants of Lie symmetrical perturbation are studied under the framework of El-Nabulsi's fractional model. Firstly, Lie symmetry and the Hojman conserved quantity are obtained, including the equations of motion of EI-Nabulsi's fractional Birkhoff system, the determining equations of Lie symmetry for the system and the generalization of the Hojman theorem. Secondly, the Noether conserved quantity deduced indirectly by the Lie symmetry is obtained. Thirdly, the adiabatic invariants of Lie symmetrical perturbation for disturbed EI-Nabulsi's fractional Birkhoff system is achieved, including the disturbed El-Nabulsi-Birkhoff fractional equations, the determining equations of Lie symmetrical perturbation and adiabatic invariants for disturbed El-Nabulsi's fractional Birkhoff system. Fourthly, adiabatic invariants and exact invariants under the special ifinitesimal transformations are presented. Finally, the Hojman-Urrutia problem is discussed to illustrate the application of these methods and results.
NASA Astrophysics Data System (ADS)
Lesgourges, J.
2013-08-01
We present a self-contained summary of the theory of linear cosmological perturbations. We emphasize the effect of the six parameters of the minimal cosmological model, first, on the spectrum of Cosmic Microwave Background temperature anisotropies, and second, on the linear matter power spectrum. We briefly review at the end the possible impact of a few non-minimal dark matter and dark energy models.
Improved WKB analysis of cosmological perturbations
Casadio, Roberto; Luzzi, Mattia; Venturi, Giovanni; Finelli, Fabio
2005-02-15
Improved Wentzel-Kramers-Brillouin (WKB)-type approximations are presented in order to study cosmological perturbations beyond the lowest order. Our methods are based on functions which approximate the true perturbation modes over the complete range of the independent (Langer) variable, from subhorizon to superhorizon scales, and include the region near the turning point. We employ both a perturbative Green's function technique and an adiabatic (or semiclassical) expansion (for a linear turning point) in order to compute higher order corrections. Improved general expressions for the WKB scalar and tensor power spectra are derived for both techniques. We test our methods on the benchmark of power-law inflation, which allows comparison with exact expressions for the perturbations, and find that the next-to-leading order adiabatic expansion yields the amplitude of the power spectra with excellent accuracy, whereas the next-to-leading order with the perturbative Green's function method does not improve the leading order result significantly. However, in more general cases, either or both methods may be useful.
Shortcut to adiabatic gate teleportation
NASA Astrophysics Data System (ADS)
Santos, Alan C.; Silva, Raphael D.; Sarandy, Marcelo S.
2016-01-01
We introduce a shortcut to the adiabatic gate teleportation model of quantum computation. More specifically, we determine fast local counterdiabatic Hamiltonians able to implement teleportation as a universal computational primitive. In this scenario, we provide the counterdiabatic driving for arbitrary n -qubit gates, which allows to achieve universality through a variety of gate sets. Remarkably, our approach maps the superadiabatic Hamiltonian HSA for an arbitrary n -qubit gate teleportation into the implementation of a rotated superadiabatic dynamics of an n -qubit state teleportation. This result is rather general, with the speed of the evolution only dictated by the quantum speed limit. In particular, we analyze the energetic cost for different Hamiltonian interpolations in the context of the energy-time complementarity.
Quantum gates with controlled adiabatic evolutions
NASA Astrophysics Data System (ADS)
Hen, Itay
2015-02-01
We introduce a class of quantum adiabatic evolutions that we claim may be interpreted as the equivalents of the unitary gates of the quantum gate model. We argue that these gates form a universal set and may therefore be used as building blocks in the construction of arbitrary "adiabatic circuits," analogously to the manner in which gates are used in the circuit model. One implication of the above construction is that arbitrary classical boolean circuits as well as gate model circuits may be directly translated to adiabatic algorithms with no additional resources or complexities. We show that while these adiabatic algorithms fail to exhibit certain aspects of the inherent fault tolerance of traditional quantum adiabatic algorithms, they may have certain other experimental advantages acting as quantum gates.
