Quantum analysis applied to thermo field dynamics on dissipative systems
Hashizume, Yoichiro; Okamura, Soichiro; Suzuki, Masuo
2015-03-10
Thermo field dynamics is one of formulations useful to treat statistical mechanics in the scheme of field theory. In the present study, we discuss dissipative thermo field dynamics of quantum damped harmonic oscillators. To treat the effective renormalization of quantum dissipation, we use the Suzuki-Takano approximation. Finally, we derive a dissipative von Neumann equation in the Lindbrad form. In the present treatment, we can easily obtain the initial damping shown previously by Kubo.
Dynamical algebra of observables in dissipative quantum systems
NASA Astrophysics Data System (ADS)
Alipour, Sahar; Chruściński, Dariusz; Facchi, Paolo; Marmo, Giuseppe; Pascazio, Saverio; Rezakhani, Ali T.
2017-02-01
Dynamics and features of quantum systems can be drastically different from classical systems. Dissipation is understood as a general mechanism through which quantum systems may lose part or all of their quantum aspects. Here we discuss a method to analyze behaviors of dissipative quantum systems in an algebraic sense. This method employs a time-dependent product between system’s observables which is induced by the underlying dissipative dynamics. We argue that the long-time limit of the algebra of observables defined with this product yields a contractive algebra which reflects the loss of some quantum features of the dissipative system, and it bears relevant information about irreversibility. We illustrate this result through several examples of dissipation in various Markovian and non-Markovian systems.
Noether's theorem for dissipative quantum dynamical semi-groups
NASA Astrophysics Data System (ADS)
Gough, John E.; Ratiu, Tudor S.; Smolyanov, Oleg G.
2015-02-01
Noether's theorem on constants of the motion of dynamical systems has recently been extended to classical dissipative systems (Markovian semi-groups) by Baez and Fong [J. Math. Phys. 54, 013301 (2013)]. We show how to extend these results to the fully quantum setting of quantum Markov dynamics. For finite-dimensional Hilbert spaces, we construct a mapping from observables to completely positive maps that leads to the natural analogue of their criterion of commutativity with the infinitesimal generator of the Markov dynamics. Using standard results on the relaxation of states to equilibrium under quantum dynamical semi-groups, we are able to characterise the constants of the motion under quantum Markov evolutions in the infinite-dimensional setting under the usual assumption of existence of a stationary strictly positive density matrix. In particular, the Noether constants are identified with the fixed point of the Heisenberg picture semi-group.
Dynamical Lamb effect versus dissipation in superconducting quantum circuits
NASA Astrophysics Data System (ADS)
Zhukov, A. A.; Shapiro, D. S.; Pogosov, W. V.; Lozovik, Yu. E.
2016-06-01
Superconducting circuits provide a new platform for study of nonstationary cavity QED phenomena. An example of such a phenomenon is the dynamical Lamb effect, which is the parametric excitation of an atom due to nonadiabatic modulation of its Lamb shift. This effect was initially introduced for a natural atom in a varying cavity, while we suggest its realization in a superconducting qubit-cavity system with dynamically tunable coupling. In the present paper, we study the interplay between the dynamical Lamb effect and the energy dissipation, which is unavoidable in realistic systems. We find that despite naive expectations, this interplay can lead to unexpected dynamical regimes. One of the most striking results is that photon generation from vacuum can be strongly enhanced due to qubit relaxation, which opens another channel for such a process. We also show that dissipation in the cavity can increase the qubit excited-state population. Our results can be used for experimental observation and investigation of the dynamical Lamb effect and accompanying quantum effects.
Dissipative quantum dynamics in low-energy collisions of complex nuclei
Diaz-Torres, A.; Hinde, D. J.; Dasgupta, M.; Milburn, G. J.; Tostevin, J. A.
2008-12-15
Model calculations that include the effects of irreversible, environmental couplings on top of a coupled-channels dynamical description of the collision of two complex nuclei are presented. The Liouville-von Neumann equation for the time evolution of the density matrix of a dissipative system is solved numerically providing a consistent transition from coherent to decoherent (and dissipative) dynamics during the collision. Quantum decoherence and dissipation are clearly manifested in the model calculations. Energy dissipation, due to the irreversible decay of giant-dipole vibrational states of the colliding nuclei, is shown to result in a hindrance of quantum tunneling and fusion.
Zhang, Yu; Yam, ChiYung; Chen, GuanHua
2015-04-28
A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.
Exact solution for a non-Markovian dissipative quantum dynamics.
Ferialdi, Luca; Bassi, Angelo
2012-04-27
We provide the exact analytic solution of the stochastic Schrödinger equation describing a harmonic oscillator interacting with a non-Markovian and dissipative environment. This result represents an arrival point in the study of non-Markovian dynamics via stochastic differential equations. It is also one of the few exactly solvable models for infinite-dimensional systems. We compute the Green's function; in the case of a free particle and with an exponentially correlated noise, we discuss the evolution of Gaussian wave functions.
Dissipative dynamics in a quantum bistable system: Crossover from weak to strong damping
NASA Astrophysics Data System (ADS)
Magazzà, Luca; Valenti, Davide; Spagnolo, Bernardo; Grifoni, Milena
2015-09-01
The dissipative dynamics of a quantum bistable system coupled to a Ohmic heat bath is investigated beyond the spin-boson approximation. Within the path-integral approach to quantum dissipation, we propose an approximation scheme which exploits the separation of time scales between intra- and interwell (tunneling) dynamics. The resulting generalized master equation for the populations in a space localized basis enables us to investigate a wide range of temperatures and system-environment coupling strengths. A phase diagram in the coupling-temperature space is provided to give a comprehensive account of the different dynamical regimes.
Dissipative dynamics of a quantum two-state system in presence of nonequilibrium quantum noise
NASA Astrophysics Data System (ADS)
Mann, Niklas; Brüggemann, Jochen; Thorwart, Michael
2016-12-01
We analyze the real-time dynamics of a quantum two-state system in the presence of nonequilibrium quantum fluctuations. The latter are generated by a coupling of the two-state system to a single electronic level of a quantum dot which carries a nonequilibrium tunneling current. We restrict to the sequential tunneling regime and calculate the dynamics of the two-state system, of the dot population, and of the nonequilibrium charge current on the basis of a diagrammatic perturbative method valid for a weak tunneling coupling. We find a nontrivial dependence of the relaxation and dephasing rates of the two-state system due to the nonequilibrium fluctuations which is directly linked to the structure of the unperturbed central system. In addition, a Heisenberg-Langevin-equation of motion allows us to calculate the correlation function of the nonequilibrium fluctuations. By this, we obtain a generalized nonequilibrium fluctuation relation which includes the equilibrium fluctuation-dissipation theorem in the limit of zero transport voltage. A straightforward extension to the case with a time-periodic ac voltage is shown.
Dissipation and dynamics in quantum many-body systems
NASA Astrophysics Data System (ADS)
Barker, Brent Wendolyn
In this thesis, we simulate the time evolution of quantum many-body systems and use comparisons to experimental data in order to learn more about the properties of nuclear matter and understand better the dynamical processes in central nuclear collisions. We further advance the development of a nonequilibrium Green's function description of both central nuclear collisions and Bose-Einstein Condensates. First in the thesis, we determine the viscosity of nuclear matter by adjusting the in-medium nucleon-nucleon cross section (IMNNCS) in our BUU transport model until the simulation results match experimental data on nuclear stopping in central nuclear collisions at intermediate energies. Then we use that cross section to calculate the viscosity self-consistently. We also calculate the ratio of shear viscosity to entropy density to determine how close the system is to the proposed universal quantum lower limit. Next, we use the same BUU transport model to isolate the protons emitted early in a central nuclear collision at intermediate energy, as predicted in the model, using a filter on high transverse momentum, and we show the effect on the source function. We predict a recontraction of protons at late times in the central collision of 112Sn+112Sn at 50 MeV/nucleon that results in a resurgence of emission of protons and show how to use the transverse momentum filter and the source function to test this prediction in experiment. Next, we develop an early implementation of a more fully quantal transport model than the BUU equations, with our sights set on solving central nuclear collisions in 3D using nonequilibrium Green's functions. In our 1D, mean field, density matrix model, we demonstrate the initial state preparation and collision of 1D nuclear "slabs". With the aim of reducing the computational cost of the calculation, we show that we can neglect far off-diagonal elements in the density matrix without affecting the one-body observables. Further, we describe a
Noether’s theorem for dissipative quantum dynamical semi-groups
Gough, John E.; Ratiu, Tudor S.; Smolyanov, Oleg G.
2015-02-15
Noether’s theorem on constants of the motion of dynamical systems has recently been extended to classical dissipative systems (Markovian semi-groups) by Baez and Fong [J. Math. Phys. 54, 013301 (2013)]. We show how to extend these results to the fully quantum setting of quantum Markov dynamics. For finite-dimensional Hilbert spaces, we construct a mapping from observables to completely positive maps that leads to the natural analogue of their criterion of commutativity with the infinitesimal generator of the Markov dynamics. Using standard results on the relaxation of states to equilibrium under quantum dynamical semi-groups, we are able to characterise the constants of the motion under quantum Markov evolutions in the infinite-dimensional setting under the usual assumption of existence of a stationary strictly positive density matrix. In particular, the Noether constants are identified with the fixed point of the Heisenberg picture semi-group.
Quantum dissipative Higgs model
Amooghorban, Ehsan Mahdifar, Ali
2015-09-15
By using a continuum of oscillators as a reservoir, we present a classical and a quantum-mechanical treatment for the Higgs model in the presence of dissipation. In this base, a fully canonical approach is used to quantize the damped particle on a spherical surface under the action of a conservative central force, the conjugate momentum is defined and the Hamiltonian is derived. The equations of motion for the canonical variables and in turn the Langevin equation are obtained. It is shown that the dynamics of the dissipative Higgs model is not only determined by a projected susceptibility tensor that obeys the Kramers–Kronig relations and a noise operator but also the curvature of the spherical space. Due to the gnomonic projection from the spherical space to the tangent plane, the projected susceptibility displays anisotropic character in the tangent plane. To illuminate the effect of dissipation on the Higgs model, the transition rate between energy levels of the particle on the sphere is calculated. It is seen that appreciable probabilities for transition are possible only if the transition and reservoir’s oscillators frequencies to be nearly on resonance.
Open Quantum Walks and Dissipative Quantum Computing
NASA Astrophysics Data System (ADS)
Petruccione, Francesco
2012-02-01
Open Quantum Walks (OQWs) have been recently introduced as quantum Markov chains on graphs [S. Attal, F. Petruccione, C. Sabot, and I. Sinayskiy, E-print: http://hal.archives-ouvertes.fr/hal-00581553/fr/]. The formulation of the OQWs is exclusively based upon the non-unitary dynamics induced by the environment. It will be shown that OQWs are a very useful tool for the formulation of dissipative quantum computing and quantum state preparation. In particular, it will be shown how to implement single qubit gates and the CNOT gate as OQWs on fully connected graphs. Also, OQWS make possible the dissipative quantum state preparation of arbitrary single qubit states and of all two-qubit Bell states. Finally, it will be shown how to reformulate efficiently a discrete time version of dissipative quantum computing in the language of OQWs.
Thermal dissipation in quantum turbulence.
Kobayashi, Michikazu; Tsubota, Makoto
2006-10-06
The microscopic mechanism of thermal dissipation in quantum turbulence is numerically studied by solving the coupled system involving the Gross-Pitaevskii equation and the Bogoliubov-de Gennes equation. At low temperatures, the obtained dissipation does not work at scales greater than the vortex core size. However, as the temperature increases, dissipation works at large scales and it affects the vortex dynamics. We successfully obtain the mutual friction coefficients of the vortex in dilute Bose-Einstein condensates dynamics as functions of temperature.
Thermal Dissipation in Quantum Turbulence
Kobayashi, Michikazu; Tsubota, Makoto
2006-10-06
The microscopic mechanism of thermal dissipation in quantum turbulence is numerically studied by solving the coupled system involving the Gross-Pitaevskii equation and the Bogoliubov-de Gennes equation. At low temperatures, the obtained dissipation does not work at scales greater than the vortex core size. However, as the temperature increases, dissipation works at large scales and it affects the vortex dynamics. We successfully obtain the mutual friction coefficients of the vortex in dilute Bose-Einstein condensates dynamics as functions of temperature.
NASA Astrophysics Data System (ADS)
Huo, Pengfei; Coker, David F.
2011-11-01
An approach for treating dissipative, non-adiabatic quantum dynamics in general model systems at finite temperature based on linearizing the density matrix evolution in the forward-backward path difference for the environment degrees of freedom is presented. We demonstrate that the approach can capture both short time coherent quantum dynamics and long time thermal equilibration in an application to excitation energy transfer in a model photosynthetic light harvesting complex. Results are also presented for some nonadiabatic scattering models which indicate that, even though the method is based on a "mean trajectory" like scheme, it can accurately capture electronic population branching through multiple avoided crossing regions and that the approach offers a robust and reliable way to treat quantum dynamical phenomena in a wide range of condensed phase applications.
Quantum Dynamics in Noisy Backgrounds: from Sampling to Dissipation and Fluctuations
NASA Astrophysics Data System (ADS)
Oliveira, O.; Paula, W. de; Frederico, T.; Hussein, M. S.
2016-08-01
We investigate the dynamics of a quantum system coupled linearly to Gaussian white noise using functional methods. By performing the integration over the noisy field in the evolution operator, we get an equivalent non-Hermitian Hamiltonian, which evolves the quantum state with a dissipative dynamics. We also show that if the integration over the noisy field is done for the time evolution of the density matrix, a gain contribution from the fluctuations can be accessed in addition to the loss one from the non-hermitian Hamiltonian dynamics. We illustrate our study by computing analytically the effective non-Hermitian Hamiltonian, which we found to be the complex frequency harmonic oscillator, with a known evolution operator. It leads to space and time localisation, a common feature of noisy quantum systems in general applications.
NASA Astrophysics Data System (ADS)
Gelman, David; Schwartz, Steven D.
2010-05-01
The recently developed quantum-classical method has been applied to the study of dissipative dynamics in multidimensional systems. The method is designed to treat many-body systems consisting of a low dimensional quantum part coupled to a classical bath. Assuming the approximate zeroth order evolution rule, the corrections to the quantum propagator are defined in terms of the total Hamiltonian and the zeroth order propagator. Then the corrections are taken to the classical limit by introducing the frozen Gaussian approximation for the bath degrees of freedom. The evolution of the primary part is governed by the corrected propagator yielding the exact quantum dynamics. The method has been tested on two model systems coupled to a harmonic bath: (i) an anharmonic (Morse) oscillator and (ii) a double-well potential. The simulations have been performed at zero temperature. The results have been compared to the exact quantum simulations using the surrogate Hamiltonian approach.
Jin, Jinshuang; Zheng, Xiao; Yan, YiJing
2008-06-21
A generalized quantum master equation theory that governs the exact, nonperturbative quantum dissipation and quantum transport is formulated in terms of hierarchically coupled equations of motion for an arbitrary electronic system in contact with electrodes under either a stationary or a nonstationary electrochemical potential bias. The theoretical construction starts with the influence functional in path integral, in which the electron creation and annihilation operators are Grassmann variables. Time derivatives on the influence functionals are then performed in a hierarchical manner. Both the multiple-frequency dispersion and the non-Markovian reservoir parametrization schemes are considered for the desired hierarchy construction. The resulting hierarchical equations of motion formalism is in principle exact and applicable to arbitrary electronic systems, including Coulomb interactions, under the influence of arbitrary time-dependent applied bias voltage and external fields. Both the conventional quantum master equation and the real-time diagrammatic formalism of Schon and co-workers can be readily obtained at well defined limits of the present theory. We also show that for a noninteracting electron system, the present hierarchical equations of motion formalism terminates at the second tier exactly, and the Landuer-Buttiker transport current expression is recovered. The present theory renders an exact and numerically tractable tool to evaluate various transient and stationary quantum transport properties of many-electron systems, together with the involving nonperturbative dissipative dynamics.
NASA Astrophysics Data System (ADS)
Jin, Jinshuang; Zheng, Xiao; Yan, Yijing
2008-06-01
A generalized quantum master equation theory that governs the exact, nonperturbative quantum dissipation and quantum transport is formulated in terms of hierarchically coupled equations of motion for an arbitrary electronic system in contact with electrodes under either a stationary or a nonstationary electrochemical potential bias. The theoretical construction starts with the influence functional in path integral, in which the electron creation and annihilation operators are Grassmann variables. Time derivatives on the influence functionals are then performed in a hierarchical manner. Both the multiple-frequency dispersion and the non-Markovian reservoir parametrization schemes are considered for the desired hierarchy construction. The resulting hierarchical equations of motion formalism is in principle exact and applicable to arbitrary electronic systems, including Coulomb interactions, under the influence of arbitrary time-dependent applied bias voltage and external fields. Both the conventional quantum master equation and the real-time diagrammatic formalism of Schön and co-workers can be readily obtained at well defined limits of the present theory. We also show that for a noninteracting electron system, the present hierarchical equations of motion formalism terminates at the second tier exactly, and the Landuer-Büttiker transport current expression is recovered. The present theory renders an exact and numerically tractable tool to evaluate various transient and stationary quantum transport properties of many-electron systems, together with the involving nonperturbative dissipative dynamics.
Dissipative entanglement of quantum spin fluctuations
NASA Astrophysics Data System (ADS)
Benatti, F.; Carollo, F.; Floreanini, R.
2016-06-01
We consider two non-interacting infinite quantum spin chains immersed in a common thermal environment and undergoing a local dissipative dynamics of Lindblad type. We study the time evolution of collective mesoscopic quantum spin fluctuations that, unlike macroscopic mean-field observables, retain a quantum character in the thermodynamical limit. We show that the microscopic dissipative dynamics is able to entangle these mesoscopic degrees of freedom, through a purely mixing mechanism. Further, the behaviour of the dissipatively generated quantum correlations between the two chains is studied as a function of temperature and dissipation strength.
Dissipative quantum molecular dynamics in gases and condensed media: A density matrix treatment
NASA Astrophysics Data System (ADS)
Leathers, Andrew S.
We present a study of dissipative quantum molecular dynamics, covering several different methods of treating the dissipation. We use a reduced density matrix framework, which leads to coupled integro-differential equations in time. We then develop a numerical algorithm for solving these equations. This algorithm is tested by comparing the results to a solved model. The method is then applied to the vibrational relaxation of adsorbates on metal surfaces. We also use this model to test approximations which transform the integro-differential equations into simpler integral equations. Our results compare well to experiment, and demonstrate the need for a full treatment without approximations. This model is then expanded to allow for electronic relaxation, as well as excitation by a light pulse. The electronic relaxation occurs on a different time scale, and is treated differently than the vibrational relaxation. Our method is shown to be general enough to handle both cases. Our next model is light-induced electron transfer in a metal cluster on a semiconductor surface. We consider both direct electronic excitation causing electron transfer, as well as indirect transfer, where there is excitation to an intermediate state which is coupled to the electron transferred state. Our results indicate vibrational relaxation plays a small role in the direct transfer dynamics, but is still important in the indirect case. Finally, we present a mixed quantum-classical study of the effect of initial conditions, with the goal of moving towards a method capable of treating dissipation in both quantum and mixed quatum-classical systems. (Full text of this dissertation may be available via the University of Florida Libraries web site. Please check http://www.uflib.ufl.edu/etd.html)
NASA Astrophysics Data System (ADS)
Barth, A. M.; Vagov, A.; Axt, V. M.
2016-09-01
We present a numerical path-integral iteration scheme for the low-dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modeled pure-dephasing-type coupling to a continuum of harmonic oscillators representing, e.g., phonons, and further environmental interactions inducing non-Hamiltonian dynamics in the inner system represented, e.g., by Lindblad-type dissipation or relaxation. Our formulation of the path-integral method allows for a numerically exact treatment of the coupling to the oscillator modes and moreover is general enough to provide a natural way to include Markovian processes that are sufficiently described by rate equations. We apply this new formalism to a model of a single semiconductor quantum dot which includes the coupling to longitudinal acoustic phonons for two cases: (a) external laser excitation taking into account a phenomenological radiative decay of the excited dot state and (b) a coupling of the quantum dot to a single mode of an optical cavity taking into account cavity photon losses.
Dissipative quantum computing with open quantum walks
Sinayskiy, Ilya; Petruccione, Francesco
2014-12-04
An open quantum walk approach to the implementation of a dissipative quantum computing scheme is presented. The formalism is demonstrated for the example of an open quantum walk implementation of a 3 qubit quantum circuit consisting of 10 gates.
Modular quantum-information processing by dissipation
NASA Astrophysics Data System (ADS)
Marshall, Jeffrey; Campos Venuti, Lorenzo; Zanardi, Paolo
2016-11-01
Dissipation can be used as a resource to control and simulate quantum systems. We discuss a modular model based on fast dissipation capable of performing universal quantum computation, and simulating arbitrary Lindbladian dynamics. The model consists of a network of elementary dissipation-generated modules and it is in principle scalable. In particular, we demonstrate the ability to dissipatively prepare all single-qubit gates, and the controlled-not gate; prerequisites for universal quantum computing. We also show a way to implement a type of quantum memory in a dissipative environment, whereby we can arbitrarily control the loss in both coherence, and concurrence, over the evolution. Moreover, our dissipation-assisted modular construction exhibits a degree of inbuilt robustness to Hamiltonian and, indeed, Lindbladian errors, and as such is of potential practical relevance.
NASA Astrophysics Data System (ADS)
Rubio López, Adrián E.
2017-01-01
The present work contributes to the study of nonequilibrium aspects of the Casimir forces with the introduction of squeezed states in the calculations. Throughout this article two main results can be found, being both strongly correlated. Primarily, the more formal result involves the development of a first-principles canonical quantization formalism to study the quantum vacuum in the presence of different dissipative material bodies in completely general scenarios. For this purpose, we consider a one-dimensional quantum scalar field interacting with the volume elements' degrees of freedom of the material bodies, which are modeled as a set of composite systems consisting of quantum harmonic oscillators interacting with an environment (provided as an infinite set of quantum harmonic oscillators acting as a thermal bath). Solving the full dynamics of the composite system through its Heisenberg equations, we study each contribution to the field operator by employing general properties of the Green function. We deduce the long-time limit of the contributions to the field operator. In agreement with previous works, we show that the expectation values of the components of the energy-momentum tensor present two contributions, one associated to the thermal baths and the other one associated to the field's initial conditions. This allows the direct study of steady situations involving different initial states for the field (keeping arbitrary thermal states for the baths). This leads to the other main result, consisting of computing the Casimir force when the field is initially in thermal or continuum-single-mode squeezed states (the latter being characterized by a given bandwidth and frequency). Time averaging is required for the squeezed case, showing that both results can be given in a unified way, while for the thermal state, all the well-known equilibrium results can be successfully reproduced. Finally, we compared the initial conditions' contribution and the total
NASA Astrophysics Data System (ADS)
Gelman, David; Koch, Christiane P.; Kosloff, Ronnie
2004-07-01
The dissipative quantum dynamics of an anharmonic oscillator coupled to a bath is studied with the purpose of elucidating the differences between the relaxation to a spin bath and to a harmonic bath. Converged results are obtained for the spin bath by the surrogate Hamiltonian approach. This method is based on constructing a system-bath Hamiltonian, with a finite but large number of spin bath modes, that mimics exactly a bath with an infinite number of modes for a finite time interval. Convergence with respect to the number of simultaneous excitations of bath modes can be checked. The results are compared to calculations that include a finite number of harmonic modes carried out by using the multiconfiguration time-dependent Hartree method of Nest and Meyer [J. Chem. Phys. 119, 24 (2003)]. In the weak coupling regime, at zero temperature and for small excitations of the primary system, both methods converge to the Markovian limit. When initially the primary system is significantly excited, the spin bath can saturate restricting the energy acceptance. An interaction term between bath modes that spreads the excitation eliminates the saturation. The loss of phase between two cat states has been analyzed and the results for the spin and harmonic baths are almost identical. For stronger couplings, the dynamics induced by the two types of baths deviate. The accumulation and degree of entanglement between the bath modes have been characterized. Only in the spin bath the dynamics generate entanglement between the bath modes.
Uranga-Piña, L; Tremblay, J C
2014-08-21
We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It
Uranga-Piña, L.; Tremblay, J. C.
2014-08-21
We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It
Trajectory approach to dissipative quantum phase space dynamics: Application to barrier scattering.
Hughes, Keith H; Wyatt, Robert E
2004-03-01
The Caldeira-Leggett master equation, expressed in Lindblad form, has been used in the numerical study of the effect of a thermal environment on the dynamics of the scattering of a wave packet from a repulsive Eckart barrier. The dynamics are studied in terms of phase space trajectories associated with the distribution function, W(q,p,t). The equations of motion for the trajectories include quantum terms that introduce nonlocality into the motion, which imply that an ensemble of correlated trajectories needs to be propagated. However, use of the derivative propagation method (DPM) allows each trajectory to be propagated individually. This is achieved by deriving equations of motion for the partial derivatives of W(q,p,t) that appear in the master equation. The effects of dissipation on the trajectories are studied and results are shown for the transmission probability. On short time scales, decoherence is demonstrated by a swelling of trajectories into momentum space. For a nondissipative system, a comparison is made of the DPM with the "exact" transmission probability calculated from a fixed grid calculation.
Precisely Timing Dissipative Quantum Information Processing
NASA Astrophysics Data System (ADS)
Kastoryano, M. J.; Wolf, M. M.; Eisert, J.
2013-03-01
Dissipative engineering constitutes a framework within which quantum information processing protocols are powered by system-environment interaction rather than by unitary dynamics alone. This framework embraces noise as a resource and, consequently, offers a number of advantages compared to one based on unitary dynamics alone, e.g., that the protocols are typically independent of the initial state of the system. However, the time independent nature of this scheme makes it difficult to imagine precisely timed sequential operations, conditional measurements, or error correction. In this work, we provide a path around these challenges, by introducing basic dissipative gadgets which allow us to precisely initiate, trigger, and time dissipative operations while keeping the system Liouvillian time independent. These gadgets open up novel perspectives for thinking of timed dissipative quantum information processing. As an example, we sketch how measurement-based computation can be simulated in the dissipative setting.
Precisely timing dissipative quantum information processing.
Kastoryano, M J; Wolf, M M; Eisert, J
2013-03-15
Dissipative engineering constitutes a framework within which quantum information processing protocols are powered by system-environment interaction rather than by unitary dynamics alone. This framework embraces noise as a resource and, consequently, offers a number of advantages compared to one based on unitary dynamics alone, e.g., that the protocols are typically independent of the initial state of the system. However, the time independent nature of this scheme makes it difficult to imagine precisely timed sequential operations, conditional measurements, or error correction. In this work, we provide a path around these challenges, by introducing basic dissipative gadgets which allow us to precisely initiate, trigger, and time dissipative operations while keeping the system Liouvillian time independent. These gadgets open up novel perspectives for thinking of timed dissipative quantum information processing. As an example, we sketch how measurement-based computation can be simulated in the dissipative setting.
Natural approach to quantum dissipation
NASA Astrophysics Data System (ADS)
Taj, David; Öttinger, Hans Christian
2015-12-01
The dissipative dynamics of a quantum system weakly coupled to one or several reservoirs is usually described in terms of a Lindblad generator. The popularity of this approach is certainly due to the linear character of the latter. However, while such linearity finds justification from an underlying Hamiltonian evolution in some scaling limit, it does not rely on solid physical motivations at small but finite values of the coupling constants, where the generator is typically used for applications. The Markovian quantum master equations we propose are instead supported by very natural thermodynamic arguments. They themselves arise from Markovian master equations for the system and the environment which preserve factorized states and mean energy and generate entropy at a non-negative rate. The dissipative structure is driven by an entropic map, called modular, which introduces nonlinearity. The generated modular dynamical semigroup (MDS) guarantees for the positivity of the time evolved state the correct steady state properties, the positivity of the entropy production, and a positive Onsager matrix with symmetry relations arising from Green-Kubo formulas. We show that the celebrated Davies Lindblad generator, obtained through the Born and the secular approximations, generates a MDS. In doing so we also provide a nonlinear MDS which is supported by a weak coupling argument and is free from the limitations of the Davies generator.
Dissipative Forces and Quantum Mechanics
ERIC Educational Resources Information Center
Eck, John S.; Thompson, W. J.
1977-01-01
Shows how to include the dissipative forces of classical mechanics in quantum mechanics by the use of non-Hermetian Hamiltonians. The Ehrenfest theorem for such Hamiltonians is derived, and simple examples which show the classical correspondences are given. (MLH)
Dissipative quantum dynamics of fermions in optical lattices: A slave-spin approach
NASA Astrophysics Data System (ADS)
Bernier, Jean-Sébastien; Poletti, Dario; Kollath, Corinna
2014-11-01
We investigate the influence of a Markovian environment on the dynamics of interacting spinful fermionic atoms in a lattice. To explore the physical phenomena occurring at short times, we develop a method based on a slave-spin representation of fermions that is amenable to the investigation of the dynamics of dissipative systems. We apply this approach to two different dissipative couplings that can occur in current experiments: a coupling via the local density and a coupling via the local double occupancy. We complement our study based on this method, with results obtained using the adiabatic elimination technique and with an exact study of a two-site model. We uncover that the decoherence is slowed down by increasing either the interaction strength or the dissipative coupling (the Zeno effect). We also find, for the coupling to the local double occupancy, that the final steady state can sustain single-particle coherence.
Dissipative Landau-Zener quantum dynamics with transversal and longitudinal noise
NASA Astrophysics Data System (ADS)
Javanbakht, S.; Nalbach, P.; Thorwart, M.
2015-05-01
We determine the Landau-Zener transition probability in a dissipative environment including both longitudinal as well as transversal quantum-mechanical noise originating from a single noise source. For this, we use the numerically exact quasiadiabatic path integral, as well as the approximative nonequilibrium Bloch equations. We find that transversal quantum noise in general influences the Landau-Zener probability much more strongly than longitudinal quantum noise does at a given temperature and system-bath coupling strength. In other words, transversal noise contributions become important even when the coupling strength of transversal noise is smaller than that of longitudinal noise. We furthermore reveal that transversal noise renormalizes the tunnel coupling independent of temperature. Finally, we show that the effect of mixed longitudinal and transversal noise originating from a single bath cannot be obtained from an incoherent sum of purely longitudinal and purely transversal noise.
I. Advances in NMR Signal Processing. II. Spin Dynamics in Quantum Dissipative Systems
Lin, Yung-Ya
1998-11-01
Part I. Advances in IVMR Signal Processing. Improvements of sensitivity and resolution are two major objects in the development of NMR/MRI. A signal enhancement method is first presented which recovers signal from noise by a judicious combination of a priordmowledge to define the desired feasible solutions and a set theoretic estimation for restoring signal properties that have been lost due to noise contamination. The effect of noise can be significantly mitigated through the process of iteratively modifying the noisy data set to the smallest degree necessary so that it possesses a collection of prescribed properties and also lies closest to the original data set. A novel detection-estimation scheme is then introduced to analyze noisy and/or strongly damped or truncated FIDs. Based on exponential modeling, the number of signals is detected based on information estimated using the matrix pencil method. theory and the spectral parameters are Part II. Spin Dynamics in body dipole-coupled systems Quantum Dissipative Systems. Spin dynamics in manyconstitutes one of the most fundamental problems in magnetic resonance and condensed-matter physics. Its many-spin nature precludes any rigorous treatment. ‘Therefore, the spin-boson model is adopted to describe in the rotating frame the influence of the dipolar local fields on a tagged spin. Based on the polaronic transform and a perturbation treatment, an analytical solution is derived, suggesting the existence of self-trapped states in the. strong coupling limit, i.e., when transverse local field >> longitudinal local field. Such nonlinear phenomena originate from the joint action of the lattice fluctuations and the reaction field. Under semiclassical approximation, it is found that the main effect of the reaction field is the renormalization of the Hamiltonian of interest. Its direct consequence is the two-step relaxation process: the spin is initially localized in a quasiequilibrium state, which is later detrapped by
The effects of nonextensivity on quantum dissipation
Choi, Jeong Ryeol
2014-01-01
Nonextensive dynamics for a quantum dissipative system described by a Caldirola-Kanai (CK) Hamiltonian is investigated in SU(1,1) coherent states. To see the effects of nonextensivity, the system is generalized through a modification fulfilled by replacing the ordinary exponential function in the standard CK Hamiltonian with the q-exponential function. We confirmed that the time behavior of the system is somewhat different depending on the value of q which is the degree of nonextensivity. The effects of q on quantum energy dissipation and other parameters are illustrated and discussed in detail. PMID:24468727
Quantum Correlation in Circuit QED Under Various Dissipative Modes
NASA Astrophysics Data System (ADS)
Ying-Hua, Ji; Yong-Mei, Liu
2017-02-01
Dynamical evolutions of quantum correlations in circuit quantum electrodynamics (circuit-QED) are investigated under various dissipative modes. The influences of photon number, coupling strength, detuning and relative phase angle on quantum entanglement and quantum discord are compared as well. The results show that quantum discord may be less robust to decoherence than quantum entanglement since the death and revival also appears. Under certain dissipative mode, the decoherence subspace can be formed in circuit-QED due to the cooperative action of vacuum field. Whether a decoherence subspace can be formed not only depends on the form of quantum system but also relates closely to the dissipative mode of environment. One can manipulate decoherence through manipulating the correlation between environments, but the effect depends on the choice of initial quantum states and dissipative modes. Furthermore, we find that proper relative phase of initial quantum state provides one means of suppressing decoherence.
Quantum speed meter based on dissipative coupling
NASA Astrophysics Data System (ADS)
Vyatchanin, Sergey P.; Matsko, Andrey B.
2017-01-01
We consider dissipative coupling Fabry-Perot cavity, i.e. its input mirror transmittance depends on position of probe mass. We show that dissipative coupling provide possibility to realize quantum speed meter by natural way, without additional setup for subtraction of position x(t) and delayed position x(t-τ). Quantum speed meter is a quantum non demolition (QND) meter which allow to overcome Standatd Quantum Limit — we show it for speed meter based on dissipative coupling.
Quantum jumps in Landau-Zener transitions in the dissipative dynamics of a superconducting qubit
NASA Astrophysics Data System (ADS)
Gel'Man, A. I.; Satanin, A. M.
2010-05-01
The effect of noise on the populations of the levels of a qubit in individual experimental implementations has been studied by the quantum trajectory method. A transition to the average dynamics obtained by means of multiple measurements of the state of the qubit is analyzed. The developed method is applied to investigate the effect of noise on the interference pattern appearing in the amplitude spectroscopy of the qubit in a strong variable field owing to Landau-Zener transitions. The effect of the number of repeated measurements and the fluctuation of the phase of a pump pulse on the formation of the response of the qubit to the external field has been analyzed. This makes it possible to interpret recent experiments in terms of individual implementations and averaged dynamics.
Quantum dissipative Rashba spin ratchets.
Smirnov, Sergey; Bercioux, Dario; Grifoni, Milena; Richter, Klaus
2008-06-13
We predict the possibility to generate a finite stationary spin current by applying an unbiased ac driving to a quasi-one-dimensional asymmetric periodic structure with Rashba spin-orbit interaction and strong dissipation. We show that under a finite coupling strength between the orbital degrees of freedom the electron dynamics at low temperatures exhibits a pure spin ratchet behavior, i.e., a finite spin current and the absence of charge transport in spatially asymmetric structures. It is also found that the equilibrium spin currents are not destroyed by the presence of strong dissipation.
Dissipation and tunneling in quantum Hall bilayers.
Jack, Robert L; Lee, Derek K K; Cooper, Nigel R
2004-09-17
We discuss the interplay between transport and intrinsic dissipation in quantum Hall bilayers, within the framework of a simple thought experiment. We compute, for the first time, quantum corrections to the semiclassical dynamics of this system. This allows us to reinterpret tunneling measurements on these systems. We find a strong peak in the zero-temperature tunneling current that arises from the decay of Josephson-like oscillations into incoherent charge fluctuations. In the presence of an in-plane field, resonances in the tunneling current develop an asymmetric line shape.
NASA Astrophysics Data System (ADS)
Giorgi, Gian Luca; Galve, Fernando; Zambrini, Roberta
2015-08-01
Quantum Darwinism explains the emergence of a classical description of objects in terms of the creation of many redundant registers in an environment containing their classical information. This amplification phenomenon, where only classical information reaches the macroscopic observer and through which different observers can agree on the objective existence of such object, has been revived lately for several types of situations, successfully explaining classicality. We explore quantum Darwinism in the setting of an environment made of two level systems which are initially prepared in the ground state of the XX model, which exhibits different phases; we find that the different phases have different abilities to redundantly acquire classical information about the system, the "ferromagnetic phase" being the only one able to complete quantum Darwinism. At the same time we relate this ability to how non-Markovian the system dynamics is, based on the interpretation that non-Markovian dynamics is associated with backflow of information from environment to system, thus spoiling the information transfer needed for Darwinism. Finally, we explore mixing of bath registers by allowing a small interaction among them, finding that this spoils the stored information as previously found in the literature.
NASA Astrophysics Data System (ADS)
Henriet, Loïc; Sclocchi, Antonio; Orth, Peter P.; Le Hur, Karyn
2017-02-01
We analyze the topological deformations of the ground state manifold of a quantum spin-1/2 in a magnetic field H =H (sinθ cosϕ ,sinθ sinϕ ,cosθ ) induced by a coupling to an ohmic quantum dissipative environment at zero temperature. From Bethe ansatz results and a variational approach, we confirm that the Chern number associated with the geometry of the reduced spin ground state manifold is preserved in the delocalized phase for α <1 . We report a divergence of the Berry curvature at αc=1 for magnetic fields aligned along the equator θ =π /2 . This divergence is caused by the complete quenching of the transverse magnetic field by the bath associated with a gap closing that occurs at the localization Kosterlitz-Thouless quantum phase transition in this model. Recent experiments in quantum circuits have engineered nonequilibrium protocols to access topological properties from a measurement of a dynamical Chern number defined via the out-of-equilibrium spin expectation values. Applying a numerically exact stochastic Schrödinger approach we find that, for a fixed field sweep velocity θ (t )=v t , the bath induces a crossover from (quasi)adiabatic to nonadiabatic dynamical behavior when the spin bath coupling α increases. We also investigate the particular regime H /ωc≪v /H ≪1 with large bath cutoff frequency ωc, where the dynamical Chern number vanishes already at α =1 /2 . In this regime, the mapping to an interacting resonance level model enables us to analytically describe the behavior of the dynamical Chern number in the vicinity of α =1 /2 . We further provide an intuitive physical explanation of the bath-induced breakdown of adiabaticity in analogy to the Faraday effect in electromagnetism. We demonstrate that the driving of the spin leads to the production of a large number of bosonic excitations in the bath, which strongly affect the spin dynamics. Finally, we quantify the spin-bath entanglement and formulate an analogy with an effective
Exploring quantum phases by driven dissipation
NASA Astrophysics Data System (ADS)
Lang, Nicolai; Büchler, Hans Peter
2015-07-01
Dephasing and decay are the intrinsic dissipative processes prevalent in any open quantum system and the dominant mechanisms for the loss of coherence and entanglement. This inadvertent effect not only can be overcome but can even be capitalized on in a dissipative quantum simulation by means of tailored couplings between the quantum system and the environment. In this context it has been demonstrated that universal quantum computation can be performed using purely dissipative elements, and furthermore, the efficient preparation of highly entangled states is possible. In this article, we are interested in nonequilibrium phase transitions appearing in purely dissipative systems and the exploration of quantum phases in terms of a dissipative quantum simulation. To elucidate these concepts, we scrutinize exemplarily two paradigmatic models: the transverse-field Ising model and the considerably more complex Z2 lattice gauge theory. We show that the nonequilibrium phase diagrams parallel the quantum phase diagrams of the Hamiltonian "blueprint" theories.
Jin, Jinshuang; Welack, Sven; Luo, JunYan; Li, Xin-Qi; Cui, Ping; Xu, Rui-Xue; Yan, YiJing
2007-04-07
A hierarchical equations of motion formalism for a quantum dissipation system in a grand canonical bath ensemble surrounding is constructed on the basis of the calculus-on-path-integral algorithm, together with the parametrization of arbitrary non-Markovian bath that satisfies fluctuation-dissipation theorem. The influence functionals for both the fermion or boson bath interaction are found to be of the same path integral expression as the canonical bath, assuming they all satisfy the Gaussian statistics. However, the equation of motion formalism is different due to the fluctuation-dissipation theories that are distinct and used explicitly. The implications of the present work to quantum transport through molecular wires and electron transfer in complex molecular systems are discussed.
NASA Astrophysics Data System (ADS)
Grifoni, Milena; Paladino, Elisabetta
2008-11-01
'unconventional' questions were still open on the standard harmonic oscillator and spin baths. This includes both fundamental issues, such as the possibility of estimating the specific heat for a free particle in the presence of dissipation, and the development of methods suitable to dealing with long range correlations at zero temperature and with quantum chaotic environments. We believe that the present focus issue on Quantum Dissipation in Unconventional Environments, although certainly not exhaustive, provides an important open-access resource that presents the latest state of the art of research in this field along its different lines. Focus on Quantum Dissipation in Unconventional Environments Contents Dephasing by electron-electron interactions in a ballistic Mach-Zehnder interferometer Clemens Neuenhahn and Florian Marquardt Quantum frustration of dissipation by a spin bath D D Bhaktavatsala Rao, Heiner Kohler and Fernando Sols A random matrix theory of decoherence T Gorin, C Pineda, H Kohler and T H Seligman Dissipative dynamics of a biased qubit coupled to a harmonic oscillator: analytical results beyond the rotating wave approximation Johannes Hausinger and Milena Grifoni Dissipative dynamics of a two-level system resonantly coupled to a harmonic mode Frederico Brito and Amir O Caldeira Spin correlations in spin blockade Rafael Sánchez, Sigmund Kohler and Gloria Platero Landau-Zener tunnelling in dissipative circuit QED David Zueco, Peter Hänggi and Sigmund Kohler Quantum oscillations in the spin-boson model: reduced visibility from non-Markovian effects and initial entanglement F K Wilhelm Dynamics of dissipative coupled spins: decoherence, relaxation and effects of a spin-boson bath P Nägele, G Campagnano and U Weiss Spin chain model for correlated quantum channels Davide Rossini, Vittorio Giovannetti and Simone Montangero Finite quantum dissipation: the challenge of obtaining specific heat Peter Hänggi, Gert-Ludwig Ingold and Peter Talkner Dynamics of large
Quantum dissipation and CP violation in MINOS
NASA Astrophysics Data System (ADS)
Oliveira, R. L. N.; Guzzo, M. M.; de Holanda, P. C.
2014-03-01
We use the open quantum systems framework to analyze the MINOS data and perform this analysis considering two different dissipative models. In the first model, the dissipative parameter describes the decoherence effect and in the second, the dissipative parameter describes other dissipative effects including decoherence. With the second model it is possible to study CP violation since we consider Majorana neutrinos. The analysis from the muon neutrino and antineutrino beam assigns different values to all the parameters of the models, but is consistent between them. Assuming that neutrinos are equivalent to antineutrinos, the global analysis presents a nonvanishing Majorana CP phase depending on the energetic parametrization of the dissipative parameter.
Thermodynamical properties of Strunz’s quantum dissipative models
Zen, Freddy P.; Sulaiman, A.
2015-09-30
The existence of the negative of specific heat from quantum dissipative theory is investigated. Strunz’s quantum dissipative model will be used in this studies. The thermodynamical properties will be studied starts out from the thermo-dynamic partition function of the dissipative system. The path integral technique is used to calculate the partition function under consideration. The results shows that the specific heat can be negative if the damping parameter more than a half the oscillator frequency and also occur at low temperatures. For damping factor greater than the frequency of harmonic oscillator then specific heat will oscillate at low temperatures and approaching normal conditions at a high temperature.
Quons in a quantum dissipative system
NASA Astrophysics Data System (ADS)
Lee, Taejin
2016-03-01
String theory proves to be an imperative tool to explore the critical behavior of the quantum dissipative system. We discuss the quantum particles moving in two dimensions, in the presence of a uniform magnetic field, subject to a periodic potential and a dissipative force, which are described by the dissipative Wannier-Azbel-Hofstadter (DWAH) model. Using string theory formulation of the model, we find that the elementary excitations of the system at the generic points of the off-critical regions, in the zero temperature limit are quons, which satisfy q-deformed statistics.
Nanoscale thermal imaging of dissipation in quantum systems
NASA Astrophysics Data System (ADS)
Halbertal, D.; Cuppens, J.; Shalom, M. Ben; Embon, L.; Shadmi, N.; Anahory, Y.; Naren, H. R.; Sarkar, J.; Uri, A.; Ronen, Y.; Myasoedov, Y.; Levitov, L. S.; Joselevich, E.; Geim, A. K.; Zeldov, E.
2016-11-01
Energy dissipation is a fundamental process governing the dynamics of physical, chemical and biological systems. It is also one of the main characteristics that distinguish quantum from classical phenomena. In particular, in condensed matter physics, scattering mechanisms, loss of quantum information or breakdown of topological protection are deeply rooted in the intricate details of how and where the dissipation occurs. Yet the microscopic behaviour of a system is usually not formulated in terms of dissipation because energy dissipation is not a readily measurable quantity on the micrometre scale. Although nanoscale thermometry has gained much recent interest, existing thermal imaging methods are not sensitive enough for the study of quantum systems and are also unsuitable for the low-temperature operation that is required. Here we report a nano-thermometer based on a superconducting quantum interference device with a diameter of less than 50 nanometres that resides at the apex of a sharp pipette: it provides scanning cryogenic thermal sensing that is four orders of magnitude more sensitive than previous devices—below 1 μK Hz-1/2. This non-contact, non-invasive thermometry allows thermal imaging of very low intensity, nanoscale energy dissipation down to the fundamental Landauer limit of 40 femtowatts for continuous readout of a single qubit at one gigahertz at 4.2 kelvin. These advances enable the observation of changes in dissipation due to single-electron charging of individual quantum dots in carbon nanotubes. They also reveal a dissipation mechanism attributable to resonant localized states in graphene encapsulated within hexagonal boron nitride, opening the door to direct thermal imaging of nanoscale dissipation processes in quantum matter.
Nanoscale thermal imaging of dissipation in quantum systems.
Halbertal, D; Cuppens, J; Shalom, M Ben; Embon, L; Shadmi, N; Anahory, Y; Naren, H R; Sarkar, J; Uri, A; Ronen, Y; Myasoedov, Y; Levitov, L S; Joselevich, E; Geim, A K; Zeldov, E
2016-11-17
Energy dissipation is a fundamental process governing the dynamics of physical, chemical and biological systems. It is also one of the main characteristics that distinguish quantum from classical phenomena. In particular, in condensed matter physics, scattering mechanisms, loss of quantum information or breakdown of topological protection are deeply rooted in the intricate details of how and where the dissipation occurs. Yet the microscopic behaviour of a system is usually not formulated in terms of dissipation because energy dissipation is not a readily measurable quantity on the micrometre scale. Although nanoscale thermometry has gained much recent interest, existing thermal imaging methods are not sensitive enough for the study of quantum systems and are also unsuitable for the low-temperature operation that is required. Here we report a nano-thermometer based on a superconducting quantum interference device with a diameter of less than 50 nanometres that resides at the apex of a sharp pipette: it provides scanning cryogenic thermal sensing that is four orders of magnitude more sensitive than previous devices-below 1 μK Hz(-1/2). This non-contact, non-invasive thermometry allows thermal imaging of very low intensity, nanoscale energy dissipation down to the fundamental Landauer limit of 40 femtowatts for continuous readout of a single qubit at one gigahertz at 4.2 kelvin. These advances enable the observation of changes in dissipation due to single-electron charging of individual quantum dots in carbon nanotubes. They also reveal a dissipation mechanism attributable to resonant localized states in graphene encapsulated within hexagonal boron nitride, opening the door to direct thermal imaging of nanoscale dissipation processes in quantum matter.
Segale, D; Apkarian, V A
2011-07-14
Spectrally resolved, 4-wave mixing measurements in five resonant colors are used to interrogate vibronic quantum coherences in phase-space. We highlight the principles through measurements on the B-state of I(2) in solid Kr--a prototype of a system strongly coupled to its environment. The measurements consist of preparing a superposition of wavepackets on the B-state and interrogating their cross-coherence as they get entangled with the environment. The study provides direct realizations of fundamental quantum principles in the mechanics of molecular matter, among them: the distinction between quantum and classical coherent dynamics of a system entangled with the environment, coherent dissipation, event-driven decoherence, environment selected coherent states, and non-local mechanics.
Nonlinear effects in quantum dissipation
NASA Astrophysics Data System (ADS)
Vitali, David; Grigolini, Paolo
1990-12-01
region of high temperature to which the nonadiabatic corrections of Kenkre and co-workers apply. Finally, it is shown that a still more accurate approximation would be that of neglecting a reaction field proportional to σx(t)-<σx(t)>s, where <σx(t)>s denotes an average carried out only on the spin space. This approximation leads our approach to coincide with the exact result in the special case where both the spin and its bath are replaced by their classical counterparts. Under this approximation, the detrapping would be equivalent to an Arrhenius-like thermal-activation process. When the coupling strength between the system and its bath is decreased, the spin is expected to depart from the initial trapped state. The dynamics of this process is expected to be influenced by the joint action of the bath fluctuations (both thermal and quantum mechanical) and of the nonlinearity stemming from the reaction field, and ignored by the NBA. This intriguing problem should be the subject of further investigations.
Quantum simulation of dissipative processes without reservoir engineering
Di Candia, R.; Pedernales, J. S.; del Campo, A.; Solano, E.; Casanova, J.
2015-05-29
We present a quantum algorithm to simulate general finite dimensional Lindblad master equations without the requirement of engineering the system-environment interactions. The proposed method is able to simulate both Markovian and non-Markovian quantum dynamics. It consists in the quantum computation of the dissipative corrections to the unitary evolution of the system of interest, via the reconstruction of the response functions associated with the Lindblad operators. Our approach is equally applicable to dynamics generated by effectively non-Hermitian Hamiltonians. We confirm the quality of our method providing specific error bounds that quantify its accuracy.
Quantum Simulation of Dissipative Processes without Reservoir Engineering
Di Candia, R.; Pedernales, J. S.; del Campo, A.; Solano, E.; Casanova, J.
2015-01-01
We present a quantum algorithm to simulate general finite dimensional Lindblad master equations without the requirement of engineering the system-environment interactions. The proposed method is able to simulate both Markovian and non-Markovian quantum dynamics. It consists in the quantum computation of the dissipative corrections to the unitary evolution of the system of interest, via the reconstruction of the response functions associated with the Lindblad operators. Our approach is equally applicable to dynamics generated by effectively non-Hermitian Hamiltonians. We confirm the quality of our method providing specific error bounds that quantify its accuracy. PMID:26024437
Dissipative quantum transport in macromolecules: Effective field theory approach
NASA Astrophysics Data System (ADS)
Schneider, E.; a Beccara, S.; Faccioli, P.
2013-08-01
We introduce an atomistic approach to the dissipative quantum dynamics of charged or neutral excitations propagating through macromolecular systems. Using the Feynman-Vernon path integral formalism, we analytically trace out from the density matrix the atomic coordinates and the heat bath degrees of freedom. This way we obtain an effective field theory which describes the real-time evolution of the quantum excitation and is fully consistent with the fluctuation-dissipation relation. The main advantage of the field-theoretic approach is that it allows us to avoid using the Keldysh contour formulation. This simplification makes it straightforward to derive Feynman diagrams to analytically compute the effects of the interaction of the propagating quantum excitation with the heat bath and with the molecular atomic vibrations. For illustration purposes, we apply this formalism to investigate the loss of quantum coherence of holes propagating through a poly(3-alkylthiophene) polymer.
Nonlinear Ginzburg-Landau-type approach to quantum dissipation.
López, José L
2004-02-01
We formally derive two nonlinear Ginzburg-Landau type models starting from the Wigner-Fokker-Planck system, which rules the evolution of a quantum electron gas interacting with a heat bath in thermodynamic equilibrium. These models mainly consist of a quantum, dissipative O(Planck 3) hydrodynamic/O(Planck 4) stochastic correction to the frictional (Caldeira-Leggett-)Schrödinger equation. The main ingredient lies in the use of the hydrodynamic/stochastic fluid model approach associated with the quantum Fokker-Planck equation and the identification of the associated pressure field. Then, Madelung transformations set the problem in the Schrödinger picture of dissipative quantum mechanics. We also describe the stationary dynamics associated with both systems.
Dynamics of dissipative gravitational collapse
Herrera, L.; Santos, N.O.
2004-10-15
The Misner and Sharp approach to the study of gravitational collapse is extended to the dissipative case in, both, the streaming out and the diffusion approximations. The role of different terms in the dynamical equation are analyzed in detail. The dynamical equation is then coupled to a causal transport equation in the context of Israel-Stewart theory. The decreasing of the inertial mass density of the fluid, by a factor which depends on its internal thermodynamics state, is reobtained, at any time scale. In accordance with the equivalence principle, the same decreasing factor is obtained for the gravitational force term. Prospective applications of this result to some astrophysical scenarios are discussed.