On a Nonlinear Model in Adiabatic Evolutions
NASA Astrophysics Data System (ADS)
Sun, Jie; Lu, Song-Feng
2016-08-01
In this paper, we study a kind of nonlinear model of adiabatic evolution in quantum search problem. As will be seen here, for this problem, there always exists a possibility that this nonlinear model can successfully solve the problem, while the linear model can not. Also in the same setting, when the overlap between the initial state and the final stare is sufficiently large, a simple linear adiabatic evolution can achieve O(1) time efficiency, but infinite time complexity for the nonlinear model of adiabatic evolution is needed. This tells us, it is not always a wise choice to use nonlinear interpolations in adiabatic algorithms. Sometimes, simple linear adiabatic evolutions may be sufficient for using. Supported by the National Natural Science Foundation of China under Grant Nos. 61402188 and 61173050. The first author also gratefully acknowledges the support from the China Postdoctoral Science Foundation under Grant No. 2014M552041
Non-Gaussianity from the second-order cosmological perturbation
NASA Astrophysics Data System (ADS)
Lyth, David H.; Rodríguez, Yeinzon
2005-06-01
Several conserved and/or gauge-invariant quantities described as the second-order curvature perturbation have been given in the literature. We revisit various scenarios for the generation of second-order non-Gaussianity in the primordial curvature perturbation ζ, employing for the first time a unified notation and focusing on the normalization fNL of the bispectrum. When ζ first appears a few Hubble times after horizon exit, |fNL| is much less than 1 and is, therefore, negligible. Thereafter ζ (and hence fNL) is conserved as long as the pressure is a unique function of energy density (adiabatic pressure). Nonadiabatic pressure comes presumably only from the effect of fields, other than the one pointing along the inflationary trajectory, which are light during inflation (“light noninflaton fields”). During single-component inflation fNL is constant, but multicomponent inflation might generate |fNL|˜1 or bigger. Preheating can affect fNL only in atypical scenarios where it involves light noninflaton fields. The simplest curvaton scenario typically gives fNL≪-1 or fNL=+5/4. The inhomogeneous reheating scenario can give a wide range of values for fNL. Unless there is a detection, observation can eventually provide a limit |fNL|≲1, at which level it will be crucial to calculate the precise observational limit using second-order theory.
Fluctuations of work in nearly adiabatically driven open quantum systems.
Suomela, S; Salmilehto, J; Savenko, I G; Ala-Nissila, T; Möttönen, M
2015-02-01
We extend the quantum jump method to nearly adiabatically driven open quantum systems in a way that allows for an accurate account of the external driving in the system-environment interaction. Using this framework, we construct the corresponding trajectory-dependent work performed on the system and derive the integral fluctuation theorem and the Jarzynski equality for nearly adiabatic driving. We show that such identities hold as long as the stochastic dynamics and work variable are consistently defined. We numerically study the emerging work statistics for a two-level quantum system and find that the conventional diabatic approximation is unable to capture some prominent features arising from driving, such as the continuity of the probability density of work. Our results reveal the necessity of using accurate expressions for the drive-dressed heat exchange in future experiments probing jump time distributions. PMID:25768477
NASA Astrophysics Data System (ADS)
Thyagarajan, K.; Gupta, Ruchi
2016-08-01
In this paper, we present the optical analogue of stimulated Raman adiabatic passage (STIRAP) technique for three level atomic system in optical fibre geometry. Considering linearly polarized modes of an optical fibre, it is shown that using a pair of superimposed long-period gratings with peak refractive index perturbation varying spatially along the propagation axis, light can be transferred adiabatically from one core mode to another core mode via an intermediate cladding mode which itself does not get appreciably excited; thus acting like a dark mode. We compare the transmission spectrum of superimposed long-period gratings involved in adiabatic transfer with the transmission spectrum of conventional long-period grating. The analogue output is further analysed for its tolerance to the changes in the ambient refractive index, temperature and other fabrication parameters.
Dust-acoustic solitary waves in a four-component adiabatic magnetized dusty plasma
Akhter, T. Mannan, A.; Mamun, A. A.