Critical properties of dissipative quantum spin systems in finite dimensions
NASA Astrophysics Data System (ADS)
Takada, Kabuki; Nishimori, Hidetoshi
2016-10-01
We study the critical properties of finite-dimensional dissipative quantum spin systems with uniform ferromagnetic interactions. Starting from the transverse field Ising model coupled to a bath of harmonic oscillators with Ohmic spectral density, we generalize its classical representation to classical spin systems with O(n) symmetry and then take the large-n limit to reduce the system to a spherical model. The exact solution to the resulting spherical model with long-range interactions along the imaginary time axis shows a phase transition with static critical exponents coinciding with those of the conventional short-range spherical model in d+2 dimensions, where d is the spatial dimensionality of the original quantum system. This implies that the dynamical exponent is z = 2. These conclusions are consistent with the results of Monte Carlo simulations and renormalization group calculations for dissipative transverse field Ising and O(n) models in one and two dimensions. The present approach therefore serves as a useful tool for analytically investigating the properties of quantum phase transitions of the dissipative transverse field Ising and other related models. Our method may also offer a platform to study more complex phase transitions in dissipative finite-dimensional quantum spin systems, which have recently received renewed interest in the context of quantum annealing in a noisy environment.
Effects of dissipation on a quantum critical point with disorder.
Hoyos, José A; Kotabage, Chetan; Vojta, Thomas
2007-12-07
We study the effects of dissipation on a disordered quantum phase transition with O(N) order-parameter symmetry by applying a strong-disorder renormalization group to the Landau-Ginzburg-Wilson field theory of the problem. We find that Ohmic dissipation results in a nonperturbative infinite-randomness critical point with unconventional activated dynamical scaling while super-Ohmic damping leads to conventional behavior. We discuss applications to the superconductor-metal transition in nanowires and to the Hertz theory of the itinerant antiferromagnetic transition.
Quantum violation of fluctuation-dissipation theorem
NASA Astrophysics Data System (ADS)
Shimizu, Akira; Fujikura, Kyota
2017-02-01
We study quantum measurements of temporal equilibrium fluctuations in macroscopic quantum systems. It is shown that the fluctuation-dissipation theorem, as a relation between observed quantities, is partially violated in quantum systems, even if measurements are made in an ideal way that emulates classical ideal measurements as closely as possible. This is a genuine quantum effect that survives on a macroscopic scale. We also show that the state realized during measurements of temporal equilibrium fluctuations is a ‘squeezed equilibrium state’, which is macroscopically identical to the pre-measurement equilibrium state but is squeezed by the measurement. It is a time-evolving state, in which macrovariables fluctuate and relax. We also explain some of subtle but important points, careless treatments of which often lead to unphysical results, of the linear response theory.
Influence of super-ohmic dissipation on a disordered quantum critical point.
Vojta, Thomas; Hoyos, José A; Mohan, Priyanka; Narayanan, Rajesh
2011-03-09
We investigate the combined influence of quenched randomness and dissipation on a quantum critical point with O(N) order-parameter symmetry. Utilizing a strong-disorder renormalization group, we determine the critical behavior in one space dimension exactly. For super-ohmic dissipation, we find a Kosterlitz-Thouless type transition with conventional (power-law) dynamical scaling. The dynamical critical exponent depends on the spectral density of the dissipative baths. We also discuss the Griffiths singularities, and we determine observables.
Dissipative time-dependent quantum transport theory.
Zhang, Yu; Yam, Chi Yung; Chen, GuanHua
2013-04-28
A dissipative time-dependent quantum transport theory is developed to treat the transient current through molecular or nanoscopic devices in presence of electron-phonon interaction. The dissipation via phonon is taken into account by introducing a self-energy for the electron-phonon coupling in addition to the self-energy caused by the electrodes. Based on this, a numerical method is proposed. For practical implementation, the lowest order expansion is employed for the weak electron-phonon coupling case and the wide-band limit approximation is adopted for device and electrodes coupling. The corresponding hierarchical equation of motion is derived, which leads to an efficient and accurate time-dependent treatment of inelastic effect on transport for the weak electron-phonon interaction. The resulting method is applied to a one-level model system and a gold wire described by tight-binding model to demonstrate its validity and the importance of electron-phonon interaction for the quantum transport. As it is based on the effective single-electron model, the method can be readily extended to time-dependent density functional theory.
Avoiding dissipation in a system of three quantum harmonic oscillators
NASA Astrophysics Data System (ADS)
Manzano, Gonzalo; Galve, Fernando; Zambrini, Roberta
2013-03-01
We analyze the symmetries in an open quantum system composed by three coupled and detuned harmonic oscillators in the presence of a common heat bath. It is shown analytically how to engineer the couplings and frequencies of the system so as to have several degrees of freedom unaffected by decoherence, irrespective of the specific spectral density or initial state of the bath. This partial thermalization allows observing asymptotic entanglement at moderate temperatures, even in the nonresonant case. This latter feature cannot be seen in the simpler situation of only two oscillators, highlighting the richer structural variety of the three-body case. When departing from the strict conditions for partial thermalization, a hierarchical structure of dissipation rates for the normal modes is observed, leading to a long transient where quantum correlations such as the quantum discord are largely preserved, as well as to synchronous dynamics of the oscillators quadratures.
Dissipative quantum trajectories in complex space: Damped harmonic oscillator
NASA Astrophysics Data System (ADS)
Chou, Chia-Chun
2016-10-01
Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton-Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation for the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.
Quantum sweeps, synchronization, and Kibble-Zurek physics in dissipative quantum spin systems
NASA Astrophysics Data System (ADS)
Henriet, Loïc; Le Hur, Karyn
2016-02-01
We address dissipation effects on the nonequilibrium quantum dynamics of an ensemble of spins-1/2 coupled via an Ising interaction. Dissipation is modeled by a (Ohmic) bath of harmonic oscillators at zero temperature and correspond either to the sound modes of a one-dimensional Bose-Einstein (quasi-)condensate or to the zero-point fluctuations of a long transmission line. We consider the dimer comprising two spins and the quantum Ising chain with long-range interactions and develop an (mathematically and numerically) exact stochastic approach to address nonequilibrium protocols in the presence of an environment. For the two-spin case, we first investigate the dissipative quantum phase transition induced by the environment through quantum quenches and study the effect of the environment on the synchronization properties. Then we address Landau-Zener-Stueckelberg-Majorana protocols for two spins and for the spin array. In this latter case, we adopt a stochastic mean-field point of view and present a Kibble-Zurek-type argument to account for interaction effects in the lattice. Such dissipative quantum spin arrays can be realized in ultracold atoms, trapped ions, and mesoscopic systems and are related to Kondo lattice models.
Quantum Approach to One-body Dissipation
NASA Astrophysics Data System (ADS)
Rizea, M.; Carjan, N.
The nuclear dissipation, i.e. the conversion of collective energy into intrinsic energy is investigated in the frame of quantum mechanics. Using appropiate numerical procedures, we follow the motion of individual nucleons according to the time-dependent Schr̈odinger equation with time-dependent potential. In particular we study the transition from the saddle to the scission point during the low energy fission of 236U. Different rates T of change of the nuclear shape along this path were considered. The overlap integrals between the static solutions of the bi-dimensional Schr̈odinger equation and the time-dependent wave packets yield the transition probabilities and hence the singleparticle excitations during the saddle-to-scission descent. Using the numerical solutions other relevant pre-scission properties have been evaluated as well.
Measurement fidelity in the presence of coherent dynamics or dissipation
NASA Astrophysics Data System (ADS)
You, Jian-Qiang; Ashhab, S.; Nori, Franco
2011-03-01
We analyze the problem of a charge qubit probed by a quantum point contact when the measurement is concurrent with Hamiltonian-induced coherent dynamics or dissipation. This additional dynamics changes the state of the qubit before the measurement is completed. As a result, the measurement fidelity is reduced. We calculate the reduction in measurement fidelity in these cases. References: S. Ashhab, J. Q. You, and F. Nori, New J. Phys. 11, 083017 (2009); Phys. Scr. T137, 014005 (2009).
NASA Astrophysics Data System (ADS)
Cui, Ping
The thesis comprises two major themes of quantum statistical dynamics. One is the development of quantum dissipation theory (QDT). It covers the establishment of some basic relations of quantum statistical dynamics, the construction of several nonequivalent complete second-order formulations, and the development of exact QDT. Another is related to the applications of quantum statistical dynamics to a variety of research fields. In particular, unconventional but novel theories of the electron transfer in Debye solvents, quantum transport, and quantum measurement are developed on the basis of QDT formulations. The thesis is organized as follows. In Chapter 1, we present some background knowledge in relation to the aforementioned two themes of this thesis. The key quantity in QDT is the reduced density operator rho(t) ≡ trBrho T(t); i.e., the partial trace of the total system and bath composite rhoT(t) over the bath degrees of freedom. QDT governs the evolution of reduced density operator, where the effects of bath are treated in a quantum statistical manner. In principle, the reduced density operator contains all dynamics information of interest. However, the conventional quantum transport theory is formulated in terms of nonequilibrium Green's function. The newly emerging field of quantum measurement in relation to quantum information and quantum computing does exploit a sort of QDT formalism. Besides the background of the relevant theoretical development, some representative experiments on molecular nanojunctions are also briefly discussed. In chapter 2, we outline some basic (including new) relations that highlight several important issues on QDT. The content includes the background of nonequilibrium quantum statistical mechanics, the general description of the total composite Hamiltonian with stochastic system-bath interaction, a novel parameterization scheme for bath correlation functions, a newly developed exact theory of driven Brownian oscillator (DBO
Quantum damped oscillator I: Dissipation and resonances
Chruscinski, Dariusz
2006-04-15
Quantization of a damped harmonic oscillator leads to so called Bateman's dual system. The corresponding Bateman's Hamiltonian, being a self-adjoint operator, displays the discrete family of complex eigenvalues. We show that they correspond to the poles of energy eigenvectors and the corresponding resolvent operator when continued to the complex energy plane. Therefore, the corresponding generalized eigenvectors may be interpreted as resonant states which are responsible for the irreversible quantum dynamics of a damped harmonic oscillator.
Dissipation equation of motion approach to open quantum systems
NASA Astrophysics Data System (ADS)
Yan, YiJing; Jin, Jinshuang; Xu, Rui-Xue; Zheng, Xiao
2016-08-01
This paper presents a comprehensive account of the dissipaton-equation-of-motion (DEOM) theory for open quantum systems. This newly developed theory treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that are also experimentally measurable. Despite the fact that DEOM recovers the celebrated hierarchical-equations-of-motion (HEOM) formalism, these two approaches have some fundamental differences. To show these differences, we also scrutinize the HEOM construction via its root at the influence functional path integral formalism. We conclude that many unique features of DEOM are beyond the reach of the HEOM framework. The new DEOM approach renders a statistical quasi-particle picture to account for the environment, which can be either bosonic or fermionic. The review covers the DEOM construction, the physical meanings of dynamical variables, the underlying theorems and dissipaton algebra, and recent numerical advancements for efficient DEOM evaluations of various problems. We also address the issue of high-order many-dissipaton truncations with respect to the invariance principle of quantum mechanics of Schrödinger versus Heisenberg prescriptions. DEOM serves as a universal tool for characterizing of stationary and dynamic properties of system-and-bath interferences, as highlighted with its real-time evaluation of both linear and nonlinear current noise spectra of nonequilibrium electronic transport.
Dissipative Dynamics with Exotic Beams
NASA Astrophysics Data System (ADS)
di Toro, M.; Colonna, M.; Greco, V.; Ferini, G.; Rizzo, C.; Rizzo, J.; Baran, V.; Wolter, H. H.; Zielinska-Pfabe, M.
2008-04-01
Heavy Ion Collisions (HIC) represent a unique tool to probe the in-medium nuclear interaction in regions away from saturation and at high nucleon momenta. In this report we present a selection of reaction observables particularly sensitive to the isovector part of the interaction, i.e. to the symmetry term of the nuclear Equation of State (EoS) At low and Fermi energies the behavior of the symmetry energy around saturation influences dissipation and fragment production mechanisms. Predictions are shown for fusion, deep-inelastic and fragmentation collisions induced by neutron rich projectiles. At all energies the isospin transport data are supplying valuable information on value and slope of the symmetry term below saturation. The importance of studying violent collisions with radioactive beams in this energy range is finally stressed.
Quantum phase transitions in the presence of disorder and dissipation
NASA Astrophysics Data System (ADS)
Kotabage, Chetan
A quantum phase transition is a phase transition at absolute zero occurring under variations in an external non-thermal parameter such as magnetic field or pressure. Quantum phase transitions are one among the important topics currently investigated in condensed matter physics. They are observed in various systems, e.g., in the ferromagnetic-paramagnetic phase transition in LiHoF 4 or in the superconductor-metal phase transition in nanowires. A particular class of quantum phase transitions, which is phase transitions in the presence of disorder and dissipation, is investigated here. An example of this class is the ferromagnetic-paramagnetic phase transition in Ni 1-xVx or CePd 1-xRhx caused by variations in chemical composition. In these system, disorder is due to random positions of doping element and the dynamics of order-parameter fluctuations is dissipative due to conduction electrons. These quantum phase transitions are explained using the following approach: The Landau-Ginzberg-Wilson functional, which is derived from a microscopic Hamiltonian, is treated by the strong-disorder renormalization group method. For ohmic damping, phase transitions are strongly influenced by disorder and the critical point is an infinite-randomness fixed point, which is in the universality class same as that of the random transverse-field Ising model. The scaling form of observable quantities is activated type rather than conventional power-law type. For superohmic damping, the strong-disorder renormalization group method yields one of the recursion relationships different from ohmic damping. This difference indicates a more conventional transition for superohmic damping.
Schroedinger-equation formalism for a dissipative quantum system
Anisimovas, E.; Matulis, A.
2007-02-15
We consider a model dissipative quantum-mechanical system realized by coupling a quantum oscillator to a semi-infinite classical string which serves as a means of energy transfer from the oscillator to the infinity and thus plays the role of a dissipative element. The coupling between the two--quantum and classical--parts of the compound system is treated in the spirit of the mean-field approximation and justification of the validity of such an approach is given. The equations of motion of the classical subsystem are solved explicitly and an effective dissipative Schroedinger equation for the quantum subsystem is obtained. The proposed formalism is illustrated by its application to two basic problems: the decay of the quasistationary state and the calculation of the nonlinear resonance line shape.
Viscosity measurement techniques in Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Boromand, Arman; Jamali, Safa; Maia, Joao M.
2015-11-01
In this study two main groups of viscosity measurement techniques are used to measure the viscosity of a simple fluid using Dissipative Particle Dynamics, DPD. In the first method, a microscopic definition of the pressure tensor is used in equilibrium and out of equilibrium to measure the zero-shear viscosity and shear viscosity, respectively. In the second method, a periodic Poiseuille flow and start-up transient shear flow is used and the shear viscosity is obtained from the velocity profiles by a numerical fitting procedure. Using the standard Lees-Edward boundary condition for DPD will result in incorrect velocity profiles at high values of the dissipative parameter. Although this issue was partially addressed in Chatterjee (2007), in this work we present further modifications (Lagrangian approach) to the original LE boundary condition (Eulerian approach) that will fix the deviation from the desired shear rate at high values of the dissipative parameter and decrease the noise to signal ratios in stress measurement while increases the accessible low shear rate window. Also, the thermostat effect of the dissipative and random forces is coupled to the dynamic response of the system and affects the transport properties like the viscosity and diffusion coefficient. We investigated thoroughly the dependency of viscosity measured by both Eulerian and Lagrangian methodologies, as well as numerical fitting procedures and found that all the methods are in quantitative agreement.
Smeared quantum phase transition in the dissipative random quantum Ising model
NASA Astrophysics Data System (ADS)
Vojta, Thomas; Hoyos, José A.
2010-01-01
We investigate the quantum phase transition in the random transverse-field Ising model under the influence of Ohmic dissipation. To this end, we numerically implement a strong-disorder renormalization-group scheme. We find that Ohmic dissipation destroys the quantum critical point and the associated quantum Griffiths phase by smearing. Our results quantitatively confirm a recent theory [J.A. Hoyos, T. Vojta, Phys. Rev. Lett. 100 (2008) 240601] of smeared quantum phase transitions.
Dissipation in a Quantum Wire: Fact and Fantasy
NASA Astrophysics Data System (ADS)
Das, Mukunda P.; Green, Frederick
2008-10-01
Where, and how, does energy dissipation of electrical energy take place in a ballistic wire? Fully two decades after the advent of the transmissive phenomenology of electrical conductance, this deceptively simple query remains unanswered. We revisit the quantum kinetic basis of dissipation and show its power to give a definitive answer to our query. Dissipation leaves a clear, quantitative trace in the non-equilibrium current noise of a quantum point contact; this signature has already been observed in the laboratory. We then highlight the current state of accepted understandings in the light of well-known yet seemingly contradictory measurements. The physics of mesoscopic transport rests not in coherent carrier transmission through a perfect and dissipationless metallic channel, but explicitly in their dissipative inelastic scattering at the wire's interfaces and adjacent macroscopic leads.
Symmetry boundary condition in dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Pal, Souvik; Lan, Chuanjin; Li, Zhen; Hirleman, E. Daniel; Ma, Yanbao
2015-07-01
Dissipative particle dynamics (DPD) is a coarse-grained particle method for modeling mesoscopic hydrodynamics. Most of the DPD simulations are carried out in 3D requiring remarkable computation time. For symmetric systems, this time can be reduced significantly by simulating only one half or one quarter of the systems. However, such simulations are not yet possible due to a lack of schemes to treat symmetric boundaries in DPD. In this study, we propose a numerical scheme for the implementation of the symmetric boundary condition (SBC) in both dissipative particle dynamics (DPD) and multibody dissipative particle dynamics (MDPD) using a combined ghost particles and specular reflection (CGPSR) method. We validate our scheme in four different configurations. The results demonstrate that our scheme can accurately reproduce the system properties, such as velocity, density and meniscus shapes of a full system with numerical simulations of a subsystem. Using a symmetric boundary condition for one half of the system, we demonstrate about 50% computation time saving in both DPD and MDPD. This approach for symmetric boundary treatment can be also applied to other coarse-grained particle methods such as Brownian and Langevin Dynamics to significantly reduce computation time.
Detectability of Dissipative Motion in Quantum Vacuum via Superradiance
Kim, Woo-Joong; Brownell, James Hayden; Onofrio, Roberto
2006-05-26
We propose an experiment for generating and detecting vacuum-induced dissipative motion. A high frequency mechanical resonator driven in resonance is expected to dissipate mechanical energy in quantum vacuum via photon emission. The photons are stored in a high quality electromagnetic cavity and detected through their interaction with ultracold alkali-metal atoms prepared in an inverted population of hyperfine states. Superradiant amplification of the generated photons results in a detectable radio-frequency signal temporally distinguishable from the expected background.
Classical to quantum correspondence in dissipative directed transport
NASA Astrophysics Data System (ADS)
Carlo, Gabriel G.; Rivas, Alejandro M. F.; Spina, María E.
2015-11-01
We compare the quantum and classical properties of the (quantum) isoperiodic stable structures [(Q)ISSs], which organize the parameter space of a paradigmatic dissipative ratchet model, i.e., the dissipative modified kicked rotator. We study the spectral behavior of the corresponding classical Perron-Frobenius operators with thermal noise and the quantum superoperators without it for small ℏeff values. We find a remarkable similarity between the classical and quantum spectra. This finding significantly extends previous results—obtained for the mean currents and asymptotic distributions only—and, on the other hand, unveils a classical to quantum correspondence mechanism where the classical noise is qualitatively different from the quantum one. This is crucial not only for simple attractors but also for chaotic ones, where just analyzing the asymptotic distribution is revealed as insufficient. Moreover, we provide with a detailed characterization of relevant eigenvectors by means of the corresponding Weyl-Wigner distributions, in order to better identify similarities and differences. Finally, this model being generic, it allows us to conjecture that this classical to quantum correspondence mechanism is a universal feature of dissipative systems.
He Qiliang; Xu Jingbo; Zhang Yeqi; Yao Daoxin
2011-08-15
We investigate the phenomenon of sudden transition between classical and quantum decoherence in the study of quantum discord for a dissipative cavity QED system, which consists of two noninteracting two-level atoms, each trapped in a dissipative cavity. It is found that the quantum discord between the two atoms, which are prepared initially in the X-type quantum states, is not destroyed by the dissipation of the cavities for a finite time interval, and the stationary quantum discord can arise in the interaction of atoms with cavities as the time approaches infinity. The transition time is sensitive to the initial state parameter of the two atoms and the mean photon number of the coherent field. Interestingly, the quantum discord between the two atoms is completely unaffected by the dissipation of the cavities if we choose the suitable value of the ratio, which depends on the decay rate of the two cavities and the atom-field coupling constant.
Quantum metrology with spin cat states under dissipation.
Huang, Jiahao; Qin, Xizhou; Zhong, Honghua; Ke, Yongguan; Lee, Chaohong
2015-12-09
Quantum metrology aims to yield higher measurement precisions via quantum techniques such as entanglement. It is of great importance for both fundamental sciences and practical technologies, from testing equivalence principle to designing high-precision atomic clocks. However, due to environment effects, highly entangled states become fragile and the achieved precisions may even be worse than the standard quantum limit (SQL). Here we present a high-precision measurement scheme via spin cat states (a kind of non-Gaussian entangled states in superposition of two quasi-orthogonal spin coherent states) under dissipation. In comparison to maximally entangled states, spin cat states with modest entanglement are more robust against losses and their achievable precisions may still beat the SQL. Even if the detector is imperfect, the achieved precisions of the parity measurement are higher than the ones of the population measurement. Our scheme provides a realizable way to achieve high-precision measurements via dissipative quantum systems of Bose atoms.
Quantum metrology with spin cat states under dissipation
NASA Astrophysics Data System (ADS)
Huang, Jiahao; Qin, Xizhou; Zhong, Honghua; Ke, Yongguan; Lee, Chaohong
2015-12-01
Quantum metrology aims to yield higher measurement precisions via quantum techniques such as entanglement. It is of great importance for both fundamental sciences and practical technologies, from testing equivalence principle to designing high-precision atomic clocks. However, due to environment effects, highly entangled states become fragile and the achieved precisions may even be worse than the standard quantum limit (SQL). Here we present a high-precision measurement scheme via spin cat states (a kind of non-Gaussian entangled states in superposition of two quasi-orthogonal spin coherent states) under dissipation. In comparison to maximally entangled states, spin cat states with modest entanglement are more robust against losses and their achievable precisions may still beat the SQL. Even if the detector is imperfect, the achieved precisions of the parity measurement are higher than the ones of the population measurement. Our scheme provides a realizable way to achieve high-precision measurements via dissipative quantum systems of Bose atoms.
Blast Dynamics in a Dissipative Gas.
Barbier, M; Villamaina, D; Trizac, E
2015-11-20
The blast caused by an intense explosion has been extensively studied in conservative fluids, where the Taylor-von Neumann-Sedov hydrodynamic solution is a prototypical example of self-similarity driven by conservation laws. In dissipative media, however, energy conservation is violated, yet a distinctive self-similar solution appears. It hinges on the decoupling of random and coherent motion permitted by a broad class of dissipative mechanisms. This enforces a peculiar layered structure in the shock, for which we derive the full hydrodynamic solution, validated by a microscopic approach based on molecular dynamics simulations. We predict and evidence a succession of temporal regimes, as well as a long-time corrugation instability, also self-similar, which disrupts the blast boundary. These generic results may apply from astrophysical systems to granular gases, and invite further cross-fertilization between microscopic and hydrodynamic approaches of shock waves.
Quantum Theory of a Strongly-Dissipative Scalar Field
NASA Astrophysics Data System (ADS)
Jafari, Marjan; Kheirandish, Fardin
2017-04-01
The properties of a quantum dissipative scalar field is analyzed by Caldeira-Leggett model in strong-coupling regime. The Lagrangian of the total system is canonically quantized and the full Hamiltonian is diagonalized using Fano technique. A mode-dependent probability density is introduced. The steady state energy and correlation functions at finite temperature are calculated in terms of the probability density.
Polarizable water model for Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Pivkin, Igor; Peter, Emanuel
2015-11-01
Dissipative Particle Dynamics (DPD) is an efficient particle-based method for modeling mesoscopic behavior of fluid systems. DPD forces conserve the momentum resulting in a correct description of hydrodynamic interactions. Polarizability has been introduced into some coarse-grained particle-based simulation methods; however it has not been done with DPD before. We developed a new polarizable coarse-grained water model for DPD, which employs long-range electrostatics and Drude oscillators. In this talk, we will present the model and its applications in simulations of membrane systems, where polarization effects play an essential role.
Energy relaxation of a dissipative quantum oscillator
Kumar, Pradeep; Pollak, Eli
2014-12-21
The dissipative harmonic oscillator is studied as a model for vibrational relaxation in a liquid environment. Continuum limit expressions are derived for the time-dependent average energy, average width of the population, and the vibrational population itself. The effect of the magnitude of the solute-solvent interaction, expressed in terms of a friction coefficient, solvent temperature, and initial energy of the oscillator on the relaxation has been studied. These results shed light on the recent femtosecond stimulated Raman scattering probe of the 1570 cm{sup −1} −C=C− stretching mode of trans-Stilbene in the first (S{sub 1}) excited electronic state. When the oscillator is initially cold with respect to the bath temperature, its average energy and width increase in time. When it is initially hot, the average energy and width decrease with time in qualitative agreement with the experimental observations.
Dissipative macroscopic quantum tunneling in type-I superconductors
Zarzuela, R.; Tejada, J.; Chudnovsky, E. M.
2011-11-01
We study macroscopic quantum tunneling of interfaces separating normal and superconducting regions in type-I superconductors. A mathematical model is developed that describes dissipative quantum escape of a two-dimensional manifold from a planar potential well. It corresponds to, e.g., a current-driven quantum depinning of the interface from a grain boundary or from an artificially manufactured pinning layer. Effective action is derived and instantons of the equations of motion are investigated. The crossover between thermal activation and quantum tunneling is studied and the crossover temperature is computed. Our results, together with recent observation of nonthermal low-temperature magnetic relaxation in lead, suggest the possibility of a controlled measurement of quantum depinning of the interface in a type-I superconductor.
Effects of dissipation on an adiabatic quantum search algorithm
NASA Astrophysics Data System (ADS)
de Vega, Inés; Bañuls, Mari Carmen; Pérez, A.
2010-12-01
According to recent studies (Amin et al 2008 Phys. Rev. Lett. 100 060503), the effect of a thermal bath may improve the performance of a quantum adiabatic search algorithm. In this paper, we compare the effects of such a thermal environment on the algorithm performance with those of a structured environment similar to the one encountered in systems coupled to an electromagnetic field that exists within a photonic crystal. Whereas for all the parameter regimes explored here, the algorithm performance is worsened by contact with a thermal environment, the picture appears to be different when one considers a structured environment. In this case we show that by tuning the environment parameters to certain regimes, the algorithm performance can actually be improved with respect to the closed system case. Additionally, the relevance of considering the dissipation rates as complex quantities is discussed in both cases. More specifically, we find that the imaginary part of the rates cannot be neglected with the usual argument that it simply amounts to an energy shift and in fact influences crucially the system dynamics.
Entanglement and dissipation in a 2x2 quantum-dot cell
NASA Astrophysics Data System (ADS)
Debora Contreras, Lesbia; Rojas, Fernando
2005-03-01
Quantum dot arrays or quantum-dot cellular automata (QCA) have been proposed as elements capable to encode, process and transmit logical information based on quantum effects in terms of charge distributions in specific geometries. and the basis for the charge qubits. Quantum Entanglement is a resource to encode information in a completely new way making possible quantum teleportation, quantum error correction, quantum dense coding. In this work, we explore the dynamical formation of entangled states including dissipative effects, of two parallel double dots (four dots, 2x2 cell), with one extra electron each, coupled by the Coulomb interaction and controlled by a time dependent potential difference applied to one of the double dots, causing the electron to switch. We include dissipative effects via electron-phonon interaction in the Markovian approximation for the reduced density matrix. Dynamical properties of the cell such as charge polarization, measure the entanglement (Wootters concurrence) and the probabilities for each Bell state, are discussed as a function of relevant parameters (tunneling, potential difference, temperature). We find that it is possible to obtain entangled states in the cell based on the electronic charge distribution and produce a specific Bell state from an initially non entangled state through the control of the time dependent potential. The work is supported by DGAPA project IN114403 and CONACyT project 43673-F
Optimal Control of Open Quantum Systems: Cooperative Effects of Driving and Dissipation
NASA Astrophysics Data System (ADS)
Schmidt, R.; Negretti, A.; Ankerhold, J.; Calarco, T.; Stockburger, J. T.
2011-09-01
We investigate the optimal control of open quantum systems, in particular, the mutual influence of driving and dissipation. A stochastic approach to open-system control is developed, using a generalized version of Krotov’s iterative algorithm, with no need for Markovian or rotating-wave approximations. The application to a harmonic degree of freedom reveals cooperative effects of driving and dissipation that a standard Markovian treatment cannot capture. Remarkably, control can modify the open-system dynamics to the point where the entropy change turns negative, thus achieving cooling of translational motion without any reliance on internal degrees of freedom.
Accelerating dissipative particle dynamics with multiple GPUs
NASA Astrophysics Data System (ADS)
Wang, Sibo; Xu, Junbo; Wen, Hao
2013-11-01
Dissipative particle dynamics (DPD) simulation is implemented on multiple GPUs by using NVIDIA's Compute Unified Device Architecture (CUDA) in this paper. Data communication between each GPU is executed based on the POSIX thread. Compared with the single-GPU implementation, this implementation can provide faster computation speed and more storage space to perform simulations on a significant larger system. In benchmark, the performance of GPUs is compared with that of Material Studio running on a single CPU core. We can achieve more than 90x speedup by using three C2050 GPUs to perform simulations on an 80∗80∗80 system. This implementation is applied to the study on the dispersancy of lubricant succinimide dispersants. A series of simulations are performed on lubricant-soot-dispersant systems to study the impact factors including concentration and interaction with lubricant on the dispersancy, and the simulation results are agreed with the study in our present work.
Polarizable protein model for Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Peter, Emanuel; Lykov, Kirill; Pivkin, Igor
2015-11-01
In this talk, we present a novel polarizable protein model for the Dissipative Particle Dynamics (DPD) simulation technique, a coarse-grained particle-based method widely used in modeling of fluid systems at the mesoscale. We employ long-range electrostatics and Drude oscillators in combination with a newly developed polarizable water model. The protein in our model is resembled by a polarizable backbone and a simplified representation of the sidechains. We define the model parameters using the experimental structures of 2 proteins: TrpZip2 and TrpCage. We validate the model on folding of five other proteins and demonstrate that it successfully predicts folding of these proteins into their native conformations. As a perspective of this model, we will give a short outlook on simulations of protein aggregation in the bulk and near a model membrane, a relevant process in several Amyloid diseases, e.g. Alzheimer's and Diabetes II.
An extended dissipative particle dynamics model
NASA Astrophysics Data System (ADS)
Cotter, C. J.; Reich, S.
2003-12-01
The method of dissipative particle dynamics (DPD) was introduced by Hoogerbrugge and Koelman (Europhys. Lett., 19 (1992) 155) to study meso-scale material processes. The theoretical investigation of the DPD method was initiated by Espanol (Phys. Rev. E, 52 (1995) 1734) who used a Fokker-Planck formulation of the DPD method and applied the Mori-Zwanzig projection operator calculus to obtain the equations of hydrodynamics for DPD. A current limitation of DPD is that it requires a clear separation of scales between the resolved and unresolved processes. In this letter, we suggest a simple extension of DPD that allows for inclusion of unresolved stochastic processes with exponentially decaying variance for any value of the decay rate, and give an application of this algorithm to the simulation of the shallow-water equations using the Hamiltonian particle-mesh method. The proposed extension is as easy to implement as the standard DPD methods.
Quantum dynamics in open quantum-classical systems.
Kapral, Raymond
2015-02-25
Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.
Dissipation in microwave quantum circuits with hybrid nanowire Josephson elements
NASA Astrophysics Data System (ADS)
Mugnai, D.; Ranfagni, A.; Agresti, A.
2017-04-01
Recent experiments on hybrid Josephson junctions have made the argument a topical subject. However, a quantity which remains still unknown is the tunneling (or response) time, which is strictly connected to the role that dissipation plays in the dynamics of the complete system. A simple way for evaluating dissipation in microwave circuits, previously developed for describing the dynamics of conventional Josephson junctions, is now presented as suitable for application even to non-conventional junctions. The method is based on a stochastic model, as derived from the telegrapher's equation, and is particularly devoted to the case of junctions loaded by real transmission lines. When the load is constituted by lumped-constant circuits, a connection with the stochastic model is also maintained. The theoretical model demonstrated its ability to analyze both classically-allowed and forbidden processes, and has found a wide field of applicability, namely in all cases in which dissipative effects cannot be ignored.
Fidelity optimization for holonomic quantum gates in dissipative environments
Parodi, Daniele; Solinas, Paolo; Zanghi, Nino; Sassetti, Maura; Zanardi, Paolo
2006-05-15
We analyze the performance of holonomic quantum gates in semiconductor quantum dots, driven by ultrafast lasers, under the effect of a dissipative environment. The environment is modeled as a thermal bath of oscillators linearly coupled with the electron states of the quantum dot. Standard techniques make the problem amenable to a numerical treatment and allow one to determine the fidelity as a function of all the relevant physical parameters. As a consequence of our analysis, we show that the disturbance of the environment can be (approximately) suppressed and the performance of the gate optimized--provided that the thermal bath is purely super-Ohmic. We conclude by showing that such an optimization is impossible for Ohmic environments.
Crossover from adiabatic to antiadiabatic quantum pumping with dissipation.
Pellegrini, Franco; Negri, C; Pistolesi, F; Manini, Nicola; Santoro, Giuseppe E; Tosatti, Erio
2011-08-05
Quantum pumping, in its different forms, is attracting attention from different fields, from fundamental quantum mechanics, to nanotechnology, to superconductivity. We investigate the crossover of quantum pumping from the adiabatic to the antiadiabatic regime in the presence of dissipation, and find general and explicit analytical expressions for the pumped current in a minimal model describing a system with the topology of a ring forced by a periodic modulation of frequency ω. The solution allows following in a transparent way the evolution of pumped dc current from much smaller to much larger ω values than the other relevant energy scale, the energy splitting introduced by the modulation. We find and characterize a temperature-dependent optimal value of the frequency for which the pumped current is maximal.
Minimising the heat dissipation of quantum information erasure
NASA Astrophysics Data System (ADS)
Hamed Mohammady, M.; Mohseni, Masoud; Omar, Yasser
2016-01-01
Quantum state engineering and quantum computation rely on information erasure procedures that, up to some fidelity, prepare a quantum object in a pure state. Such processes occur within Landauer's framework if they rely on an interaction between the object and a thermal reservoir. Landauer's principle dictates that this must dissipate a minimum quantity of heat, proportional to the entropy reduction that is incurred by the object, to the thermal reservoir. However, this lower bound is only reachable for some specific physical situations, and it is not necessarily achievable for any given reservoir. The main task of our work can be stated as the minimisation of heat dissipation given probabilistic information erasure, i.e., minimising the amount of energy transferred to the thermal reservoir as heat if we require that the probability of preparing the object in a specific pure state ≤ft|{\\varphi }1\\right.> be no smaller than {p}{\\varphi 1}{max}-δ . Here {p}{\\varphi 1}{max} is the maximum probability of information erasure that is permissible by the physical context, and δ ≥slant 0 the error. To determine the achievable minimal heat dissipation of quantum information erasure within a given physical context, we explicitly optimise over all possible unitary operators that act on the composite system of object and reservoir. Specifically, we characterise the equivalence class of such optimal unitary operators, using tools from majorisation theory, when we are restricted to finite-dimensional Hilbert spaces. Furthermore, we discuss how pure state preparation processes could be achieved with a smaller heat cost than Landauer's limit, by operating outside of Landauer's framework.
Numerical renormalization group study of a dissipative quantum dot
NASA Astrophysics Data System (ADS)
Glossop, M. T.; Ingersent, K.
2007-03-01
We study the quantum phase transition (QPT) induced by dissipation in a quantum dot device at the degeneracy point. We employ a Bose-Fermi numerical renormalization group approach [1] to study the simplest case of a spinless resonant-level model that couples the charge density on the dot to a dissipative bosonic bath with density of states B(φ)ŝ. In anticipation of future experiments [2] and to assess further the validity of theoretical techniques in this rapidly developing area, we take the conduction-electron leads to have a pseudogap density of states: ρ(φ) |φ|^r, as considered in a very recent perturbative renormalization group study [3]. We establish the conditions on r and s such that a QPT arises with increasing dissipation strength --- from a delocalized phase, where resonant tunneling leads to large charge fluctuations on the dot, to a localized phase where such fluctuations are frozen. We present results for the single-particle spectrum and the response of the system to a local electric field, extracting critical exponents that depend in general on r and s and obey hyperscaling relations. We make full comparison with results of [3] where appropriate. Supported by NSF Grant DMR-0312939. [1] M. T. Glossop and K. Ingersent, PRL 95, 067202 (2005); PRB (2006). [2] L. G. G. V. Dias da Silva, N. P. Sandler, K. Ingersent, and S. E. Ulloa, PRL 97, 096603 (2006). [3] C.-H. Chung, M. Kir'can, L. Fritz, and M. Vojta (2006).
NASA Astrophysics Data System (ADS)
Banerjee, D.; Hebenstreit, F.; Jiang, F.-J.; Wiese, U.-J.
2015-09-01
Using quantum Monte Carlo, we study the nonequilibrium transport of magnetization in large open strongly correlated quantum spin-1/2 systems driven by purely dissipative processes that conserve the uniform or staggered magnetization, disregarding unitary Hamiltonian dynamics. We prepare both a low-temperature Heisenberg ferromagnet and an antiferromagnet in two parts of the system that are initially isolated from each other. We then bring the two subsystems in contact and study their real-time dissipative dynamics for different geometries. The flow of the uniform or staggered magnetization from one part of the system to the other is described by a diffusion equation that can be derived analytically.
Dissipation of intersubband plasmons in wide quantum wells.
Williams, J B; Sherwin, M S; Maranowski, K D; Gossard, A C
2001-07-16
This Letter reports detailed measurements of the dissipation times tau(d) of approximately 10 meV intersubband (ISB) plasmons, and of the (single-particle) transport lifetimes tau(mu), in a remotely doped 40 nm GaAs quantum well. Introduced here as the time for ISB plasmons to dissipate into other modes of the electron gas, tau(d) is deduced from the homogeneous ISB absorption linewidth, measured as a function of sheet concentration and perpendicular dc electric field. Modeling in this and the next Letter [C. A. Ullrich and G. Vignale, Phys. Rev. Lett. 87, 037402 (2001)] indicates that scattering from rough interfaces dominates tau(d), while scattering from ionized impurities dominates tau(mu).
Dissipation of Intersubband Plasmons in Wide Quantum Wells
NASA Astrophysics Data System (ADS)
Williams, J. B.; Sherwin, M. S.; Maranowski, K. D.; Gossard, A. C.
2001-07-01
This Letter reports detailed measurements of the dissipation times τd of ~10 meV intersubband (ISB) plasmons, and of the (single-particle) transport lifetimes τμ, in a remotely doped 40 nm GaAs quantum well. Introduced here as the time for ISB plasmons to dissipate into other modes of the electron gas, τd is deduced from the homogeneous ISB absorption linewidth, measured as a function of sheet concentration and perpendicular dc electric field. Modeling in this and the next Letter [C. A. Ullrich and G. Vignale, Phys. Rev. Lett. 87, 037402 (2001)] indicates that scattering from rough interfaces dominates τd, while scattering from ionized impurities dominates τμ.
Dissipative Particle Dynamics simulation of colloidal suspensions
NASA Astrophysics Data System (ADS)
Jamali, Safa; Boromand, Arman; Maia, Joao
2014-03-01
DPD as a mesoscale method was firstly proposed to study dynamics of suspensions under flow condition. However the proposed method failed to capture shear properties of suspensions because it lacked: first a potential to reproduce lubrication forces and second a clear definition for the colloid surface. Recently we reported a modified DPD method which defines colloidal particles as particles with hard core and a dissipative coat. An additional lubrication force was introduced to include the short-range hydrodynamics that are not captured in original DPD. The model was found to be able to reproduce shear properties of suspensions for a wide range of different systems, from monodisperse to bimodal with different volume fractions, compositions and size ratios. In present work our modified DPD method is employed to study both equilibrium and flow properties of colloidal suspension. Zero shear viscosity of suspension is measured using Green-Kubo expressions and the results are compared to theoretical predictions. Furthermore, structure formation in suspensions is studied in respect to energy landscape of the fluid both at rest and under flow.
Strongly nonlinear thermovoltage and heat dissipation in interacting quantum dots
NASA Astrophysics Data System (ADS)
Sierra, Miguel A.; Sánchez, David
2014-09-01
We investigate the nonlinear regime of charge and energy transport through Coulomb-blockaded quantum dots. We discuss crossed effects that arise when electrons move in response to thermal gradients (Seebeck effect) or energy flows in reaction to voltage differences (Peltier effect). We find that the differential thermoelectric conductance shows a characteristic Coulomb butterfly structure due to charging effects. Importantly, we show that experimentally observed thermovoltage zeros are caused by the activation of Coulomb resonances at large thermal shifts. Furthermore, the power dissipation asymmetry between the two attached electrodes can be manipulated with the applied voltage, which has implications for the efficient design of nanoscale coolers.
Fluctuation-dissipation relation in a resonantly driven quantum medium.
Erukhimova, Maria; Tokman, Mikhail
2015-06-15
Noise associated with the spontaneous emission in a coherently driven medium is calculated. The significant field-induced modification of relation between the noise power and damping constant in a thermal reservoir is obtained. The nonlinear noise exchange between different atomic frequencies leads to violation of standard relations dictated by the fluctuation-dissipation theorem. The developed general method is applied to the EIT system, attractive for realization of different quantum-information processing devices. It is shown that there is a significant factor defining the thermal noise at operating frequency in the EIT system. It is the averaged number of thermal photons at low frequency of ground state splitting.
Dynamics of spinor Bose-Einstein condensate subject to dissipation
NASA Astrophysics Data System (ADS)
Man-Man, Pang; Ya-Jiang, Hao
2016-04-01
We investigate the internal dynamics of the spinor Bose-Einstein condensates subject to dissipation by solving the Lindblad master equation. It is shown that for the condensates without dissipation its dynamics always evolve along a specific orbital in the phase space of (n 0, θ) and display three kinds of dynamical properties including Josephson-like oscillation, self-trapping-like oscillation, and ‘running phase’. In contrast, the condensates subject to dissipation will not evolve along the specific dynamical orbital. If component-1 and component-(-1) dissipate at different rates, the magnetization m will not conserve and the system transits between different dynamical regions. The dynamical properties can be exhibited in the phase space of (n 0, θ, m). Project supported by the National Natural Science Foundation of China (Grant No. 11004007) and the Fundamental Research Funds for the Central Universities of China.
Dynamic capillary wetting studied with dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Cupelli, Claudio; Henrich, Björn; Glatzel, Thomas; Zengerle, Roland; Moseler, Michael; Santer, Mark
2008-04-01
We present a study on dynamic capillary wetting in the framework of dissipative particle dynamics (DPD) based on a novel wall model for wetting on solid boundaries. We consider capillary impregnation of a slit pore in two situations: (i) forced (piston-driven) steady state flow and (ii) capillarity driven imbibition out of a finite reservoir. The dynamic contact angle behavior under condition (i) is consistent with the hydrodynamic theories of Cox under partial wetting conditions and Eggers for complete wetting. The flow field near the contact line shows a region of apparent slip flow which provides a natural way of avoiding a stress singularity at the triple line. The dynamics of the capillary imbibition, i.e. condition (ii), is consistently described by the Lucas-Washburn equation augmented by expressions that account for inertia and the influence of the dynamic contact angle.
Friction and particle-hole pairs. [in dissipative quantum phenomena
NASA Technical Reports Server (NTRS)
Guinea, F.
1984-01-01
The effect induced by dissipation on quantum phenomena has recently been considered, taking into account as a starting point a phenomenological Hamiltonian in which the environment is simulated by an appropriately chosen set of harmonic oscillators. It is found that this approach should be adequate to describe the low-energy behavior of a wide class of environments. The present investigation is concerned with an analysis of the case in which the environment is a gas (or liquid) of fermions, and the relevant low-energy excitations are particle-hole pairs. A study is conducted regarding the extent to which the quantum results obtained for harmonic oscillators are also valid in the considered situation. Linear-response theory is used to derive an effective action which describes the motion of an external particle coupled to a normal Fermi fluid.
Energy dissipation dataset for reversible logic gates in quantum dot-cellular automata.
Bahar, Ali Newaz; Rahman, Mohammad Maksudur; Nahid, Nur Mohammad; Hassan, Md Kamrul
2017-02-01
This paper presents an energy dissipation dataset of different reversible logic gates in quantum-dot cellular automata. The proposed circuits have been designed and verified using QCADesigner simulator. Besides, the energy dissipation has been calculated under three different tunneling energy level at temperature T=2 K. For estimating the energy dissipation of proposed gates; QCAPro tool has been employed.
Zeno dynamics in quantum open systems
Zhang, Yu-Ran; Fan, Heng
2015-01-01
Quantum Zeno effect shows that frequent observations can slow down or even stop the unitary time evolution of an unstable quantum system. This effect can also be regarded as a physical consequence of the statistical indistinguishability of neighboring quantum states. The accessibility of quantum Zeno dynamics under unitary time evolution can be quantitatively estimated by quantum Zeno time in terms of Fisher information. In this work, we investigate the accessibility of quantum Zeno dynamics in quantum open systems by calculating noisy Fisher information when a trace preserving and completely positive map is assumed. We firstly study the consequences of non-Markovian noise on quantum Zeno effect and give the exact forms of the dissipative Fisher information and the quantum Zeno time. Then, for the operator-sum representation, an achievable upper bound of the quantum Zeno time is given with the help of the results in noisy quantum metrology. It is of significance that the noise reducing the accuracy in the entanglement-enhanced parameter estimation can conversely be favorable for the accessibility of quantum Zeno dynamics of entangled states. PMID:26099840
Vortex formation and dynamics in two-dimensional driven-dissipative condensates
NASA Astrophysics Data System (ADS)
Hebenstreit, F.
2016-12-01
We investigate the real-time evolution of lattice bosons in two spatial dimensions whose dynamics is governed by a Markovian quantum master equation. We employ the Wigner-Weyl phase space quantization and derive the functional integral for open quantum many-body systems that determines the time evolution of the Wigner function. Using the truncated Wigner approximation, in which quantum fluctuations are only taken into account in the initial state whereas the dynamics is governed by classical evolution equations, we study the buildup of long-range correlations due to the action of non-Hermitean quantum jump operators that constitute a mechanism for dissipative cooling. Starting from an initially disordered state corresponding to a vortex condensate, the dissipative process results in the annihilation of vortex-antivortex pairs and the establishment of quasi-long-range order at late times. We observe that a finite vortex density survives the cooling process, which disagrees with the analytically constructed vortex-free Bose-Einstein condensate at asymptotic times. This indicates that quantum fluctuations beyond the truncated Wigner approximation need to be included to fully capture the physics of dissipative Bose-Einstein condensation.
Internal dissipation and heat leaks in quantum thermodynamic cycles.
Correa, Luis A; Palao, José P; Alonso, Daniel
2015-09-01
The direction of the steady-state heat currents across a generic quantum system connected to multiple baths may be engineered to realize virtually any thermodynamic cycle. In spite of their versatility, such continuous energy-conversion systems are generally unable to operate at maximum efficiency due to non-negligible sources of irreversible entropy production. In this paper we introduce a minimal model of irreversible absorption chiller. We identify and characterize the different mechanisms responsible for its irreversibility, namely heat leaks and internal dissipation, and gauge their relative impact in the overall cooling performance. We also propose reservoir engineering techniques to minimize these detrimental effects. Finally, by looking into a known three-qubit embodiment of the absorption cooling cycle, we illustrate how our simple model may help to pinpoint the different sources of irreversibility naturally arising in more complex practical heat devices.
Investigating dissipation in the quantum anomalous Hall effect
NASA Astrophysics Data System (ADS)
Fox, Eli; Bestwick, Andrew; Goldhaber-Gordon, David; Feng, Yang; Ou, Yunbo; He, Ke; Wang, Yayu; Xue, Qi-Kun; Kou, Xufeng; Pan, Lei; Wang, Kang
In the quantum anomalous Hall effect, a magnetic exchange gap in a 3D topological insulator gives rise to dissipationless chiral edge states. Though the effect has recently been realized in a family of ferromagnetically-doped (Bi,Sb)2Te3 topological insulator thin films, experiments to date have found non-vanishing longitudinal resistance, contrary to initial theoretical expectations. Proposed sources of this dissipation include extra gapless or activated quasi-helical edge states, thermally activated 2D conduction, and variable-range hopping. Here, we discuss transport measurements of Corbino disk and non-local geometries to identify the mechanism of non-ideal behavior. This work supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award No. 19-7503.
Internal dissipation and heat leaks in quantum thermodynamic cycles
NASA Astrophysics Data System (ADS)
Correa, Luis A.; Palao, José P.; Alonso, Daniel
2015-09-01
The direction of the steady-state heat currents across a generic quantum system connected to multiple baths may be engineered to realize virtually any thermodynamic cycle. In spite of their versatility, such continuous energy-conversion systems are generally unable to operate at maximum efficiency due to non-negligible sources of irreversible entropy production. In this paper we introduce a minimal model of irreversible absorption chiller. We identify and characterize the different mechanisms responsible for its irreversibility, namely heat leaks and internal dissipation, and gauge their relative impact in the overall cooling performance. We also propose reservoir engineering techniques to minimize these detrimental effects. Finally, by looking into a known three-qubit embodiment of the absorption cooling cycle, we illustrate how our simple model may help to pinpoint the different sources of irreversibility naturally arising in more complex practical heat devices.
Dynamic phase transitions of a driven Ising chain in a dissipative cavity
NASA Astrophysics Data System (ADS)
Luo, Xi-Wang; Zhang, Yu-Na; Zhou, Xingxiang; Guo, Guang-Can; Zhou, Zheng-Wei
2016-11-01
We study the nonequilibrium quantum phase transition of an Ising chain in a dissipative cavity driven by an external transverse light field. When driving and dissipation are in balance, the system can reach a nonequilibrium steady state which undergoes a superradiant phase transition as the driving strength increases. Interestingly, the superradiant field changes the effective bias of the Ising chain in return and drives its own transition between the ferromagnetic and the paramagnetic phase. We study the rich physics in this system with sophisticated behavior and investigate important issues in its dynamics such as the stability of the system and criticality of the phase transition.
Quench dynamics of a disordered array of dissipative coupled cavities
Creatore, C.; Fazio, R.; Keeling, J.; Türeci, H. E.
2014-01-01
We investigate the mean-field dynamics of a system of interacting photons in an array of coupled cavities in the presence of dissipation and disorder. We follow the evolution of an initially prepared Fock state, and show how the interplay between dissipation and disorder affects the coherence properties of the cavity emission, and show that these properties can be used as signatures of the many-body phase of the whole array. PMID:25197253
Quantum criticality in the two-dimensional dissipative quantum XY model
NASA Astrophysics Data System (ADS)
Zhu, Lijun; Hou, Changtao; Varma, Chandra M.
2016-12-01
Earlier Monte Carlo calculations on the dissipative two-dimensional XY model are extended in several directions. We study the phase diagram and the correlation functions when dissipation is very small, where it has properties of the classical 3D-XY transition, i.e., one with a dynamical critical exponent z =1 . The transition changes from z =1 to the class of criticality with z →∞ driven by topological defects, discovered earlier, beyond a critical dissipation. We also find that the critical correlations have power-law singularities as a function of tuning the ratio of the kinetic energy to the potential energy for fixed large dissipation, as opposed to essential singularities on tuning dissipation keeping the former fixed. A phase with temporal disorder but spatial order of the Kosterlitz-Thouless form is also further investigated. We also present results for the transition when the allowed Caldeira-Leggett form of dissipation and the allowed form of dissipation coupling to the compact rotor variables are both included. The nature of the transition is then determined by the Caldeira-Leggett form.
Thermoelectric study of dissipative quantum-dot heat engines
NASA Astrophysics Data System (ADS)
De, Bitan; Muralidharan, Bhaskaran
2016-10-01
This paper examines the thermoelectric response of a dissipative quantum-dot heat engine based on the Anderson-Holstein model in two relevant operating limits, (i) when the dot phonon modes are out of equilibrium, and (ii) when the dot phonon modes are strongly coupled to a heat bath. In the first case, a detailed analysis of the physics related to the interplay between the quantum-dot level quantization, the on-site Coulomb interaction, and the electron-phonon coupling on the thermoelectric performance reveals that an n -type heat engine performs better than a p -type heat engine. In the second case, with the aid of the dot temperature estimated by incorporating a thermometer bath, it is shown that the dot temperature deviates from the bath temperature as electron-phonon interaction in the dot becomes stronger. Consequently, it is demonstrated that the dot temperature controls the direction of phonon heat currents, thereby influencing the thermoelectric performance. Finally, the conditions on the maximum efficiency with varying phonon couplings between the dot and all the other macroscopic bodies are analyzed in order to reveal the nature of the optimum junction.
Microscopic description of dissipative dynamics of a level-crossing transition
Scala, M.; Militello, B.; Messina, A.; Vitanov, N. V.