2013-07-15
Theoretical investigation has been made on obliquely propagating dust-acoustic (DA) solitary waves (SWs) in a magnetized dusty plasma which consists of non-inertial adiabatic electron and ion fluids, and inertial negatively as well as positively charged adiabatic dust fluids. The reductive perturbation method has been employed to derive the Korteweg-de Vries equation which admits a solitary wave solution for small but finite amplitude limit. It has been shown that the basic features (speed, height, thickness, etc.) of such DA solitary structures are significantly modified by adiabaticity of plasma fluids, opposite polarity dust components, and the obliqueness of external magnetic field. The SWs have been changed from compressive to rarefactive depending on the value of {mu} (a parameter determining the number of positive dust present in this plasma model). The present investigation can be of relevance to the electrostatic solitary structures observed in various dusty plasma environments (viz. cometary tails, upper mesosphere, Jupiter's magnetosphere, etc.)
CMB constraint on non-Gaussianity in isocurvature perturbations
Hikage, Chiaki; Kawasaki, Masahiro; Sekiguchi, Toyokazu; Takahashi, Tomo E-mail: kawasaki@icrr.u-tokyo.ac.jp E-mail: tomot@cc.saga-u.ac.jp
2013-07-01
We study the CMB constraints on non-Gaussianity in CDM isocurvature perturbations. Non-Gaussian isocurvature perturbations can be produced in various models at the very early stage of the Universe. Since the isocurvature perturbations little affect the structure formation at late times, CMB is the best probe of isocurvature non-Gaussianity at least in the near future. In this paper, we focus on non-Gaussian curvature and isocurvature perturbations of the local-type, which are uncorrelated and in the form ζ = ζ{sub G}+(3/5)f{sub NL}(ζ{sub G}{sup 2}−(ζ{sub G}{sup 2})) and S = S{sub G}+f{sub NL}{sup (ISO)}(S{sub G}−(S{sub G}{sup 2})), and constrain the non-linearity parameter of isocurvature perturbations, f{sub NL}{sup (ISO)}, as well as the curvature one f{sub NL}. For this purpose, we employ several state-of-art techniques for the analysis of CMB data and simulation. Assuming that isocurvature perturbations are subdominant, we apply our method to the WMAP 7-year data of temperature anisotropy and obtain constraints on a combination α{sup 2}f{sub NL}{sup (ISO)}, where α is the ratio of the power spectrum of isocurvature perturbations to that of the adiabatic ones. When the adiabatic perturbations are assumed to be Gaussian, we obtained a constraint α{sup 2}f{sub NL}{sup (ISO)} = 40±66 assuming the power spectrum of isocurvature perturbations is scale-invariant. When we assume that the adiabatic perturbations can also be non-Gaussian, we obtain f{sub NL} = 38±24 and α{sup 2}f{sub NL}{sup (ISO)} = −8±72. We also discuss implications of our results for the axion CDM isocurvature model.
NASA Astrophysics Data System (ADS)
Park, Young Choon; Krykunov, Mykhaylo; Ziegler, Tom
2015-07-01
In ΔSCF density functional theory studies of a i → a transition one performs separate fully self-consistent field calculations on the ground state configuration (i)n (n = 1,2) and the excited state configuration (i)n - 1a. The excitation energy for the transition i → a is subsequently determined as the Kohn-Sham energy difference ΔEi → a = E[in - 1a] - E[in] between the ground state (i)n and the excited state configuration (i)n - 1a. The ΔSCF scheme has been applied extensively and works well for lower energy excitations provided that they can be represented by a single orbital replacement or transition i → a. However, for excitations of higher energy ΔSCF tends to become numerically unstable with a variational collapse to transitions of lower energy. We demonstrate here a numerically stable ΔSCF scheme for local functionals that is guaranteed not to collapse on excited configurations of lower energy as well as the ground state. The new scheme is based on constricted variational density functional theory in which the canonical ground state orbitals are allowed to relax (R-CV(∞)-DFT). Since it is restricted to a single orbital replacement i → a it is termed SOR-R-CV(∞)-DFT.
Meyers, Joel; Sivanandam, Navin
2011-05-15
We explore the superhorizon generation of large f{sub NL} of the local form in two-field inflation. We calculate the two- and three-point observables in a general class of potentials which allow for an analytic treatment using the {delta}N formalism. Motivated by the conservation of the curvature perturbation outside the horizon in the adiabatic mode and also by the observed adiabaticity of the power spectrum, we follow the evolution of f{sub NL}{sup local} until it is driven into the adiabatic solution by passing through a phase of effectively single-field inflation. We find that, although large f{sub NL}{sup local} may be generated during inflation, such nongaussianities are transitory and will be exponentially damped as the cosmological fluctuations approach adiabaticity.