2011-08-15
We analyze the effect of a dissipative bosonic environment on the Landau-Zener-Stueckelberg-Majorana (LZSM) level crossing model by using a microscopic approach to derive the relevant master equation. For an environment at zero temperature and weak dissipation, our microscopic approach confirms the independence of the survival probability on the decay rate that has been predicted earlier by the simple phenomenological LZSM model. For strong decay the microscopic approach predicts a notable increase of the survival probability, which signals dynamical decoupling of the initial state. Unlike the phenomenological model, our approach makes it possible to study the dependence of the system dynamics on the temperature of the environment. In the limit of very high temperature we find that the dynamics is characterized by a very strong dynamical decoupling of the initial state--the temperature-induced quantum Zeno effect.
Dissipation, dephasing and quantum Darwinism in qubit systems with random unitary interactions
NASA Astrophysics Data System (ADS)
Balaneskovic, Nenad; Mendler, Marc
2016-09-01
We investigate the influence of dissipation and decoherence on quantum Darwinism by generalizing Zurek's original qubit model of decoherence and the establishment of pointer states [W.H. Zurek, Nat. Phys. 5, 181 (2009); see also arXiv: quant-ph/0707.2832v1, pp. 14-19.]. Our model allows for repeated multiple qubit-qubit couplings between system and environment which are described by randomly applied two-qubit quantum operations inducing entanglement, dissipation and dephasing. The resulting stationary qubit states of system and environment are investigated. They exhibit the intricate influence of entanglement generation, dissipation and dephasing on this characteristic quantum phenomenon.
Dissipation-enabled efficient excitation transfer from a single photon to a single quantum emitter
NASA Astrophysics Data System (ADS)
Trautmann, N.; Alber, G.
2016-05-01
We propose a scheme for triggering a dissipation-dominated highly efficient excitation transfer from a single-photon wave packet to a single quantum emitter. This single-photon-induced optical pumping turns dominant dissipative processes, such as spontaneous photon emission by the emitter or cavity decay, into valuable tools for quantum information processing and quantum communication. It works for an arbitrarily shaped single-photon wave packet with sufficiently small bandwidth provided a matching condition is satisfied which balances the dissipative rates involved. Our scheme does not require additional laser pulses or quantum feedback and does not rely on high finesse optical resonators. In particular, it can be used to enhance significantly the coupling of a single photon to a single quantum emitter implanted in a one-dimensional waveguide or even in a free space scenario. We demonstrate the usefulness of our scheme for building a deterministic quantum memory and a deterministic frequency converter between photonic qubits of different wavelengths.
A variational approach for dissipative quantum transport in a wide parameter space.
Zhang, Yu; Yam, ChiYung; Chen, GuanHua
2015-09-14
Recent development of theoretical method for dissipative quantum transport has achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport in a wide parameter space had not been established. In this work, a variational polaron theory for dissipative quantum transport in a wide range of electron-phonon coupling is developed. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting in an accurate and efficient method for the treatment of dissipative quantum transport with different electron-phonon coupling strength. Numerical benchmark calculation on a single site model coupled to one phonon mode is presented.
A variational approach for dissipative quantum transport in a wide parameter space
Zhang, Yu Kwok, YanHo; Chen, GuanHua; Yam, ChiYung
2015-09-14
Recent development of theoretical method for dissipative quantum transport has achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport in a wide parameter space had not been established. In this work, a variational polaron theory for dissipative quantum transport in a wide range of electron-phonon coupling is developed. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting in an accurate and efficient method for the treatment of dissipative quantum transport with different electron-phonon coupling strength. Numerical benchmark calculation on a single site model coupled to one phonon mode is presented.
Fokker-Planck-Boltzmann equation for dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Marsh, C. A.; Backx, G.; Ernst, M. H.
1997-05-01
The algorithm for Dissipative Particle Dynamics (DPD), as modified by Español and Warren, is used as a starting point for proving an H-theorem for the free energy and deriving hydrodynamic equations. Equilibrium and transport properties of the DPD fluid are explicitly calculated in terms of the system parameters for the continuous time version of the model.
Stochastic simulation of dissipation and non-Markovian effects in open quantum systems.
Lacroix, Denis
2008-04-01
The exact dynamics of a system coupled to an environment can be described by an integro-differential stochastic equation for the reduced density. The influence of the environment is incorporated through a mean field which is both stochastic and nonlocal in time and where the standard two-time correlation functions of the environment appear naturally. Since no approximation is made, the presented theory incorporates exactly dissipative and non-Markovian effects. Applications to the spin-boson model coupled to a heat bath with various coupling regimes and temperature show that the presented stochastic theory can be a valuable tool to simulate exactly the dynamics of open quantum systems. Links with the stochastic Schrödinger equation method and possible extensions to "imaginary time" propagation are discussed.
Dissipative time evolution of a chiral state after a quantum quench
NASA Astrophysics Data System (ADS)
Wolff, Stefan; Sheikhan, Ameneh; Kollath, Corinna
2016-10-01
We investigate the dynamics of fermionic atoms in a high-finesse optical resonator after a sudden switch on of the coupling between the atoms and the cavity. The atoms are additionally confined by optical lattices to a ladder geometry. The tunneling mechanism on a rung of a ladder is induced by a cavity-assisted Raman process. At long times after the quantum quench the arising steady state can carry a chiral current. In this work we employ exact diagonalization techniques on small system sizes to study the dissipative attractor dynamics after the quench towards the steady state and deviations of the properties of the steady state from predictions obtained by adiabatically eliminating the cavity mode.
Phase diagram and correlation functions of the two-dimensional dissipative quantum XY model
NASA Astrophysics Data System (ADS)
Hou, Changtao; Varma, Chandra M.
2016-11-01
The two-dimensional quantum XY model, with a Caldeira-Leggett form of dissipation, is applicable to the quantum-critical properties of diverse experimental systems, ranging from superconductor to insulator transitions, ferromagnetic and antiferromagnetic transitions in metals, to the loop-current order transition in cuprates. We solve the reexpression of this model in terms of orthogonal topological excitations, vortices, and a variety of instantons, by renormalization group methods. The calculations explain the extraordinary properties of the model discovered in Monte Carlo calculations: the product form of the quantum-critical fluctuations in space and time, a spatial correlation length proportional to the logarithm of the temporal correlation length near the transition from a disordered to a fully ordered state, and the occurrence of a phase with spatial order without temporal order. They are intimately related to the flow of the metric of time in relation to the metric of space, i.e., of the dynamical critical exponent z . These properties appear to be essential in understanding the strange metallic phase found in a variety of quantum-critical transitions as well as the accompanying high-temperature superconductivity.
Dynamical correlations after a quantum quench.
Essler, Fabian H L; Evangelisti, Stefano; Fagotti, Maurizio
2012-12-14
We consider dynamic (non-equal-time) correlation functions of local observables after a quantum quench. We show that, in the absence of long-range interactions in the final Hamiltonian, the dynamics is determined by the same ensemble that describes static (equal-time) correlations. For many integrable models, static correlation functions of local observables after a quantum quench relax to stationary values, which are described by a generalized Gibbs ensemble. The same generalized Gibbs ensemble then determines dynamic correlation functions, and the basic form of the fluctuation dissipation theorem holds, although the absorption and emission spectra are not simply related as in the thermal case. For quenches in the transverse field Ising chain, we derive explicit expressions for the time evolution of dynamic order parameter correlators after a quench.
Stochastic description of quantum Brownian dynamics
NASA Astrophysics Data System (ADS)
Yan, Yun-An; Shao, Jiushu
2016-08-01
Classical Brownian motion has well been investigated since the pioneering work of Einstein, which inspired mathematicians to lay the theoretical foundation of stochastic processes. A stochastic formulation for quantum dynamics of dissipative systems described by the system-plus-bath model has been developed and found many applications in chemical dynamics, spectroscopy, quantum transport, and other fields. This article provides a tutorial review of the stochastic formulation for quantum dissipative dynamics. The key idea is to decouple the interaction between the system and the bath by virtue of the Hubbard-Stratonovich transformation or Itô calculus so that the system and the bath are not directly entangled during evolution, rather they are correlated due to the complex white noises introduced. The influence of the bath on the system is thereby defined by an induced stochastic field, which leads to the stochastic Liouville equation for the system. The exact reduced density matrix can be calculated as the stochastic average in the presence of bath-induced fields. In general, the plain implementation of the stochastic formulation is only useful for short-time dynamics, but not efficient for long-time dynamics as the statistical errors go very fast. For linear and other specific systems, the stochastic Liouville equation is a good starting point to derive the master equation. For general systems with decomposable bath-induced processes, the hierarchical approach in the form of a set of deterministic equations of motion is derived based on the stochastic formulation and provides an effective means for simulating the dissipative dynamics. A combination of the stochastic simulation and the hierarchical approach is suggested to solve the zero-temperature dynamics of the spin-boson model. This scheme correctly describes the coherent-incoherent transition (Toulouse limit) at moderate dissipation and predicts a rate dynamics in the overdamped regime. Challenging problems
Quantum driven dissipative parametric oscillator in a blackbody radiation field
Pachón, Leonardo A.; Brumer, Paul
2014-01-15
We consider the general open system problem of a charged quantum oscillator confined in a harmonic trap, whose frequency can be arbitrarily modulated in time, that interacts with both an incoherent quantized (blackbody) radiation field and with an arbitrary coherent laser field. We assume that the oscillator is initially in thermodynamic equilibrium with its environment, a non-factorized initial density matrix of the system and the environment, and that at t = 0 the modulation of the frequency, the coupling to the incoherent and the coherent radiation are switched on. The subsequent dynamics, induced by the presence of the blackbody radiation, the laser field, and the frequency modulation, is studied in the framework of the influence functional approach. This approach allows incorporating, in analytic closed formulae, the non-Markovian character of the oscillator-environment interaction at any temperature as well the non-Markovian character of the blackbody radiation and its zero-point fluctuations. Expressions for the time evolution of the covariance matrix elements of the quantum fluctuations and the reduced density-operator are obtained.
Dissipative Particle Dynamics at Isoenthalpic Conditions Using Shardlow-Like Splitting Algorithms
2013-09-01
Dissipative Particle Dynamics With Energy Conservation. Europhys. Lett. 1997, 40 (2), 141. 2. Español , P. Dissipative Particle Dynamics With Energy...18. Ripoll, M.; Español , P.; Ernst, M. H. Dissipative Particle Dynamics with Energy Conservation: Heat Conduction. Int. J. Mod. Phys. C 1998, 9 (8
2013-09-01
Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like Splitting Algorithms by John K. Brennan and Martin...5066 ARL-TR-6583 September 2013 Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like Splitting...From - To) May 2010–February 2013 4. TITLE AND SUBTITLE Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like
Consistent scaling of thermal fluctuations in smoothed dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Vázquez-Quesada, Adolfo; Ellero, Marco; Español, Pep
2009-01-01
Dissipative particle dynamics (DPD) as a model of fluid particles suffers from the problem that it has no physical scale associated with the particles. Therefore, a DPD simulation requires an ambiguous fine-tuning of the model parameters with the physical parameters. A corrected version of DPD that does not suffer from this problem is smoothed dissipative particle dynamics (SDPD) [P. Español and M. Revenga, Phys. Rev. E 67, 026705 (2003)]. SDPD is, in fact, a version of the well-known smoothed particle hydrodynamics method, albeit with the proper inclusion of thermal fluctuations. Here, we show that SDPD produces the proper scaling of the fluctuations as the resolution of the simulation is varied. This is investigated in two problems: the Brownian motion of a spherical colloidal particle and a polymer molecule in suspension.
Consistent scaling of thermal fluctuations in smoothed dissipative particle dynamics.
Vázquez-Quesada, Adolfo; Ellero, Marco; Español, Pep
2009-01-21
Dissipative particle dynamics (DPD) as a model of fluid particles suffers from the problem that it has no physical scale associated with the particles. Therefore, a DPD simulation requires an ambiguous fine-tuning of the model parameters with the physical parameters. A corrected version of DPD that does not suffer from this problem is smoothed dissipative particle dynamics (SDPD) [P. Espanol and M. Revenga, Phys. Rev. E 67, 026705 (2003)]. SDPD is, in fact, a version of the well-known smoothed particle hydrodynamics method, albeit with the proper inclusion of thermal fluctuations. Here, we show that SDPD produces the proper scaling of the fluctuations as the resolution of the simulation is varied. This is investigated in two problems: the Brownian motion of a spherical colloidal particle and a polymer molecule in suspension.
Efficient Schmidt number scaling in dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Krafnick, Ryan C.; García, Angel E.
2015-12-01
Dissipative particle dynamics is a widely used mesoscale technique for the simulation of hydrodynamics (as well as immersed particles) utilizing coarse-grained molecular dynamics. While the method is capable of describing any fluid, the typical choice of the friction coefficient γ and dissipative force cutoff rc yields an unacceptably low Schmidt number Sc for the simulation of liquid water at standard temperature and pressure. There are a variety of ways to raise Sc, such as increasing γ and rc, but the relative cost of modifying each parameter (and the concomitant impact on numerical accuracy) has heretofore remained undetermined. We perform a detailed search over the parameter space, identifying the optimal strategy for the efficient and accuracy-preserving scaling of Sc, using both numerical simulations and theoretical predictions. The composite results recommend a parameter choice that leads to a speed improvement of a factor of three versus previously utilized strategies.
Dynamics of Phononic Dissipation at the Atomic Scale
NASA Astrophysics Data System (ADS)
Sevincli, Haldun; Mukhopadhay, Soma; Tugrul Senger, R.; Ciraci, Salim
2007-03-01
Dynamics of dissipation of a local phonon distribution to the bulk is a key issue in boundary lubrication and friction between sliding surfaces. We consider a highly excited molecule which interacts weakly with the substrate surface. We study different types of coupling and substrates having different types of dimensionality and phonon densities of states. We propose three different methods to solve the dynamics of the combined system, namely the equation of mation technique, Fano-Anderson method and the Green's function method. Using this theoretical framework we present an analysis of transient properties of energy dissipation via phonon discharge at the microscopic level. The methods allow the theoretical calculations to be extended to include any density of states for the substrate including experimental ones and any type of molecule that represent the lubricant or the asperity.
Quantum dynamics in strong fluctuating fields
NASA Astrophysics Data System (ADS)
Goychuk, Igor; Hänggi, Peter
A large number of multifaceted quantum transport processes in molecular systems and physical nanosystems, such as e.g. nonadiabatic electron transfer in proteins, can be treated in terms of quantum relaxation processes which couple to one or several fluctuating environments. A thermal equilibrium environment can conveniently be modelled by a thermal bath of harmonic oscillators. An archetype situation provides a two-state dissipative quantum dynamics, commonly known under the label of a spin-boson dynamics. An interesting and nontrivial physical situation emerges, however, when the quantum dynamics evolves far away from thermal equilibrium. This occurs, for example, when a charge transferring medium possesses nonequilibrium degrees of freedom, or when a strong time-dependent control field is applied externally. Accordingly, certain parameters of underlying quantum subsystem acquire stochastic character. This may occur, for example, for the tunnelling coupling between the donor and acceptor states of the transferring electron, or for the corresponding energy difference between electronic states which assume via the coupling to the fluctuating environment an explicit stochastic or deterministic time-dependence. Here, we review the general theoretical framework which is based on the method of projector operators, yielding the quantum master equations for systems that are exposed to strong external fields. This allows one to investigate on a common basis, the influence of nonequilibrium fluctuations and periodic electrical fields on those already mentioned dynamics and related quantum transport processes. Most importantly, such strong fluctuating fields induce a whole variety of nonlinear and nonequilibrium phenomena. A characteristic feature of such dynamics is the absence of thermal (quantum) detailed balance.ContentsPAGE1. Introduction5262. Quantum dynamics in stochastic fields531 2.1. Stochastic Liouville equation531 2.2. Non-Markovian vs. Markovian discrete
Quantum Simulation for Open-System Dynamics
NASA Astrophysics Data System (ADS)
Wang, Dong-Sheng; de Oliveira, Marcos Cesar; Berry, Dominic; Sanders, Barry
2013-03-01
Simulations are essential for predicting and explaining properties of physical and mathematical systems yet so far have been restricted to classical and closed quantum systems. Although forays have been made into open-system quantum simulation, the strict algorithmic aspect has not been explored yet is necessary to account fully for resource consumption to deliver bounded-error answers to computational questions. An open-system quantum simulator would encompass classical and closed-system simulation and also solve outstanding problems concerning, e.g. dynamical phase transitions in non-equilibrium systems, establishing long-range order via dissipation, verifying the simulatability of open-system dynamics on a quantum Turing machine. We construct an efficient autonomous algorithm for designing an efficient quantum circuit to simulate many-body open-system dynamics described by a local Hamiltonian plus decoherence due to separate baths for each particle. The execution time and number of gates for the quantum simulator both scale polynomially with the system size. DSW funded by USARO. MCO funded by AITF and Brazilian agencies CNPq and FAPESP through Instituto Nacional de Ciencia e Tecnologia-Informacao Quantica (INCT-IQ). DWB funded by ARC Future Fellowship (FT100100761). BCS funded by AITF, CIFAR, NSERC and USARO.
Sanz, A.S.; Martínez-Casado, R.; Peñate-Rodríguez, H.C.; Rojas-Lorenzo, G.; Miret-Artés, S.
2014-08-15
Classical viscid media are quite common in our everyday life. However, we are not used to find such media in quantum mechanics, and much less to analyze their effects on the dynamics of quantum systems. In this regard, the Caldirola–Kanai time-dependent Hamiltonian constitutes an appealing model, accounting for friction without including environmental fluctuations (as it happens, for example, with quantum Brownian motion). Here, a Bohmian analysis of the associated friction dynamics is provided in order to understand how a hypothetical, purely quantum viscid medium would act on a wave packet from a (quantum) hydrodynamic viewpoint. To this purpose, a series of paradigmatic contexts have been chosen, such as the free particle, the motion under the action of a linear potential, the harmonic oscillator, or the superposition of two coherent wave packets. Apart from their analyticity, these examples illustrate interesting emerging behaviors, such as localization by “quantum freezing” or a particular type of quantum–classical correspondence. The reliability of the results analytically determined has been checked by means of numerical simulations, which has served to investigate other problems lacking of such analyticity (e.g., the coherent superpositions). - Highlights: • A dissipative Bohmian approach is developed within the Caldirola–Kanai model. • Some simple yet physically insightful systems are then studied analytically. • Dissipation leads to spatial localization in free-force regimes. • Under the action of linear forces, dissipation leads to uniform motion. • In harmonic potentials, the system decays unavoidable to the well minimum.
Dissipative particle dynamics model for colloid transport in porous media
Pan, W.; Tartakovsky, A. M.
2013-08-01
We present that the transport of colloidal particles in porous media can be effectively modeled with a new formulation of dissipative particle dynamics, which augments standard DPD with non-central dissipative shear forces between particles while preserving angular momentum. Our previous studies have demonstrated that the new formulation is able to capture accurately the drag forces as well as the drag torques on colloidal particles that result from the hydrodynamic retardation effect. In the present work, we use the new formulation to study the contact efficiency in colloid filtration in saturated porous media. Note that the present model include all transport mechanisms simultaneously, including gravitational sedimentation, interception and Brownian diffusion. Our results of contact efficiency show a good agreement with the predictions of the correlation equation proposed by Tufenkji and EliMelech, which also incorporate all transport mechanisms simultaneously without the additivity assumption.
Transport dynamics and dissipation in polariton ring condensates and cold atoms
NASA Astrophysics Data System (ADS)
Daley, Andrew
Recent progress in experiments has opened new contexts in which to observe and explore out-of-equilibrium quantum transport dynamics. On the side of cold atoms, significant advances are made possibile by the ability to control and measure atomic dynamics time-dependently, as well as to explore the effects of strong interactions. This is especially true in recent experiments with quantum gas microscopes, which now provide single-site and single atom measurement and control. At the same time, new methods for control and longer coherence times have been realised in condensates of exciton polaritons. This has enabled the development of ring geometries for these systems, and corresponding quantised circulation. I will discuss our recent theoretical work looking at the interplay between coherent dynamics and dissipation in these systems. For polaritons in a ring trap, half-quantum vortices are allowed in which there is a phase rotation of π and a corresponding polarisation vector rotation of π around the ring. The observed half-quantum state in current experiments is novel, in that the handedness of the spin flips from one side of the ring to the other side in addition to the rotation of the linear polarization component. This type of state is not possible for vortices in a simply connected geometry, and we investigate how the interplay between the polariton production and dissipation can give rise to this state in a ring trap. I will also discuss the transport dynamics of cold atoms in tilted optical lattices, in the presence of decoherence from sources including spontaneous emissions.
Quantum Noise from Reduced Dynamics
NASA Astrophysics Data System (ADS)
Vacchini, Bassano
2016-07-01
We consider the description of quantum noise within the framework of the standard Copenhagen interpretation of quantum mechanics applied to a composite system environment setting. Averaging over the environmental degrees of freedom leads to a stochastic quantum dynamics, described by equations complying with the constraints arising from the statistical structure of quantum mechanics. Simple examples are considered in the framework of open system dynamics described within a master equation approach, pointing in particular to the appearance of the phenomenon of decoherence and to the relevance of quantum correlation functions of the environment in the determination of the action of quantum noise.
Dissipation dynamic and residue distribution of flusilazole in mandarin.
Wang, Chen; Qiu, Lihong; Zhao, Huiyu; Wang, Kai; Zhang, Hongyan
2013-11-01
In this paper, dissipation dynamic and terminal residue of flusilazole in mandarin and soil, as well as residue distribution of flusilazole in mandarin, were studied at three sites in China. Mandarin peel, mandarin pulp, whole mandarin, and soil samples were extracted by acetonitrile, cleaned up with dispersive solid-phase extraction, then analyzed by gas chromatography-mass spectrometry. The dissipation half-lives of flusilazole in mandarin and soil at all three experiment sites were 6.3-8.4 days and 5.5-13.4 days, respectively, with the exception of the soil dissipation at the Hunan site, which showed an increase-decrease process. Flusilazole residue levels in whole mandarin were all below 0.1 mg/kg on 14 days after the last application. Terminal residue study showed that flusilazole was mostly distributed in mandarin peel, which indicates minimal risk for eating mandarin pulp. These results could provide guidance for the proper and safe use of flusilazole on citrus fruits, and further our understanding of pesticide distribution in citrus fruits.
NASA Astrophysics Data System (ADS)
Arce, Julio Cesar
This work focuses on time-dependent quantum theory and methods for the study of the spectra and dynamics of atomic and molecular systems. Specifically, we have addressed the following two problems: (1) Development of a time-dependent spectral method for the construction of spectra of simple quantum systems. This includes the calculation of eigenenergies, the construction of bound and continuum eigenfunctions, and the calculation of photo cross-sections. Computational applications include the quadrupole photoabsorption spectra and dissociation cross-sections of molecular hydrogen from various vibrational states in its ground electronic potential-energy curve. This method is seen to provide an advantageous alternative, both from the computational and conceptual point of view, to existing standard methods. (2) Explicit time-dependent formulation of photoabsorption processes -- Analytical solutions of the time-dependent Schrodinger equation are constructed and employed for the calculation of probability densities, momentum distributions, fluxes, transition rates, expectation values and correlation functions. These quantities are seen to establish the link between the dynamics and the calculated, or measured, spectra and cross-sections, and to clarify the dynamical nature of the excitation, transition and ejection processes. Numerical calculations on atomic and molecular hydrogen corroborate and complement the previous results, allowing the identification of different regimes during the photoabsorption process.
NASA Astrophysics Data System (ADS)
Arce, Julio Cesar
1992-01-01
This work focuses on time-dependent quantum theory and methods for the study of the spectra and dynamics of atomic and molecular systems. Specifically, we have addressed the following two problems: (i) Development of a time-dependent spectral method for the construction of spectra of simple quantum systems--This includes the calculation of eigenenergies, the construction of bound and continuum eigenfunctions, and the calculation of photo cross-sections. Computational applications include the quadrupole photoabsorption spectra and dissociation cross-sections of molecular hydrogen from various vibrational states in its ground electronic potential -energy curve. This method is seen to provide an advantageous alternative, both from the computational and conceptual point of view, to existing standard methods. (ii) Explicit time-dependent formulation of photoabsorption processes --Analytical solutions of the time-dependent Schrodinger equation are constructed and employed for the calculation of probability densities, momentum distributions, fluxes, transition rates, expectation values and correlation functions. These quantities are seen to establish the link between the dynamics and the calculated, or measured, spectra and cross-sections, and to clarify the dynamical nature of the excitation, transition and ejection processes. Numerical calculations on atomic and molecular hydrogen corroborate and complement the previous results, allowing the identification of different regimes during the photoabsorption process.
Smoothed dissipative particle dynamics with angular momentum conservation
Müller, Kathrin Fedosov, Dmitry A. Gompper, Gerhard
2015-01-15
Smoothed dissipative particle dynamics (SDPD) combines two popular mesoscopic techniques, the smoothed particle hydrodynamics and dissipative particle dynamics (DPD) methods, and can be considered as an improved dissipative particle dynamics approach. Despite several advantages of the SDPD method over the conventional DPD model, the original formulation of SDPD by Español and Revenga (2003) [9], lacks angular momentum conservation, leading to unphysical results for problems where the conservation of angular momentum is essential. To overcome this limitation, we extend the SDPD method by introducing a particle spin variable such that local and global angular momentum conservation is restored. The new SDPD formulation (SDPD+a) is directly derived from the Navier–Stokes equation for fluids with spin, while thermal fluctuations are incorporated similarly to the DPD method. We test the new SDPD method and demonstrate that it properly reproduces fluid transport coefficients. Also, SDPD with angular momentum conservation is validated using two problems: (i) the Taylor–Couette flow with two immiscible fluids and (ii) a tank-treading vesicle in shear flow with a viscosity contrast between inner and outer fluids. For both problems, the new SDPD method leads to simulation predictions in agreement with the corresponding analytical theories, while the original SDPD method fails to capture properly physical characteristics of the systems due to violation of angular momentum conservation. In conclusion, the extended SDPD method with angular momentum conservation provides a new approach to tackle fluid problems such as multiphase flows and vesicle/cell suspensions, where the conservation of angular momentum is essential.
Smoothed dissipative particle dynamics with angular momentum conservation
NASA Astrophysics Data System (ADS)
Müller, Kathrin; Fedosov, Dmitry A.; Gompper, Gerhard
2015-01-01
Smoothed dissipative particle dynamics (SDPD) combines two popular mesoscopic techniques, the smoothed particle hydrodynamics and dissipative particle dynamics (DPD) methods, and can be considered as an improved dissipative particle dynamics approach. Despite several advantages of the SDPD method over the conventional DPD model, the original formulation of SDPD by Español and Revenga (2003) [9], lacks angular momentum conservation, leading to unphysical results for problems where the conservation of angular momentum is essential. To overcome this limitation, we extend the SDPD method by introducing a particle spin variable such that local and global angular momentum conservation is restored. The new SDPD formulation (SDPD+a) is directly derived from the Navier-Stokes equation for fluids with spin, while thermal fluctuations are incorporated similarly to the DPD method. We test the new SDPD method and demonstrate that it properly reproduces fluid transport coefficients. Also, SDPD with angular momentum conservation is validated using two problems: (i) the Taylor-Couette flow with two immiscible fluids and (ii) a tank-treading vesicle in shear flow with a viscosity contrast between inner and outer fluids. For both problems, the new SDPD method leads to simulation predictions in agreement with the corresponding analytical theories, while the original SDPD method fails to capture properly physical characteristics of the systems due to violation of angular momentum conservation. In conclusion, the extended SDPD method with angular momentum conservation provides a new approach to tackle fluid problems such as multiphase flows and vesicle/cell suspensions, where the conservation of angular momentum is essential.
A stochastic boundary forcing for dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Altenhoff, Adrian M.; Walther, Jens H.; Koumoutsakos, Petros
2007-07-01
The method of dissipative particle dynamics (DPD) is an effective, coarse grained model of the hydrodynamics of complex fluids. DPD simulations of wall-bounded flows are however often associated with spurious fluctuations of the fluid properties near the wall. We present a novel stochastic boundary forcing for DPD simulations of wall-bounded flows, based on the identification of fluctuations in simulations of the corresponding homogeneous system at equilibrium. The present method is shown to enforce accurately the no-slip boundary condition, while minimizing spurious fluctuations of material properties, in a number of benchmark problems.
Dissipative Particle Dynamics interaction parameters from ab initio calculations
NASA Astrophysics Data System (ADS)
Sepehr, Fatemeh; Paddison, Stephen J.
2016-02-01
Dissipative Particle Dynamics (DPD) is a commonly employed coarse-grained method to model complex systems. Presented here is a pragmatic approach to connect atomic-scale information to the meso-scale interactions defined between the DPD particles or beads. Specifically, electronic structure calculations were utilized for the calculation of the DPD pair-wise interaction parameters. An implicit treatment of the electrostatic interactions for charged beads is introduced. The method is successfully applied to derive the parameters for a hydrated perfluorosulfonic acid ionomer with absorbed vanadium cations.
Numerical continuation methods for large-scale dissipative dynamical systems
NASA Astrophysics Data System (ADS)
Umbría, Juan Sánchez; Net, Marta
2016-11-01
A tutorial on continuation and bifurcation methods for the analysis of truncated dissipative partial differential equations is presented. It focuses on the computation of equilibria, periodic orbits, their loci of codimension-one bifurcations, and invariant tori. To make it more self-contained, it includes some definitions of basic concepts of dynamical systems, and some preliminaries on the general underlying techniques used to solve non-linear systems of equations by inexact Newton methods, and eigenvalue problems by means of subspace or Arnoldi iterations.
Dissipative-particle-dynamics model of biofilm growth
Xu, Zhijie; Meakin, Paul; Tartakovsky, Alexandre M.; Scheibe, Timothy D.
2011-06-13
A dissipative particle dynamics (DPD) model for the quantitative simulation of biofilm growth controlled by substrate (nutrient) consumption, advective and diffusive substrate transport, and hydrodynamic interactions with fluid flow (including fragmentation and reattachment) is described. The model was used to simulate biomass growth, decay, and spreading. It predicts how the biofilm morphology depends on flow conditions, biofilm growth kinetics, the rheomechanical properties of the biofilm and adhesion to solid surfaces. The morphology of the model biofilm depends strongly on its rigidity and the magnitude of the body force that drives the fluid over the biofilm.
Dissipative many-electron dynamics of ionizing systems.
Tremblay, Jean Christophe; Klinkusch, Stefan; Klamroth, Tillmann; Saalfrank, Peter
2011-01-28
In this paper, we perform many-electron dynamics using the time-dependent configuration-interaction method in its reduced density matrix formulation (ρ-TDCI). Dissipation is treated implicitly using the Lindblad formalism. To include the effect of ionization on the state-resolved dynamics, we extend a recently introduced heuristic model for ionizing states to the ρ-TDCI method, which leads to a reduced density matrix evolution that is not norm-preserving. We apply the new method to the laser-driven excitation of H(2) in a strongly dissipative environment, for which the state-resolve lifetimes are tuned to a few femtoseconds, typical for dynamics of adsorbate at metallic surfaces. Further testing is made on the laser-induced intramolecular charge transfer in a quinone derivative as a model for a molecular switch. A modified scheme to treat ionizing states is proposed to reduce the computational burden associated with the density matrix propagation, and it is thoroughly tested and compared to the results obtained with the former model. The new approach scales favorably (∼N(2)) with the number of configurations N used to represent the reduced density matrix in the ρ-TDCI method, as compared to a N(3) scaling for the model in its original form.
NASA Astrophysics Data System (ADS)
Flakowski, Jérôme; Osmanov, Maksym; Taj, David; Ã-ttinger, Hans Christian
2014-10-01
We contribute to a long-standing debate on the supposed failure of the fluctuation dissipation theorem (FDT) for the Davies master equation (DME), an important class of Lindblad quantum master equations, describing time-driven quantum systems weakly coupled to a heat bath. First we propose two simple and natural criteria on the driving which guarantee compatibility with the FDT. We show through our setting that, contrary to what is often stated in the literature, the DME is fully compatible with the FDT. We thus argue that the cause of the dispute lies in the adopted perturbation scheme, rather than in the Lindblad character of the master equation itself. We confirm our statement by proving that the Grabert master equation, first proposed by Grabert [Projection Operator Techniques in Nonequilibrium Statistical Mechanics (Springer, Berlin, 1982)] as an alternative linear dynamics fulfilling the FDT, is nothing else than the incriminated DME. Our criteria for the FDT can also be used in the analysis of the nonlinear thermodynamical master equation, first obtained in the Brownian motion limit [H. Grabert, Z. Phys. B 49, 161 (1982), 10.1007/BF01314753] and later independently rediscovered and generalized on purely thermodynamic grounds [H. C. Öttinger, Europhys. Lett. 94, 10006 (2011), 10.1209/0295-5075/94/10006].
Chaos in high-dimensional dissipative dynamical systems
Ispolatov, Iaroslav; Madhok, Vaibhav; Allende, Sebastian; Doebeli, Michael
2015-01-01
For dissipative dynamical systems described by a system of ordinary differential equations, we address the question of how the probability of chaotic dynamics increases with the dimensionality of the phase space. We find that for a system of d globally coupled ODE’s with quadratic and cubic non-linearities with randomly chosen coefficients and initial conditions, the probability of a trajectory to be chaotic increases universally from ~10−5 − 10−4 for d = 3 to essentially one for d ~ 50. In the limit of large d, the invariant measure of the dynamical systems exhibits universal scaling that depends on the degree of non-linearity, but not on the choice of coefficients, and the largest Lyapunov exponent converges to a universal scaling limit. Using statistical arguments, we provide analytical explanations for the observed scaling, universality, and for the probability of chaos. PMID:26224119
Decoherence and dissipation for a quantum system coupled to a local environment
NASA Technical Reports Server (NTRS)
Gallis, Michael R.
1994-01-01
Decoherence and dissipation in quantum systems has been studied extensively in the context of Quantum Brownian Motion. Effective decoherence in coarse grained quantum systems has been a central issue in recent efforts by Zurek and by Hartle and Gell-Mann to address the Quantum Measurement Problem. Although these models can yield very general classical phenomenology, they are incapable of reproducing relevant characteristics expected of a local environment on a quantum system, such as the characteristic dependence of decoherence on environment spatial correlations. I discuss the characteristics of Quantum Brownian Motion in a local environment by examining aspects of first principle calculations and by the construction of phenomenological models. Effective quantum Langevin equations and master equations are presented in a variety of representations. Comparisons are made with standard results such as the Caldeira-Leggett master equation.
Fujikura, Kyota; Shimizu, Akira
2016-07-01
For macroscopic quantum systems, we study what is measured when equilibrium fluctuations of macrovariables are measured in an ideal way that mimics classical ideal measurements as closely as possible. We find that the symmetrized time correlation is always obtained for such measurements. As an important consequence, we show that the fluctuation-dissipation theorem is partially violated as a relation between observed quantities in macroscopic quantum systems even if measurements are made in such an ideal way.
Anatomy of quantum critical wave functions in dissipative impurity problems
NASA Astrophysics Data System (ADS)
Blunden-Codd, Zach; Bera, Soumya; Bruognolo, Benedikt; Linden, Nils-Oliver; Chin, Alex W.; von Delft, Jan; Nazir, Ahsan; Florens, Serge
2017-02-01
Quantum phase transitions reflect singular changes taking place in a many-body ground state; however, computing and analyzing large-scale critical wave functions constitutes a formidable challenge. Physical insights into the sub-Ohmic spin-boson model are provided by the coherent-state expansion (CSE), which represents the wave function by a linear combination of classically displaced configurations. We find that the distribution of low-energy displacements displays an emergent symmetry in the absence of spontaneous symmetry breaking while experiencing strong fluctuations of the order parameter near the quantum critical point. Quantum criticality provides two strong fingerprints in critical low-energy modes: an algebraic decay of the average displacement and a constant universal average squeezing amplitude. These observations, confirmed by extensive variational matrix-product-state (VMPS) simulations and field theory arguments, offer precious clues into the microscopics of critical many-body states in quantum impurity models.
Nonconventional fluctuation dissipation process in non-Hamiltonian dynamical systems
NASA Astrophysics Data System (ADS)
Bianucci, Marco
2016-08-01
Here, we introduce a statistical approach derived from dynamics, for the study of the geophysical fluid dynamics phenomena characterized by a weak interaction among the variables of interest and the rest of the system. The approach is reminiscent of the one developed some years ago [M. Bianucci, R. Mannella, P. Grigolini and B. J. West, Phys. Rev. E 51, 3002 (1995)] to derive statistical mechanics of macroscopic variables on interest starting from Hamiltonian microscopic dynamics. However, in the present work, we are interested to generalize this approach beyond the context of the foundation of thermodynamics, in fact, we take into account the cases where the system of interest could be non-Hamiltonian (dissipative) and also the interaction with the irrelevant part can be of a more general type than Hamiltonian. As such example, we will refer to a typical case from geophysical fluid dynamics: the complex ocean-atmosphere interaction that gives rise to the El Niño Southern Oscillation (ENSO). Here, changing all the scales, the role of the “microscopic” system is played by the atmosphere, while the ocean (or some ocean variables) plays the role of the intrinsically dissipative macroscopic system of interest. Thus, the chaotic and divergent features of the fast atmosphere dynamics remains in the decaying properties of the correlation functions and of the response function of the atmosphere variables, while the exponential separation of the perturbed (or close) single trajectories does not play a direct role. In the present paper, we face this problem in the frame of a not formal Langevin approach, limiting our discussion to physically based rather than mathematics arguments. Elsewhere, we obtain these results via a much more formal procedure, using the Zwanzing projection method and some elements from the Lie Algebra field.
Smoothed dissipative particle dynamics model for polymer molecules in suspension
NASA Astrophysics Data System (ADS)
Litvinov, Sergey; Ellero, Marco; Hu, Xiangyu; Adams, Nikolaus A.
2008-06-01
We present a model for a polymer molecule in solution based on smoothed dissipative particle dynamics (SDPD) [Español and Revenga, Phys. Rev. E 67, 026705 (2003)]. This method is a thermodynamically consistent version of smoothed particle hydrodynamics able to discretize the Navier-Stokes equations and, at the same time, to incorporate thermal fluctuations according to the fluctuation-dissipation theorem. Within the framework of the method developed for mesoscopic multiphase flows by Hu and Adams [J. Comput. Phys. 213, 844 (2006)], we introduce additional finitely extendable nonlinear elastic interactions between particles that represent the beads of a polymer chain. In order to assess the accuracy of the technique, we analyze the static and dynamic conformational properties of the modeled polymer molecule in solution. Extensive tests of the method for the two-dimensional (2D) case are performed, showing good agreement with the analytical theory. Finally, the effect of confinement on the conformational properties of the polymer molecule is investigated by considering a 2D microchannel with gap H varying between 1 and 10μm , of the same order as the polymer gyration radius. Several SDPD simulations are performed for different chain lengths corresponding to N=20-100 beads, giving a universal behavior of the gyration radius RG and polymer stretch X as functions of the channel gap when normalized properly.
Dissipative effects in nonlinear Klein-Gordon dynamics
NASA Astrophysics Data System (ADS)
Plastino, A. R.; Tsallis, C.
2016-03-01
We consider dissipation in a recently proposed nonlinear Klein-Gordon dynamics that admits exact time-dependent solutions of the power-law form e_qi(kx-wt) , involving the q-exponential function naturally arising within the nonextensive thermostatistics (e_qz \\equiv [1+(1-q)z]1/(1-q) , with e_1^z=ez ). These basic solutions behave like free particles, complying, for all values of q, with the de Broglie-Einstein relations p=\\hbar k , E=\\hbar ω and satisfying a dispersion law corresponding to the relativistic energy-momentum relation E2 = c^2p2 + m^2c4 . The dissipative effects explored here are described by an evolution equation that can be regarded as a nonlinear generalization of the celebrated telegraph equation, unifying within one single theoretical framework the nonlinear Klein-Gordon equation, a nonlinear Schrödinger equation, and the power-law diffusion (porous-media) equation. The associated dynamics exhibits physically appealing traveling solutions of the q-plane wave form with a complex frequency ω and a q-Gaussian square modulus profile.
Area law for fixed points of rapidly mixing dissipative quantum systems
Brandão, Fernando G. S. L.; Cubitt, Toby S.; Lucia, Angelo; Michalakis, Spyridon; Perez-Garcia, David
2015-10-15
We prove an area law with a logarithmic correction for the mutual information for fixed points of local dissipative quantum system satisfying a rapid mixing condition, under either of the following assumptions: the fixed point is pure or the system is frustration free.
Unravelling coherent dynamics and energy dissipation in photosynthetic complexes by 2D spectroscopy.
Abramavicius, Darius; Voronine, Dmitri V; Mukamel, Shaul
2008-05-01
Spectroscopic studies of light harvesting and the subsequent energy conversion in photosynthesis can track quantum dynamics happening on the microscopic level. The Fenna-Matthews-Olson complex of the photosynthetic green sulfur bacteria Chlorobium tepidum is a prototype efficient light-harvesting antenna: it stores the captured photon energy in the form of excitons (collective excitations), which are subsequently converted to chemical energy with almost 100% efficiency. These excitons show an elaborate relaxation pattern involving coherent and incoherent pathways. We make use of the complex chirality and fundamental symmetries of multidimensional optical signals to design new sequences of ultrashort laser pulses that can distinguish between coherent quantum oscillations and incoherent energy dissipation during the exciton relaxation. The cooperative dynamical features, which reflect the coherent nature of excitations, are amplified. The extent of quantum oscillations and their timescales in photosynthesis can be readily extracted from the designed signals, showing that cooperativity is maintained during energy transport in the Fenna-Matthews-Olson complex. The proposed pulse sequences may also be applied to reveal information on the robustness of quantum states in the presence of fluctuating environments in other nanoscopic complexes and devices.
Unravelling Coherent Dynamics and Energy Dissipation in Photosynthetic Complexes by 2D Spectroscopy
Abramavicius, Darius; Voronine, Dmitri V.; Mukamel, Shaul
2008-01-01
Spectroscopic studies of light harvesting and the subsequent energy conversion in photosynthesis can track quantum dynamics happening on the microscopic level. The Fenna-Matthews-Olson complex of the photosynthetic green sulfur bacteria Chlorobium tepidum is a prototype efficient light-harvesting antenna: it stores the captured photon energy in the form of excitons (collective excitations), which are subsequently converted to chemical energy with almost 100% efficiency. These excitons show an elaborate relaxation pattern involving coherent and incoherent pathways. We make use of the complex chirality and fundamental symmetries of multidimensional optical signals to design new sequences of ultrashort laser pulses that can distinguish between coherent quantum oscillations and incoherent energy dissipation during the exciton relaxation. The cooperative dynamical features, which reflect the coherent nature of excitations, are amplified. The extent of quantum oscillations and their timescales in photosynthesis can be readily extracted from the designed signals, showing that cooperativity is maintained during energy transport in the Fenna-Matthews-Olson complex. The proposed pulse sequences may also be applied to reveal information on the robustness of quantum states in the presence of fluctuating environments in other nanoscopic complexes and devices. PMID:18192357
Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott
2016-02-01
Smoothed dissipative particle dynamics (SDPD) [P. Español and M. Revenga, Phys. Rev. E 67, 026705 (2003)] is a thermodynamically consistent particle-based continuum hydrodynamics solver that features scale-dependent thermal fluctuations. We obtain a new formulation of this stochastic method for ideal two-component mixtures through a discretization of the advection-diffusion equation with thermal noise in the concentration field. The resulting multicomponent approach is consistent with the interpretation of the SDPD particles as moving volumes of fluid and reproduces the correct fluctuations and diffusion dynamics. Subsequently, we provide a general multiscale multicomponent SDPD framework for simulations of molecularly miscible systems spanning length scales from nanometers to the non-fluctuating continuum limit. This approach reproduces appropriate equilibrium properties and is validated with simulation of simple one-dimensional diffusion across multiple length scales.
Evaluation of dynamical models: Dissipative synchronization and other techniques
NASA Astrophysics Data System (ADS)
Aguirre, Luis Antonio; Furtado, Edgar Campos; Tôrres, Leonardo A. B.
2006-12-01
Some recent developments for the validation of nonlinear models built from data are reviewed. Besides giving an overall view of the field, a procedure is proposed and investigated based on the concept of dissipative synchronization between the data and the model, which is very useful in validating models that should reproduce dominant dynamical features, like bifurcations, of the original system. In order to assess the discriminating power of the procedure, four well-known benchmarks have been used: namely, Duffing-Ueda, Duffing-Holmes, and van der Pol oscillators, plus the Hénon map. The procedure, developed for discrete-time systems, is focused on the dynamical properties of the model, rather than on statistical issues. For all the systems investigated, it is shown that the discriminating power of the procedure is similar to that of bifurcation diagrams—which in turn is much greater than, say, that of correlation dimension—but at a much lower computational cost.
Dissipative Quantum Tunneling of a Single Defect in a Submicron Bismuth Wire Below 1 K
NASA Astrophysics Data System (ADS)
Chun, Kookjin
The quantum mechanical problem of a particle tunneling in a double-well potential is of great theoretical and experimental interest. Interaction of the tunneling system with a dissipative environment can have a striking effect on the tunneling dynamics. A very interesting case is that of ohmic dissipation, which occurs when an atom tunnels in a metal in the presence of conduction electrons. We have studied the electrical resistance of submicron Bi wires at low temperature. Due to quantum interference of the conduction electrons, the resistance is highly sensitive to the motion of even a single scattering center. We observe discrete switching of the resistance due to the motion of bistable defects in the sample. We have measured the tunneling rates of a particular defect over the temperature range 0.1-2 K and magnetic field range 0-7 T. The energy asymmetry, varepsilon, of this defect varied over the range 40-420 mK depending on the value of the magnetic field. The temperature dependence of the tunneling rates is qualitatively different for the cases k_{B}T << varepsilon and k_{B}T gg varepsilon . We observe that for k_{B }T << varepsilon, the fast rate (transition rate from upper state to lower state) is roughly temperature independent and the slow rate (transition from lower state to upper state) decreases exponentially, as expected from a simple picture of spontaneous emission and stimulated absorption. When k_{B }T gg varepsilon, however, both rates increase as the temperature is lowered, as predicted by dissipative quantum tunneling theory. We fit our data to the theory and discuss the defect-electron bath coupling parameter alpha, and the renormalized tunneling matrix element Delta_{ rm r}. We have also studied the effect of Joule heating on the dynamics of the defect in the same sample. The ratio of the fast and slow transition rates of a defect depends on temperature through the detailed balance relation, gamma_{f}/ gamma_{s} e^ {varepsilon / k_{B}T}. We
Dynamical structure of magnetized dissipative accretion flow around black holes
NASA Astrophysics Data System (ADS)
Sarkar, Biplob; Das, Santabrata
2016-09-01
We study the global structure of optically thin, advection dominated, magnetized accretion flow around black holes. We consider the magnetic field to be turbulent in nature and dominated by the toroidal component. With this, we obtain the complete set of accretion solutions for dissipative flows where bremsstrahlung process is regarded as the dominant cooling mechanism. We show that rotating magnetized accretion flow experiences virtual barrier around black hole due to centrifugal repulsion that can trigger the discontinuous transition of the flow variables in the form of shock waves. We examine the properties of the shock waves and find that the dynamics of the post-shock corona (PSC) is controlled by the flow parameters, namely viscosity, cooling rate and strength of the magnetic field, respectively. We separate the effective region of the parameter space for standing shock and observe that shock can form for wide range of flow parameters. We obtain the critical viscosity parameter that allows global accretion solutions including shocks. We estimate the energy dissipation at the PSC from where a part of the accreting matter can deflect as outflows and jets. We compare the maximum energy that could be extracted from the PSC and the observed radio luminosity values for several supermassive black hole sources and the observational implications of our present analysis are discussed.
The Dynamical Dipole Radiation in Dissipative Collisions with Exotic Beams
NASA Astrophysics Data System (ADS)
di Toro, M.; Colonna, M.; Rizzo, C.; Baran, V.
Heavy Ion Collisions (HIC) represent a unique tool to probe the in-medium nuclear interaction in regions away from saturation. In this work we present a selection of reaction observables in dissipative collisions particularly sensitive to the isovector part of the interaction, i.e. to the symmetry term of the nuclear Equation of State (EoS). At low energies the behavior of the symmetry energy around saturation influences dissipation and fragment production mechanisms. We will first discuss the recently observed Dynamical Dipole Radiation, due to a collective neutron-proton oscillation during the charge equilibration in fusion and deep-inelastic collisions. We will review in detail all the main properties, yield, spectrum, damping and angular distributions, revealing important isospin effects. Reactions induced by unstable 132Sn beams appear to be very promising tools to test the sub-saturation Isovector EoS. Predictions are also presented for deep-inelastic and fragmentation collisions induced by neutron rich projectiles. The importance of studying violent collisions with radioactive beams at low and Fermi energies is finally stressed.
Using dissipative particle dynamics to model micromechanics of responsive hydrogels
NASA Astrophysics Data System (ADS)
Alexeev, Alexander; Nikolov, Svetoslav; Fernandez de Las Nieves, Alberto
2015-03-01
The ability of responsive hydrogels to undergo complex and reversible shape transformations in response to external stimuli such as temperature, magnetic/electric fields, pH levels, and light intensity has made them the material of choice for tissue scaffolding, drug delivery, bio-adhesive, bio-sensing, and micro-sorting applications. The complex micromechanics and kinetics of these responsive networks however, currently hinders developments in the aforementioned areas. In order to better understand the mechanical properties of these systems and how they change during the volume transition we have developed a dissipative particle dynamics (DPD) model for responsive polymer networks. We use this model to examine the impact of the Flory-Huggins parameter on the bulk and shear moduli. In this fashion we evaluate how environmental factors can affect the micromechanical properties of these networks. Support from NSF CAREER Award (DMR-1255288) is gratefully acknowledged.
History-dependent dissipative vortex dynamics in superconducting arrays
Durkin, Malcolm; Mondragon-Shem, Ian; Eley, Serena Merteen; ...
2016-07-14
In this study, we perform current (I)-voltage (V) measurements on low resistance superconductor-normal-superconductor arrays in finite magnetic fields, focusing on the dilute vortex population regime. We observe significant deviations from predicted behavior, notably the absence of a differential resistance peak near the vortex depinning current, and a broad linear I-V region with an extrapolated I intercept equal to the depinning current. Comparing these results to an overdamped molecular vortex model, we find that this behavior can be explained by the presence of a history-dependent dissipative force. Lastly, this approach has not been considered previously, to our knowledge, yet it ismore » crucial for obtaining a correct description of the vortex dynamics in superconducting arrays.« less
History-dependent dissipative vortex dynamics in superconducting arrays
NASA Astrophysics Data System (ADS)
Durkin, Malcolm; Mondragon-Shem, Ian; Eley, Serena; Hughes, Taylor L.; Mason, Nadya
2016-07-01
We perform current (I )-voltage (V ) measurements on low resistance superconductor-normal-superconductor arrays in finite magnetic fields, focusing on the dilute vortex population regime. We observe significant deviations from predicted behavior, notably the absence of a differential resistance peak near the vortex depinning current, and a broad linear I -V region with an extrapolated I intercept equal to the depinning current. Comparing these results to an overdamped molecular vortex model, we find that this behavior can be explained by the presence of a history-dependent dissipative force. This approach has not been considered previously, to our knowledge, yet it is crucial for obtaining a correct description of the vortex dynamics in superconducting arrays.
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
Lei, Huan; Mundy, Christopher J.; Schenter, Gregory K.; Voulgarakis, Nikolaos
2015-05-21
Thermal fluctuation and hydrophobicity are two hallmarks of fluid hydrodynamics on the nano-scale. It is a challenge to consistently couple the small length and time scale phenomena associated with molecular interaction with larger scale phenomena. The development of this consistency is the essence of mesoscale science. In this study, we develop a nanoscale fluid model based on smoothed dissipative particle dynamics that accounts for the phenomena of associated with density fluctuations and hydrophobicity. We show consistency in the fluctuation spectrum across scales. In doing so, it is necessary to account for finite fluid particle size. Furthermore, we demonstrate that the present model can capture of the void probability and solvation free energy of apolar particles of different sizes. The present fluid model is well suited for a understanding emergent phenomena in nano-scale fluid systems.
Schmidt number effects in dissipative particle dynamics simulation of polymers.
Symeonidis, Vasileios; Karniadakis, George Em; Caswell, Bruce
2006-11-14
Simulation studies for dilute polymeric systems are presented using the dissipative particle dynamics method. By employing two different thermostats, the velocity-Verlet and Lowe's scheme, we show that the Schmidt number (S(c)) of the solvent strongly affects nonequilibrium polymeric quantities. The fractional extension of wormlike chains subjected to steady shear is obtained as a function of S(c). Poiseuille flow in microchannels for fixed polymer concentration and varying number of repeated units within a chain is simulated. The nonuniform concentration profiles and their dependence on S(c) are computed. We show the effect of the bounce-forward wall boundary condition on the depletion layer thickness. A power law fit of the velocity profile in stratified Poiseuille flow in a microchannel yields wall viscosities different from bulk values derived from uniform, steady plane Couette flow. The form of the velocity profiles indicates that the slip flow model is not useful for the conditions of these calculations.
Residues and dissipation dynamics of fosthiazate in tomato and soil.