Adiabatic Compression of Oxygen: Real Fluid Temperatures
NASA Technical Reports Server (NTRS)
Barragan, Michelle; Wilson, D. Bruce; Stoltzfus, Joel M.
2000-01-01
The adiabatic compression of oxygen has been identified as an ignition source for systems operating in enriched oxygen atmospheres. Current practice is to evaluate the temperature rise on compression by treating oxygen as an ideal gas with constant heat capacity. This paper establishes the appropriate thermodynamic analysis for the common occurrence of adiabatic compression of oxygen and in the process defines a satisfactory equation of state (EOS) for oxygen. It uses that EOS to model adiabatic compression as isentropic compression and calculates final temperatures for this system using current approaches for comparison.
Heating and cooling in adiabatic mixing process
NASA Astrophysics Data System (ADS)
Zhou, Jing; Cai, Zi; Zou, Xu-Bo; Guo, Guang-Can
2010-12-01
We study the effect of interaction on the temperature change in the process of adiabatic mixing of two components of Fermi gases using the real-space Bogoliubov-de Gennes method. We find that in the process of adiabatic mixing, the competition between the adiabatic expansion and the attractive interaction makes it possible to cool or heat the system depending on the strength of the interaction and the initial temperature of the system. The changes of the temperature in a bulk system and in a trapped system are investigated.
Multisurface Adiabatic Reactive Molecular Dynamics.
Nagy, Tibor; Yosa Reyes, Juvenal; Meuwly, Markus
2014-04-01
Adiabatic reactive molecular dynamics (ARMD) simulation method is a surface-crossing algorithm for modeling chemical reactions in classical molecular dynamics simulations using empirical force fields. As the ARMD Hamiltonian is time dependent during crossing, it allows only approximate energy conservation. In the current work, the range of applicability of conventional ARMD is explored, and a new multisurface ARMD (MS-ARMD) method is presented, implemented in CHARMM and applied to the vibrationally induced photodissociation of sulfuric acid (H2SO4) in the gas phase. For this, an accurate global potential energy surface (PES) involving 12 H2SO4 and 4 H2O + SO3 force fields fitted to MP2/6-311G++(2d,2p) reference energies is employed. The MS-ARMD simulations conserve total energy and feature both intramolecular H-transfer reactions and water elimination. An analytical treatment of the dynamics in the crossing region finds that conventional ARMD can approximately conserve total energy for limiting cases. In one of them, the reduced mass of the system is large, which often occurs for simulations of solvated biomolecular systems. On the other hand, MS-ARMD is a general approach for modeling chemical reactions including gas-phase, homogeneous, heterogeneous, and enzymatic catalytic reactions while conserving total energy in atomistic simulations. PMID:26580356
Quantum cosmological perturbations of multiple fluids
NASA Astrophysics Data System (ADS)
Peter, Patrick; Pinto-Neto, N.; Vitenti, Sandro D. P.
2016-01-01
The formalism to treat quantization and evolution of cosmological perturbations of multiple fluids is described. We first construct the Lagrangian for both the gravitational and matter parts, providing the necessary relevant variables and momenta leading to the quadratic Hamiltonian describing linear perturbations. The final Hamiltonian is obtained without assuming any equations of motions for the background variables. This general formalism is applied to the special case of two fluids, having in mind the usual radiation and matter mix which made most of our current Universe history. Quantization is achieved using an adiabatic expansion of the basis functions. This allows for an unambiguous definition of a vacuum state up to the given adiabatic order. Using this basis, we show that particle creation is well defined for a suitable choice of vacuum and canonical variables, so that the time evolution of the corresponding quantum fields is unitary. This provides constraints for setting initial conditions for an arbitrary number of fluids and background time evolution. We also show that the common choice of variables for quantization can lead to an ill-defined vacuum definition. Our formalism is not restricted to the case where the coupling between fields is small, but is only required to vary adiabatically with respect to the ultraviolet modes, thus paving the way to consistent descriptions of general models not restricted to single-field (or fluid).
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.
Adiabatic limits on Riemannian Heisenberg manifolds
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.