Wu, Junxue; Wang, Kai; Zhang, Hongyan
2012-09-01
Residue dynamics of fosthiazate in tomato and soil was studied in this paper utilizing liquid chromatography with tandem mass spectrometry (LC-MS/MS). The field trial was conducted in three sites: Beijing, Liaoning, Hubei in China. Fosthiazate dissipated with the half-life 0.75-2.6 days in tomato or tomato plants and 2.5-11.6 days in soil. In the terminal residue experiment, no higher residue than 0.023 mg kg(-1) in tomato and 0.27 mg kg(-1) in soil was detected. Residues of fosthiazte in tomato were far below Japan maximum residue levels (0.2 mg kg(-1)).
History-dependent dissipative vortex dynamics in superconducting arrays
Durkin, Malcolm; Mondragon-Shem, Ian; Eley, Serena Merteen; Hughes, Taylor L.; Mason, Nadya
2016-07-14
In this study, we perform current (I)-voltage (V) measurements on low resistance superconductor-normal-superconductor arrays in finite magnetic fields, focusing on the dilute vortex population regime. We observe significant deviations from predicted behavior, notably the absence of a differential resistance peak near the vortex depinning current, and a broad linear I-V region with an extrapolated I intercept equal to the depinning current. Comparing these results to an overdamped molecular vortex model, we find that this behavior can be explained by the presence of a history-dependent dissipative force. Lastly, this approach has not been considered previously, to our knowledge, yet it is crucial for obtaining a correct description of the vortex dynamics in superconducting arrays.
NASA Astrophysics Data System (ADS)
Nahri, Davoud G.; Mathkoor, Faisal H. A.; Ooi, C. H. Raymond
2017-02-01
A dissipative quantum dot (QD)-cavity system, where the QD is initially prepared in the excited state with no photon in the cavity, coupled to a longitudinal acoustic (LA) phonon reservoir is studied using a numerically exact real-time path-integral approach. Three distinct dynamical regimes of weak (WC), strong (SC), and coherent coupling (CC) are discussed and more accurate conditions identifying them are presented. Our results show that to have the CC regime, which is characterized by clear vacuum Rabi oscillation (VRO), vacuum Rabi splitting (VRS) should be larger than the sum of the widths of the corresponding peaks. In order to distinguish between contributions of population decay and impure dephasing, induced by LA phonon bath and the dissipations, we propose a two-part phenomenological expression, corresponding to the population decay and impure dephasing, which fits the QD-cavity decay curves perfectly and is used to calculate the corresponding spectra. We demonstrate that the effective population decay rate (the emission rate) increases from the carrier recombination rate to a maximum value, which is the mean of the QD and cavity dissipation rates, with QD-cavity coupling strength. To study the role of the effective impure dephasing rate on the width of the central peak of the spectra we introduce a quantity that can also be applied in determining the distinct coupling regimes. This quantity enables us to identify the onset of the SC regime as the point where the impure dephasing term begins to contribute to the central band of the spectrum significantly, as a result of the existence of VRO with a very small frequency (unclear VRO) at the corresponding decay curve. Its contribution to the width of the central peak increases with the coupling strength up to the onset of the CC regime, then reduces as a result of the appearance of sidebands in the spectra, which originates from clear VRO. The effective population decay and impure dephasing rate contribute
Nahri, Davoud G; Mathkoor, Faisal H A; Raymond Ooi, C H
2017-02-08
A dissipative quantum dot (QD)-cavity system, where the QD is initially prepared in the excited state with no photon in the cavity, coupled to a longitudinal acoustic (LA) phonon reservoir is studied using a numerically exact real-time path-integral approach. Three distinct dynamical regimes of weak (WC), strong (SC), and coherent coupling (CC) are discussed and more accurate conditions identifying them are presented. Our results show that to have the CC regime, which is characterized by clear vacuum Rabi oscillation (VRO), vacuum Rabi splitting (VRS) should be larger than the sum of the widths of the corresponding peaks. In order to distinguish between contributions of population decay and impure dephasing, induced by LA phonon bath and the dissipations, we propose a two-part phenomenological expression, corresponding to the population decay and impure dephasing, which fits the QD-cavity decay curves perfectly and is used to calculate the corresponding spectra. We demonstrate that the effective population decay rate (the emission rate) increases from the carrier recombination rate to a maximum value, which is the mean of the QD and cavity dissipation rates, with QD-cavity coupling strength. To study the role of the effective impure dephasing rate on the width of the central peak of the spectra we introduce a quantity that can also be applied in determining the distinct coupling regimes. This quantity enables us to identify the onset of the SC regime as the point where the impure dephasing term begins to contribute to the central band of the spectrum significantly, as a result of the existence of VRO with a very small frequency (unclear VRO) at the corresponding decay curve. Its contribution to the width of the central peak increases with the coupling strength up to the onset of the CC regime, then reduces as a result of the appearance of sidebands in the spectra, which originates from clear VRO. The effective population decay and impure dephasing rate contribute
Correspondence behavior of classical and quantum dissipative directed transport via thermal noise
NASA Astrophysics Data System (ADS)
Carlo, Gabriel G.; Ermann, Leonardo; Rivas, Alejandro M. F.; Spina, María E.
2016-04-01
We systematically study several classical-quantum correspondence properties of the dissipative modified kicked rotator, a paradigmatic ratchet model. We explore the behavior of the asymptotic currents for finite ℏeff values in a wide range of the parameter space. We find that the correspondence between the classical currents with thermal noise providing fluctuations of size ℏeff and the quantum ones without it is very good in general with the exception of specific regions. We systematically consider the spectra of the corresponding classical Perron-Frobenius operators and quantum superoperators. By means of an average distance between the classical and quantum sets of eigenvalues we find that the correspondence is unexpectedly quite uniform. This apparent contradiction is solved with the help of the Weyl-Wigner distributions of the equilibrium eigenvectors, which reveal the key role of quantum effects by showing surviving coherences in the asymptotic states.
Correspondence behavior of classical and quantum dissipative directed transport via thermal noise.
Carlo, Gabriel G; Ermann, Leonardo; Rivas, Alejandro M F; Spina, María E
2016-04-01
We systematically study several classical-quantum correspondence properties of the dissipative modified kicked rotator, a paradigmatic ratchet model. We explore the behavior of the asymptotic currents for finite ℏ_{eff} values in a wide range of the parameter space. We find that the correspondence between the classical currents with thermal noise providing fluctuations of size ℏ_{eff} and the quantum ones without it is very good in general with the exception of specific regions. We systematically consider the spectra of the corresponding classical Perron-Frobenius operators and quantum superoperators. By means of an average distance between the classical and quantum sets of eigenvalues we find that the correspondence is unexpectedly quite uniform. This apparent contradiction is solved with the help of the Weyl-Wigner distributions of the equilibrium eigenvectors, which reveal the key role of quantum effects by showing surviving coherences in the asymptotic states.
Entanglement effect in polymer melts by Dissipative Particle Dynamics (DPD)
NASA Astrophysics Data System (ADS)
Khani, Shaghayegh; Maia, Joao
2015-03-01
Dissipative Particle Dynamics (DPD) is a mesoscale simulation method that has shown a very good potential in modeling different soft matter systems from colloidal suspensions to highly entangled polymers. Like any other simulation technique DPD is associated with some deficiencies, for instance in the case of entangled polymers soft repulsions used in DPD allow particle overlap which may result in topology violations that prevent the correct capturing of the entanglement effect. Therefore, in the present work in order to properly reproduce the dynamics and viscoelastic properties of polymers the soft repulsions between the particles are substituted with a repulsive potential between non-adjacent bonds of different FENE chains. Also, DPD is a coarse-grained simulation method that can be used to model time and length scales longer than atomistic models; however, due to the existence of an upper level limit for the level of coarse graining this method is not applicable for the whole mesoscopic range. Thus, this work represents a new approach for tuning the level of coarse-graining by adjusting the simulation parameters. The ability of the method in capturing the entanglement effects is validated by simulating dynamic and viscoelastic properties of polymers.
Distortion and flow of nematics simulated by dissipative particle dynamics.
Zhao, Tongyang; Wang, Xiaogong
2014-05-14
In this study, we simulated distortion and flow of nematics by dissipative particle dynamics (DPD). The nematics were modeled by a binary mixture that contained rigid rods composed of DPD particles as mesogenic units and normal DPD particles as solvent. Elastic distortions were investigated by monitoring director orientation in space under influences of boundary anchoring and external fields. Static distortion demonstrated by the simulation is consistent with the prediction of Frank elastic theory. Spatial distortion profile of the director was examined to obtain static elastic constants. Rotational motions of the director under influence of the external field were simulated to understand the dynamic process. The rules revealed by the simulation are in a good agreement with those obtained from dynamical experiments and classical theories for nematics. Three Miesowicz viscosities were obtained by using external fields to hold the orientation of the rods in shear flows. The simulation showed that the Miesowicz viscosities have the order of ηc > ηa > ηb and the rotational viscosity γ1 is about two orders larger than the Miesowicz viscosity ηb. The DPD simulation correctly reproduced the non-monotonic concentration dependence of viscosity, which is a unique property of lyotropic nematic fluids. By comparing simulation results with classical theories for nematics and experiments, the DPD nematic fluids are proved to be a valid model to investigate the distortion and flow of lyotropic nematics.
EMTP modeling of IGBT dynamic performance for power dissipation estimation
Wong, C.
1995-12-31
A new approach to the modeling of IGBTs (Insulated Gate Bipolar Transistors) for EMTP (ElectroMagnetic Transients Program) simulation is developed. Other commercially available simulators, such a PSPICE, model the devices on an exact semiconductor physics basis. They suffer from large amount of CPU time for sinewave PWM inverter applications which require a complete cycle simulation at fundamental frequency with a small time step to cover the details of IGBT switching transients. This approach uses a curve-fitting method, combined with the point-by-point user-defined function available in EMTP, to model the dynamic characteristics of IGBTs. Since there is no device physics modeling required, the simulation is much faster than the conventional approach. The proposed method is applicable for both static and dynamic modeling, on a cycle-by-cycle basis, which is important for dynamical power dissipation and thermal analysis. The simulation includes IGBT turn-on and turn-off transients, IGBT saturation, free-wheeling diode forward voltage and reverse recovery characteristics. The simulation results are verified by comparison with the experimental measured data. Measurements show a close agreement with simulations.
Unbounded dynamics in dissipative flows: Rössler model
Barrio, Roberto Serrano, Sergio; Blesa, Fernando
2014-06-15
Transient chaos and unbounded dynamics are two outstanding phenomena that dominate in chaotic systems with large regions of positive and negative divergences. Here, we investigate the mechanism that leads the unbounded dynamics to be the dominant behavior in a dissipative flow. We describe in detail the particular case of boundary crisis related to the generation of unbounded dynamics. The mechanism of the creation of this crisis in flows is related to the existence of an unstable focus-node (or a saddle-focus) equilibrium point and the crossing of a chaotic invariant set of the system with the weak-(un)stable manifold of the equilibrium point. This behavior is illustrated in the well-known Rössler model. The numerical analysis of the system combines different techniques as chaos indicators, the numerical computation of the bounded regions, and bifurcation analysis. For large values of the parameters, the system is studied by means of Fenichel's theory, providing formulas for computing the slow manifold which influences the evolution of the first stages of the orbit.
Unbounded dynamics in dissipative flows: Rössler model.
Barrio, Roberto; Blesa, Fernando; Serrano, Sergio
2014-06-01
Transient chaos and unbounded dynamics are two outstanding phenomena that dominate in chaotic systems with large regions of positive and negative divergences. Here, we investigate the mechanism that leads the unbounded dynamics to be the dominant behavior in a dissipative flow. We describe in detail the particular case of boundary crisis related to the generation of unbounded dynamics. The mechanism of the creation of this crisis in flows is related to the existence of an unstable focus-node (or a saddle-focus) equilibrium point and the crossing of a chaotic invariant set of the system with the weak-(un)stable manifold of the equilibrium point. This behavior is illustrated in the well-known Rössler model. The numerical analysis of the system combines different techniques as chaos indicators, the numerical computation of the bounded regions, and bifurcation analysis. For large values of the parameters, the system is studied by means of Fenichel's theory, providing formulas for computing the slow manifold which influences the evolution of the first stages of the orbit.
Breuer; Huber; Petruccione
2000-05-01
The dynamics of periodically driven quantum systems coupled to a thermal environment is investigated. The interaction of the system with the external coherent driving field is taken into account exactly by making use of the Floquet picture. Treating the coupling to the environment within the Born-Markov approximation one finds a Pauli-type master equation for the diagonal elements of the reduced density matrix in the Floquet representation. The stationary solution of the latter yields a quasistationary, time-periodic density matrix which describes the long-time behavior of the system. Taking the example of a periodically driven particle in a box, the stationary solution is determined numerically for a wide range of driving amplitudes and temperatures. It is found that the quasistationary distribution differs substantially from a Boltzmann-type distribution at the temperature of the environment. For large driving fields it exhibits a plateau region describing a nearly constant population of a certain number of Floquet states. This number of Floquet states turns out to be nearly independent of the temperature. The plateau region is sharply separated from an exponential tail of the stationary distribution which expresses a canonical Boltzmann-type distribution over the mean energies of the Floquet states. These results are explained in terms of the structure of the matrix of transition rates for the dissipative quantum system. Investigating the corresponding classical, nonlinear Hamiltonian system, one finds that in the semiclassical range essential features of the quasistationary distribution can be understood from the structure of the underlying classical phase space.
Selective protected state preparation of coupled dissipative quantum emitters
Plankensteiner, D.; Ostermann, L.; Ritsch, H.; Genes, C.
2015-01-01
Inherent binary or collective interactions in ensembles of quantum emitters induce a spread in the energy and lifetime of their eigenstates. While this typically causes fast decay and dephasing, in many cases certain special entangled collective states with minimal decay can be found, which possess ideal properties for spectroscopy, precision measurements or information storage. We show that for a specific choice of laser frequency, power and geometry or a suitable configuration of control fields one can efficiently prepare these states. We demonstrate this by studying preparation schemes for strongly subradiant entangled states of a chain of dipole-dipole coupled emitters. The prepared state fidelity and its entanglement depth is further improved via spatial excitation phase engineering or tailored magnetic fields. PMID:26549501
On the dynamics of approximating schemes for dissipative nonlinear equations
NASA Technical Reports Server (NTRS)
Jones, Donald A.
1993-01-01
Since one can rarely write down the analytical solutions to nonlinear dissipative partial differential equations (PDE's), it is important to understand whether, and in what sense, the behavior of approximating schemes to these equations reflects the true dynamics of the original equations. Further, because standard error estimates between approximations of the true solutions coming from spectral methods - finite difference or finite element schemes, for example - and the exact solutions grow exponentially in time, this analysis provides little value in understanding the infinite time behavior of a given approximating scheme. The notion of the global attractor has been useful in quantifying the infinite time behavior of dissipative PDEs, such as the Navier-Stokes equations. Loosely speaking, the global attractor is all that remains of a sufficiently large bounded set in phase space mapped infinitely forward in time under the evolution of the PDE. Though the attractor has been shown to have some nice properties - it is compact, connected, and finite dimensional, for example - it is in general quite complicated. Nevertheless, the global attractor gives a way to understand how the infinite time behavior of approximating schemes such as the ones coming from a finite difference, finite element, or spectral method relates to that of the original PDE. Indeed, one can often show that such approximations also have a global attractor. We therefore only need to understand how the structure of the attractor for the PDE behaves under approximation. This is by no means a trivial task. Several interesting results have been obtained in this direction. However, we will not go into the details. We mention here that approximations generally lose information about the system no matter how accurate they are. There are examples that show certain parts of the attractor may be lost by arbitrary small perturbations of the original equations.
NASA Astrophysics Data System (ADS)
Goldstein, Sheldon; Struyve, Ward
2015-01-01
Non-relativistic de Broglie-Bohm theory describes particles moving under the guidance of the wave function. In de Broglie's original formulation, the particle dynamics is given by a first-order differential equation. In Bohm's reformulation, it is given by Newton's law of motion with an extra potential that depends on the wave function—the quantum potential—together with a constraint on the possible velocities. It was recently argued, mainly by numerical simulations, that relaxing this velocity constraint leads to a physically untenable theory. We provide further evidence for this by showing that for various wave functions the particles tend to escape the wave packet. In particular, we show that for a central classical potential and bound energy eigenstates the particle motion is often unbounded. This work seems particularly relevant for ways of simulating wave function evolution based on Bohm's formulation of the de Broglie-Bohm theory. Namely, the simulations may become unstable due to deviations from the velocity constraint.
Dynamics of nonrelativistic quantum mechanics
NASA Astrophysics Data System (ADS)
Efthimiades, Spyros
2017-01-01
We show that the wavefunction of an electron interacting with an electric potential is accurately represented by the superposition of plane waves that fulfills the total energy relation. As a result, we explicitly derive the Schrödinger, Pauli, Klein-Gordon, and Dirac equations. While the traditional nonrelativistic quantum dynamics is based on postulates, the dynamics we introduce is theoretically justified, in agreement with experimental measurements, and consistent with the fundamental theory of quantum electrodynamics.
Microscopic description for the emergence of collective dissipation in extended quantum systems
Galve, Fernando; Mandarino, Antonio; Paris, Matteo G. A.; Benedetti, Claudia; Zambrini, Roberta
2017-01-01
Practical implementations of quantum technology are limited by unavoidable effects of decoherence and dissipation. With achieved experimental control for individual atoms and photons, more complex platforms composed by several units can be assembled enabling distinctive forms of dissipation and decoherence, in independent heat baths or collectively into a common bath, with dramatic consequences for the preservation of quantum coherence. The cross-over between these two regimes has been widely attributed in the literature to the system units being farther apart than the bath’s correlation length. Starting from a microscopic model of a structured environment (a crystal) sensed by two bosonic probes, here we show the failure of such conceptual relation, and identify the exact physical mechanism underlying this cross-over, displaying a sharp contrast between dephasing and dissipative baths. Depending on the frequency of the system and, crucially, on its orientation with respect to the crystal axes, collective dissipation becomes possible for very large distances between probes, opening new avenues to deal with decoherence in phononic baths. PMID:28176835
Microscopic description for the emergence of collective dissipation in extended quantum systems
NASA Astrophysics Data System (ADS)
Galve, Fernando; Mandarino, Antonio; Paris, Matteo G. A.; Benedetti, Claudia; Zambrini, Roberta
2017-02-01
Practical implementations of quantum technology are limited by unavoidable effects of decoherence and dissipation. With achieved experimental control for individual atoms and photons, more complex platforms composed by several units can be assembled enabling distinctive forms of dissipation and decoherence, in independent heat baths or collectively into a common bath, with dramatic consequences for the preservation of quantum coherence. The cross-over between these two regimes has been widely attributed in the literature to the system units being farther apart than the bath’s correlation length. Starting from a microscopic model of a structured environment (a crystal) sensed by two bosonic probes, here we show the failure of such conceptual relation, and identify the exact physical mechanism underlying this cross-over, displaying a sharp contrast between dephasing and dissipative baths. Depending on the frequency of the system and, crucially, on its orientation with respect to the crystal axes, collective dissipation becomes possible for very large distances between probes, opening new avenues to deal with decoherence in phononic baths.
Microscopic description for the emergence of collective dissipation in extended quantum systems.
Galve, Fernando; Mandarino, Antonio; Paris, Matteo G A; Benedetti, Claudia; Zambrini, Roberta
2017-02-08
Practical implementations of quantum technology are limited by unavoidable effects of decoherence and dissipation. With achieved experimental control for individual atoms and photons, more complex platforms composed by several units can be assembled enabling distinctive forms of dissipation and decoherence, in independent heat baths or collectively into a common bath, with dramatic consequences for the preservation of quantum coherence. The cross-over between these two regimes has been widely attributed in the literature to the system units being farther apart than the bath's correlation length. Starting from a microscopic model of a structured environment (a crystal) sensed by two bosonic probes, here we show the failure of such conceptual relation, and identify the exact physical mechanism underlying this cross-over, displaying a sharp contrast between dephasing and dissipative baths. Depending on the frequency of the system and, crucially, on its orientation with respect to the crystal axes, collective dissipation becomes possible for very large distances between probes, opening new avenues to deal with decoherence in phononic baths.
Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics.
Petsev, Nikolai D; Leal, L Gary; Shell, M Scott
2015-01-28
We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling.
Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics
Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott
2015-01-28
We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling.
Dispersive and dissipative nonlinear structures in degenerate Fermi-Dirac Pauli quantum plasma
NASA Astrophysics Data System (ADS)
Sahu, Biswajit; Sinha, Anjana; Roychoudhury, Rajkumar
2016-09-01
We study the interplay between dispersion due to the electron degeneracy parameter and dissipation caused by plasma resistivity, in degenerate Fermi-Dirac Pauli quantum plasma. Considering relativistic degeneracy pressure for electrons, we investigate both arbitrary and small amplitude nonlinear structures. The corresponding trajectories are also plotted in the phase plane. The linear analysis for the dispersion relation yields interesting features. The present work is anticipated to be of physical relevance in the study of compact magnetized astrophysical objects like white dwarfs.
NASA Astrophysics Data System (ADS)
Lenarčič, Zala; Prosen, Tomaž
2015-03-01
A boundary-driven quantum master equation for a general inhomogeneous (nonintegrable) anisotropic Heisenberg spin-1 /2 chain, or an equivalent nearest neighbor interacting spinless fermion chain, is considered in the presence of a strong external field f . We present an exact closed form expression for large f asymptotics of the current in the presence of a pure incoherent source and sink dissipation at the boundaries. In application, we demonstrate an arbitrary large current rectification in the presence of the interaction.
Quantum Langevin approach for non-Markovian quantum dynamics of the spin-boson model
NASA Astrophysics Data System (ADS)
Zhou, Zheng-Yang; Chen, Mi; Yu, Ting; You, J. Q.
2016-02-01
One longstanding difficult problem in quantum dissipative dynamics is to solve the spin-boson model in a non-Markovian regime where a tractable systematic master equation does not exist. The spin-boson model is particularly important due to its crucial applications in quantum noise control and manipulation as well as its central role in developing quantum theories of open systems. Here we solve this important model by developing a non-Markovian quantum Langevin approach. By projecting the quantum Langevin equation onto the coherent states of the bath, we can derive a set of non-Markovian quantum Bloch equations containing no explicit noise variables. This special feature offers a tremendous advantage over the existing stochastic Schrödinger equations in numerical simulations. The physical significance and generality of our approach are briefly discussed.
Quantum entanglement generation in trapped ions using coherent and dissipative methods
NASA Astrophysics Data System (ADS)
Lin, Yiheng
Entangled states are a key resource in fundamental quantum physics, quantum cryptography, and quantum computation. In this thesis, we focus on the demonstrations of two novel methods to generate entanglement. First, we implement dissipative production of a maximally entangled steady state on two trapped ions. Dissipative and coherent processes are combined and implemented in a continuous time-independent fashion, analogous to optical pumping of atomic states, continuously driving the system towards the steady entangled state. With this method, we obtain a Bell state fidelity up to 0.89(2). Second, we propose and demonstrate a novel coherent process to confine quantum evolution in a subspace between an initial separable state and the target entangled state. We demonstrate this scheme on two and three ions obtaining a Bell state fidelity up to 0.992(2). Both of these methods are robust against certain types of experimental noise and decoherence. Additionally, we demonstrate sympathetic cooling of ion chains to near the ground state of motion with an electromagnetically-induced-transparency (EIT) method. This results in roughly an order of magnitude faster cooling time while using significantly lower laser power compared to the conventional resolved sideband cooling method. These techniques may be helpful for scaled-up quantum computing.
Nonlinear dynamics of drift structures in a magnetized dissipative plasma
Aburjania, G. D.; Rogava, D. L.; Kharshiladze, O. A.
2011-06-15
A study is made of the nonlinear dynamics of solitary vortex structures in an inhomogeneous magnetized dissipative plasma. A nonlinear transport equation for long-wavelength drift wave structures is derived with allowance for the nonuniformity of the plasma density and temperature equilibria, as well as the magnetic and collisional viscosity of the medium and its friction. The dynamic equation describes two types of nonlinearity: scalar (due to the temperature inhomogeneity) and vector (due to the convectively polarized motion of the particles of the medium). The equation is fourth order in the spatial derivatives, in contrast to the second-order Hasegawa-Mima equations. An analytic steady solution to the nonlinear equation is obtained that describes a new type of solitary dipole vortex. The nonlinear dynamic equation is integrated numerically. A new algorithm and a new finite difference scheme for solving the equation are proposed, and it is proved that the solution so obtained is unique. The equation is used to investigate how the initially steady dipole vortex constructed here behaves unsteadily under the action of the factors just mentioned. Numerical simulations revealed that the role of the vector nonlinearity is twofold: it helps the dispersion or the scalar nonlinearity (depending on their magnitude) to ensure the mutual equilibrium and, thereby, promote self-organization of the vortical structures. It is shown that dispersion breaks the initial dipole vortex into a set of tightly packed, smaller scale, less intense monopole vortices-alternating cyclones and anticyclones. When the dispersion of the evolving initial dipole vortex is weak, the scalar nonlinearity symmetrically breaks a cyclone-anticyclone pair into a cyclone and an anticyclone, which are independent of one another and have essentially the same intensity, shape, and size. The stronger the dispersion, the more anisotropic the process whereby the structures break: the anticyclone is more intense
Effective Floquet-Gibbs states for dissipative quantum systems
NASA Astrophysics Data System (ADS)
Shirai, Tatsuhiko; Thingna, Juzar; Mori, Takashi; Denisov, Sergey; Hänggi, Peter; Miyashita, Seiji
2016-05-01
A periodically driven quantum system, when coupled to a heat bath, relaxes to a non-equilibrium asymptotic state. In the general situation, the retrieval of this asymptotic state presents a rather non-trivial task. It was recently shown that in the limit of an infinitesimal coupling, using the so-called rotating wave approximation (RWA), and under strict conditions imposed on the time-dependent system Hamiltonian, the asymptotic state can attain the Gibbs form. A Floquet-Gibbs state is characterized by a density matrix which is diagonal in the Floquet basis of the system Hamiltonian with the diagonal elements obeying a Gibbs distribution, being parametrized by the corresponding Floquet quasi-energies. Addressing the non-adiabatic driving regime, upon using the Magnus expansion, we employ the concept of a corresponding effective Floquet Hamiltonian. In doing so we go beyond the conventionally used RWA and demonstrate that the idea of Floquet-Gibbs states can be extended to the realistic case of a weak, although finite system-bath coupling, herein termed effective Floquet-Gibbs states.
Dissipative effects in dipolar, quantum many-body systems
NASA Astrophysics Data System (ADS)
Safavi-Naini, Arghavan; Capogrosso-Sansone, Barbara; Rey, Ana Maria
2015-03-01
We use Quantum Monte Carlo simulations, by the Worm algorithm, to study the ground state phase diagram of two-dimensional, dipolar lattice bosons where each site is coupled, via density operators, to an external reservoir. A recent related study of the XXZ model with ohmic coupling to an external reservoir reported the existence of a bath-induced Bose metal phase in the ground state phase diagram away from half filling, and a Luttinger liquid and a charge density wave at half-filling. Our work extends this methodology to higher dimensional systems with long-range interactions. In the case of hard-core bosons, our method can be applied to experimental systems featuring dipolar fermionic molecules in the presence of losses. This work utilized the Janus supercomputer, which is supported by the NSF (award number CNS-0821794) and the University of Colorado Boulder, and is a joint effort with the University of Colorado Denver and the National Center for Atmospheric Research, as well as OU Supercomputing Center for Education and Research (OSCER) at the University of Oklahoma. NIST, JILA-NSF-PFC-1125844, NSF-PIF-1211914, NSF-PHY11-25915, ARO, ARO-DARPA-OLE, AFOSR, AFOSR-MURI.
Entropic dynamics: From entropy and information geometry to Hamiltonians and quantum mechanics
Caticha, Ariel; Bartolomeo, Daniel; Reginatto, Marcel
2015-01-13
Entropic Dynamics is a framework in which quantum theory is derived as an application of entropic methods of inference. There is no underlying action principle. Instead, the dynamics is driven by entropy subject to the appropriate constraints. In this paper we show how a Hamiltonian dynamics arises as a type of non-dissipative entropic dynamics. We also show that the particular form of the 'quantum potential' that leads to the Schrödinger equation follows naturally from information geometry.
Soddemann, Thomas; Dünweg, Burkhard; Kremer, Kurt
2003-10-01
We discuss dissipative particle dynamics as a thermostat to molecular dynamics, and highlight some of its virtues: (i) universal applicability irrespective of the interatomic potential; (ii) correct and unscreened reproduction of hydrodynamic correlations; (iii) stabilization of the numerical integration of the equations of motion; and (iv) the avoidance of a profile bias in boundary-driven nonequilibrium simulations of shear flow. Numerical results on a repulsive Lennard-Jones fluid illustrate our arguments.
The unifying role of dissipative action in the dynamic failure of solids
Grady, Dennis
2015-05-19
Dissipative action, the product of dissipation energy and transport time, is fundamental to the dynamic failure of solids. Invariance of the dissipative action underlies the fourth-power nature of structured shock waves observed in selected solid metals and compounds. Dynamic failure through shock compaction, tensile spall and adiabatic shear are also governed by a constancy of the dissipative action. This commonality underlying the various modes of dynamic failure is described and leads to deeper insights into failure of solids in the intense shock wave event. These insights are in turn leading to a better understanding of the shock deformation processes underlying the fourth-power law. Experimental result and material models encompassing the dynamic failure of solids are explored for the purpose of demonstrating commonalities leading to invariance of the dissipation action. As a result, calculations are extended to aluminum and uranium metals with the intent of predicting micro-scale energetics and spatial scales in the structured shock wave.
Quantum resistance standard accuracy close to the zero-dissipation state
Schopfer, F.; Poirier, W.
2013-08-14
We report on a comparison of four GaAs/AlGaAs-based quantum resistance standards using an original technique adapted from the well-known Wheatstone bridge. This work shows that the quantized Hall resistance at Landau level filling factor ν=2 can be reproducible with a relative uncertainty of 32×10{sup −12} in the dissipationless limit of the quantum Hall effect regime. In the presence of a very small dissipation characterized by a mean macroscopic longitudinal resistivity R{sub xx}(B) of a few μΩ, the discrepancy ΔR{sub H}(B) between quantum Hall resistors measured on the Hall plateau at magnetic induction B turns out to follow the so-called resistivity rule R{sub xx}(B)=αB×d(ΔR{sub H}(B))/dB. While the dissipation increases with the measurement current value, the coefficient α stays constant in the range investigated (40−120 μA). This result enlightens the impact of the dissipation emergence in the two-dimensional electron gas on the Hall resistance quantization, which is of major interest for the resistance metrology. The quantum Hall effect is used to realize a universal resistance standard only linked to the electron charge e and the Planck constant h and it is known to play a central role in the upcoming revised Système International of units. There are therefore fundamental and practical benefits in testing the reproducibility property of the quantum Hall effect with better and better accuracy.
Dissipative particle dynamics incorporating non-Markovian effect
NASA Astrophysics Data System (ADS)
Kinefuchi, Ikuya; Yoshimoto, Yuta; Takagi, Shu
2015-11-01
The coarse-graining methodology of molecular simulations is of great importance to analyze large-scale, complex hydrodynamic phenomena. In the present study, we derive the equation of motion for non-Markovian dissipative particle dynamics (NMDPD) by introducing the history effects on the time evolution of the system. Our formulation is based on the generalized Langevin equation, which describes the motions of the centers of mass of clusters comprising microscopic particles. The mean, friction, and fluctuating forces in the NMDPD model are directly constructed from an underlying MD system without any scaling procedure. For the validation of our formulation, we construct NMDPD models from high-density Lennard-Jones systems, in which the typical time scales of the coarse-grained particle motions and the fluctuating forces are not fully separable. The NMDPD models reproduce the temperatures, diffusion coefficients, and viscosities of the corresponding MD systems more accurately than the conventional DPD models based on a Markovian approximation. Our results suggest that the NMDPD method is a promising alternative for simulating mesoscale flows where a Markovian approximation is not valid.
Dissipative particle dynamics modeling of blood flow in arterial bifurcations
NASA Astrophysics Data System (ADS)
Li, Xuejin; Lykov, Kirill; Pivkin, Igor V.; Karniadakis, George Em
2013-11-01
The motion of a suspension of red blood cells (RBCs) flowing in bifurcations is investigated using both low-dimensional RBC (LD-RBC) and multiscale RBC (MS-RBC) models based on dissipative particle dynamics (DPD). The blood flow is first simulated in a symmetric geometry between the diverging and converging channels to satisfy the periodic flow assumption along the flow direction. The results show that the flowrate ratio of the daughter channels and the feed hematocrit level has considerable influence on blood-plasma separation. We also propose a new method to model the inflow and outflow boundaries for the blood flow simulations: the inflow at the inlet is duplicated from a fully developed flow generated by DPD fluid with periodic boundary conditions; the outflow in two adjacent regions near the outlet is controlled by adaptive forces to keep the flowrate and velocity gradient equal, while the particles leaving the microfluidic channel at the outlet at each time step are removed from the system. The simulation results of the developing flow match analytical solutions from continuum theory. Plasma skimming and the all-or-nothing phenomenon of RBCs in bifurcation have been investigated in the simulations. The simulation results are consistent with previous experimental results and theoretical predictions. This work is supported by the NIH Grant R01HL094270.
Modeling of mesoscopic electrokinetic phenomena using charged dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Deng, Mingge; Li, Zhen; Karniadakis, George
2015-11-01
In this work, we propose a charged dissipative particle dynamics (cDPD) model for investigation of mesoscopic electrokinetic phenomena. In particular, this particle-based method was designed to simulate micro- or nano- flows which governing by Poisson-Nernst-Planck (PNP) equation coupled with Navier-Stokes (NS) equation. For cDPD simulations of wall-bounded fluid systems, a methodology for imposing correct Dirichlet and Neumann boundary conditions for both PNP and NS equations is developed. To validate the present cDPD model and the corresponding boundary method, we perform cDPD simulations of electrostatic double layer (EDL) in the vicinity of a charged wall, and the results show good agreement with the mean-field theoretical solutions. The capacity density of a parallel plate capacitor in salt solution is also investigated with different salt concentration. Moreover, we utilize the proposed methodology to study the electroosmotic and electroosmotic/pressure-driven flow in a micro-channel. In the last, we simulate the dilute polyelectrolyte solution both in bulk and micro-channel, which show the flexibility and capability of this method in studying complex fluids. This work was sponsored by the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4) supported by DOE.
Finite-size effects in dissipative particle dynamics simulations.
Velázquez, María Eugenia; Gama-Goicochea, Armando; González-Melchor, Minerva; Neria, Maricela; Alejandre, José
2006-02-28
We have performed dissipative particle dynamics (DPD) simulations to evaluate the effect that finite size of transversal area has on stress anisotropy and interfacial tension. The simulations were carried out in one phase and two phases in parallelepiped cells. In one-phase simulations there is no finite-size effect on stress anisotropy when the simulation is performed using repulsive forces. However, an oscillatory function of stress anisotropy is found for attractive-repulsive interactions. In the case of liquid-liquid interfaces with repulsive interaction between molecules, there is only a small effect of surface area on interfacial tension when the simulations are performed using the Monte Carlo method at constant temperature and normal pressure. An important but artificial finite-size effect of interfacial area on surface tension is found in simulations in the canonical ensemble. Reliable results of interfacial tension from DPD simulations can be obtained using small systems, less than 2000 particles, when they interact exclusively with repulsive forces.
Dynamics of particle--turbulence interaction at the dissipative scales
NASA Astrophysics Data System (ADS)
Bocanegra Evans, Humberto; Dam, Nico; van de Water, Willem; JM Burgerscentrum Collaboration; COST Action, Particles in Turbulence Collaboration
2013-11-01
We present results of a novel phosphorescent tagging technique that is particularly suited to study particle-laden flows. Using phosphorescent droplets we probe the dynamics of particle-turbulence interaction at the dissipative length scales. We create a cloud of droplets within a chamber capable of generating homogeneous, isotropic turbulence with zero-mean flow. The droplets have Stokes number St ~ 1 , and the flow is intensely turbulent, with Reynolds number Reλ ~ 500 . Using a frequency-tripled Nd:YAG laser, we can tag a variety of volumes, such as thin slabs or thin, pencil-like cylinders. The droplets in these volumes glow during a few Kolmogorov times. By tracking the fate of pencil-shaped clouds using a fast (5 kHz) camera, we come to the surprising conclusion that they disperse faster than fluid elements, with a spreading rate reaching a maximum at St ~ 2 . Sheets of tagged droplets display preferential concentration at work; we discuss statistical quantities that can capture these events. This project is funded by Fundamenteel Onderzoek der Materie (FOM).
Switching quantum dynamics for fast stabilization
NASA Astrophysics Data System (ADS)
Scaramuzza, Pierre; Ticozzi, Francesco
2015-06-01
Control strategies for dissipative preparation of target quantum states, both pure and mixed, and subspaces are obtained by switching between a set of available semigroup generators. We show that the class of problems of interest can be recast, from a control-theoretic perspective, into a switched-stabilization problem for linear dynamics. This is attained by a suitable affine transformation of the coherence-vector representation. In particular, we propose and compare stabilizing time-based and state-based switching rules for entangled state preparation, showing that the latter not only ensure faster convergence with respect to nonswitching methods, but can be designed so that they retain robustness with respect to initialization, as long as the target is a pure state or a subspace.
Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study
Christov, Ivan P.
2016-08-15
In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the real time propagation can be a challenge.
Dissipative Particle Dynamics at Isoenergetic Conditions Using Shardlow-Like Splitting Algorithms
2013-09-01
Avalos and Mackie (3) and later independently by Español (4). The DPD-E method includes an additional equation-of-motion that provides a dynamic... Español (4). To conserve energy in a DPD simulation, an additional variable is introduced that characterizes the internal state of the particles. An...Dissipative Particle Dynamics With Energy Conservation. Europhys. Lett. 1997, 40, 141. 4. Español , P. Dissipative Particle Dynamics With Energy Conservation
Viscous dissipation in 2D fluid dynamics as a symplectic process and its metriplectic representation
NASA Astrophysics Data System (ADS)
Blender, Richard; Badin, Gualtiero
2017-03-01
Dissipation can be represented in Hamiltonian mechanics in an extended phase space as a symplectic process. The method uses an auxiliary variable which represents the excitation of unresolved dynamics and a Hamiltonian for the interaction between the resolved dynamics and the auxiliary variable. This method is applied to viscous dissipation (including hyper-viscosity) in a two-dimensional fluid, for which the dynamics is non-canonical. We derive a metriplectic representation and suggest a measure for the entropy of the system.
Control of the Dissipation Dynamics of Nanomechanical Resonator in Viscous Media
2013-09-24
REPORT Control of the dissipation dynamics of nanomechanical resonator in viscous media 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: This research aims...to quantify and control the dissipation dynamics of NEMS device in fluid and eventually recover the quality factor of NEMS device in fluid. Our...approach bases upon innovative modeling of micromechanical damping dynamics and exploitation of anti-damping in optomechanical resonators parametrically
NASA Astrophysics Data System (ADS)
Cohen, Doron
2000-08-01
We make the first steps toward a generic theory for energy spreading and quantum dissipation. The Wall formula for the calculation of friction in nuclear physics and the Drude formula for the calculation of conductivity in mesoscopic physics can be regarded as two special results of the general formulation. We assume a time-dependent Hamiltonian H(Q, P; x(t)) with x(t)=Vt, where V is slow in a classical sense. The rate-of-change V is not necessarily slow in the quantum-mechanical sense. The dynamical variables (Q, P) may represent some "bath" which is being parametrically driven by x. This bath may consist of just a few degrees of freedom, but it is assumed to be classically chaotic. In the case of either the Wall or Drude formula, the dynamical variables (Q, P) may represent a single particle. In any case, dissipation means an irreversible systematic growth of the (average) energy. It is associated with the stochastic spreading of energy across levels. The latter can be characterized by a transition probability kernel Pt(n ∣ m), where n and m are level indices. This kernel is the main object of the present study. In the classical limit, due to the (assumed) chaotic nature of the dynamics, the second moment of Pt(n ∣ m) exhibits a crossover from ballistic to diffusive behavior. In order to capture this crossover within quantum mechanics, a proper theory for the quantal Pt(n ∣ m) should be constructed. We define the V regimes where either perturbation theory or semiclassical considerations are applicable in order to establish this crossover. In the limit ℏ→0 perturbation theory does not apply but semiclassical considerations can be used in order to argue that there is detailed correspondence, during the crossover time, between the quantal and the classical Pt(n ∣ m). In the perturbative regime there is a lack of such correspondence. Namely, Pt(n ∣ m) is characterized by a perturbative core-tail structure that persists during the crossover time. In
Local dissipation effects in two-dimensional quantum Josephson junction arrays with a magnetic field
Polak, T.P.; Kopec, T.K.
2005-07-01
We study the quantum phase transitions in two-dimensional arrays of Josephson-couples junctions with short range Josephson couplings (given by the Josephson energy E{sub J}) and the charging energy E{sub C}. We map the problem onto the solvable quantum generalization of the spherical model that improves over the mean-field theory method. The arrays are placed on the top of a two-dimensional electron gas separated by an insulator. We include effects of the local dissipation in the presence of an external magnetic flux f={phi}/{phi}{sub 0} in square lattice for several rational fluxes f=0,(1/2),(1/3),(1/4), and (1/6). We also have examined the T=0 superconducting-insulator phase boundary as a function of a dissipation {alpha}{sub 0} for two different geometry of the lattice: square and triangular. We have found a critical value of the dissipation parameter independent on geometry of the lattice and presence magnetic field.
Boudjada, Nazim; Segal, Dvira
2014-11-26
We study in a unified manner the dissipative dynamics and the transfer of heat in the two-bath spin-boson model. We use the Bloch-Redfield (BR) formalism, valid in the very weak system-bath coupling limit, the noninteracting-blip approximation (NIBA), applicable in the nonadiabatic limit, and iterative, numerically exact path integral tools. These methodologies were originally developed for the description of the dissipative dynamics of a quantum system, and here they are applied to explore the problem of quantum energy transport in a nonequilibrium setting. Specifically, we study the weak-to-intermediate system-bath coupling regime at high temperatures kBT/ħ > ε, with ε as the characteristic frequency of the two-state system. The BR formalism and NIBA can lead to close results for the dynamics of the reduced density matrix (RDM) in a certain range of parameters. However, relatively small deviations in the RDM dynamics propagate into significant qualitative discrepancies in the transport behavior. Similarly, beyond the strict nonadiabatic limit NIBA's prediction for the heat current is qualitatively incorrect: It fails to capture the turnover behavior of the current with tunneling energy and temperature. Thus, techniques that proved meaningful for describing the RDM dynamics, to some extent even beyond their rigorous range of validity, should be used with great caution in heat transfer calculations, because qualitative-serious failures develop once parameters are mildly stretched beyond the techniques' working assumptions.
NASA Astrophysics Data System (ADS)
Kapit, Eliot; Chalker, John T.; Simon, Steven H.
2015-06-01
A physical realization of self-correcting quantum code would be profoundly useful for constructing a quantum computer. In this theoretical work, we provide a partial solution to major challenges preventing self-correcting quantum code from being engineered in realistic devices. We consider a variant of Kitaev's toric code coupled to propagating bosons, which induce a ranged interaction between anyonic defects. By coupling the primary quantum system to an engineered dissipation source through resonant energy transfer, we demonstrate a "rate barrier" which leads to a potentially enormous increase in the system's quantum-state lifetime through purely passive quantum error correction, even when coupled to an infinite-temperature bath. While our mechanism is not scalable to infinitely large systems, the maximum effective size can be very large, and it is fully compatible with active error-correction schemes. Our model uses only on-site and nearest-neighbor interactions and could be implemented in superconducting qubits. We sketch one such implementation at the end of this work.
Dissipative Particle Dynamics modeling of nanorod-polymer composites
NASA Astrophysics Data System (ADS)
Khani, Shaghayegh; Maia, Joao
2014-11-01
Recent years have seen a plethora of experimental methods for fabricating nanorod-polymer composites with enhanced physical and mechanical properties. The macroscopic properties of the composites are directly related to the dispersion and organization of the nanoparticles in the matrix. For instance, a significant improvement in the properties of the nanorod-polymer composites is observed upon formation of a percolating network. Thus, controlling the structure of the nanoparticles in the matrix will advance the technology in the field. One way of doing this is by adjusting the chemical interactions which is done through grafting polymer chains on the surface of the rods. Although the enthalpic interactions play the major role in such systems other entropic variables such as the dimension of the rods, density of grafting and etc. may influence the final morphology of the system. The recent developments in the computational techniques have paved the road for further understanding of the controlled assembly of nanorods in polymer matrices. In this study, Dissipative Particle Dynamics (DPD) is employed in order to investigate the effect of enthalpic and entopic variables on the phase behavior of the nanorod-polymer composites. DPD is a coarse-grained mesoscale method which has been found very promising in simulating multi component systems. The interaction parameter between the components of the systems can be mapped onto the Flory-Huggins χ-parameter via well-known Groot-Warren expression. The main goal of this work is to provide a phase diagram that can be used to guide the experiments in designing new materials.
Quantum charge transport and conformational dynamics of macromolecules.
Boninsegna, L; Faccioli, P
2012-06-07
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion which simultaneously describe the molecular and quantum transport dynamics, and obey the fluctuation/dissipation relationship. We also introduce an algorithm which yields the most probable molecular and quantum transport pathways in rare, thermally activated reactions. In the second part of the paper, we apply this formalism to simulate the propagation of a quantum charge during the collapse of a polymer from an initial stretched conformation to a final globular state. We find that the charge dynamics is quenched when the chain reaches a molten globule state. Using random matrix theory we show that this transition is due to an increase of quantum localization driven by dynamical disorder. We argue that collapsing conducting polymers may represent a physical realization of quantum small-world networks with dynamical rewiring probability.
Phillips, Carolyn L.; Anderson, Joshua A.; Glotzer, Sharon C.
2011-08-10
Highlights: {yields} Molecular Dynamics codes implemented on GPUs have achieved two-order of magnitude computational accelerations. {yields} Brownian Dynamics and Dissipative Particle Dynamics simulations require a large number of random numbers per time step. {yields} We introduce a method for generating small batches of pseudorandom numbers distributed over many threads of calculations. {yields} With this method, Dissipative Particle Dynamics is implemented on a GPU device without requiring thread-to-thread communication. - Abstract: Brownian Dynamics (BD), also known as Langevin Dynamics, and Dissipative Particle Dynamics (DPD) are implicit solvent methods commonly used in models of soft matter and biomolecular systems. The interaction of the numerous solvent particles with larger particles is coarse-grained as a Langevin thermostat is applied to individual particles or to particle pairs. The Langevin thermostat requires a pseudo-random number generator (PRNG) to generate the stochastic force applied to each particle or pair of neighboring particles during each time step in the integration of Newton's equations of motion. In a Single-Instruction-Multiple-Thread (SIMT) GPU parallel computing environment, small batches of random numbers must be generated over thousands of threads and millions of kernel calls. In this communication we introduce a one-PRNG-per-kernel-call-per-thread scheme, in which a micro-stream of pseudorandom numbers is generated in each thread and kernel call. These high quality, statistically robust micro-streams require no global memory for state storage, are more computationally efficient than other PRNG schemes in memory-bound kernels, and uniquely enable the DPD simulation method without requiring communication between threads.
NASA Astrophysics Data System (ADS)
He, Juan; Xu, Shuai; Ye, Liu
2015-11-01
A scheme for inducing multipartite entanglement revival in the dissipative environment is proposed, which is implemented by performing a prior quantum uncollapsing (weak measurements or measurement reversals) procedure on partial qubits of the system simultaneously. This procedure preferentially equips our initial states, and make them hold more powerful ability to actively battle against degradation of entanglement, even postpone entanglement sudden death (ESD). Notably, the effect is more pronounced for the multipartite system with less initial entanglement. In addition, we found that our scheme also works for the N-qubit GHZ-class state.
Dissipative stabilization of quantum-feedback-based multipartite entanglement with Rydberg atoms
NASA Astrophysics Data System (ADS)
Shao, Xiao-Qiang; Wu, Jin-Hui; Yi, Xue-Xi
2017-02-01
A quantum-feedback-based scheme is proposed for generating multipartite entanglements of Rydberg atoms in a dissipative optical cavity. The Rydberg blockade mechanism efficiently prevents double excitations of the system, which is further exploited to speed up the stabilization of an entangled state with a single Rydberg state excitation. The corresponding feedback operations are greatly simplified, since only one regular atom needs to be controlled during the whole process, irrespective of the number of particles. The form of the entangled state is also adjustable via regulating the Rabi frequencies of driving fields. Moreover, a relatively long lifetime of the high-lying Rydberg level guarantees a high fidelity in a realistic situation.
Quantum Process Tomography Quantifies Coherence Transfer Dynamics in Vibrational Exciton
Chuntonov, Lev; Ma, Jianqiang
2013-01-01
Quantum coherence has been a subject of great interest in many scientific disciplines. However, detailed characterization of the quantum coherence in molecular systems, especially its transfer and relaxation mechanisms, still remains a major challenge. The difficulties arise in part because the spectroscopic signatures of the coherence transfer are typically overwhelmed by other excitation relaxation processes. We use quantum process tomography (QPT) via two-dimensional infrared spectroscopy to quantify the rate of the elusive coherence transfer between two vibrational exciton states. QPT retrieves the dynamics of the dissipative quantum system directly from the experimental observables. It thus serves as an experimental alternative to theoretical models of the system-bath interaction, and can be used to validate these theories. Our results for coupled carbonyl groups of a diketone molecule in chloroform, used as a benchmark system, reveal the non-secular nature of the interaction between the exciton and the Markovian bath and open the door for the systematic studies of the dissipative quantum systems dynamics in detail. PMID:24079417
Dynamical quantum phase transitions (Review Article)
NASA Astrophysics Data System (ADS)
Zvyagin, A. A.
2016-11-01
During recent years the interest to dynamics of quantum systems has grown considerably. Quantum many body systems out of equilibrium often manifest behavior, different from the one predicted by standard statistical mechanics and thermodynamics in equilibrium. Since the dynamics of a many-body quantum system typically involve many excited eigenstates, with a non-thermal distribution, the time evolution of such a system provides an unique way for investigation of non-equilibrium quantum statistical mechanics. Last decade such new subjects like quantum quenches, thermalization, pre-thermalization, equilibration, generalized Gibbs ensemble, etc. are among the most attractive topics of investigation in modern quantum physics. One of the most interesting themes in the study of dynamics of quantum many-body systems out of equilibrium is connected with the recently proposed important concept of dynamical quantum phase transitions. During the last few years a great progress has been achieved in studying of those singularities in the time dependence of characteristics of quantum mechanical systems, in particular, in understanding how the quantum critical points of equilibrium thermodynamics affect their dynamical properties. Dynamical quantum phase transitions reveal universality, scaling, connection to the topology, and many other interesting features. Here we review the recent achievements of this quickly developing part of low-temperature quantum physics. The study of dynamical quantum phase transitions is especially important in context of their connection to the problem of the modern theory of quantum information, where namely non-equilibrium dynamics of many-body quantum system plays the major role.
Dynamics of nonlinear dissipative systems in the vicinity of resonance
NASA Astrophysics Data System (ADS)
Plaksiy, K. Y.; Mikhlin, Y. V.
2015-01-01
The behavior of nonlinear dissipative 2-DOF mechanical systems in the vicinity of resonance is studied in this paper. Namely, the free resonance vibrations of a spring-mass-pendulum system and the forced resonance vibrations of a 2-DOF dissipative system containing a nonlinear absorber are considered. A reduced system stated with respect to the system energy, the arctangent of the vibration amplitudes ratio, and the phase difference, is obtained and analyzed. The nonlinear normal mode approach is used in this analysis. Conditions for vibration energy localization are discussed.
Invariant Measures for Dissipative Dynamical Systems: Abstract Results and Applications
NASA Astrophysics Data System (ADS)
Chekroun, Mickaël D.; Glatt-Holtz, Nathan E.
2012-12-01
In this work we study certain invariant measures that can be associated to the time averaged observation of a broad class of dissipative semigroups via the notion of a generalized Banach limit. Consider an arbitrary complete separable metric space X which is acted on by any continuous semigroup { S( t)} t ≥ 0. Suppose that { S( t)} t ≥ 0 possesses a global attractor {{A}}. We show that, for any generalized Banach limit LIM T → ∞ and any probability distribution of initial conditions {{m}_0}, that there exists an invariant probability measure {{m}}, whose support is contained in {{A}}, such that intX \\varphi(x) d{m}(x) = \\underset{t rightarrow infty}LIM1/T int_0^T int_X \\varphi(S(t) x) d{m}_0(x) dt, for all observables φ living in a suitable function space of continuous mappings on X. This work is based on the framework of Foias et al. (Encyclopedia of mathematics and its applications, vol 83. Cambridge University Press, Cambridge, 2001); it generalizes and simplifies the proofs of more recent works (Wang in Disc Cont Dyn Syst 23(1-2):521-540, 2009; Lukaszewicz et al. in J Dyn Diff Eq 23(2):225-250, 2011). In particular our results rely on the novel use of a general but elementary topological observation, valid in any metric space, which concerns the growth of continuous functions in the neighborhood of compact sets. In the case when { S( t)} t ≥ 0 does not possess a compact absorbing set, this lemma allows us to sidestep the use of weak compactness arguments which require the imposition of cumbersome weak continuity conditions and thus restricts the phase space X to the case of a reflexive Banach space. Two examples of concrete dynamical systems where the semigroup is known to be non-compact are examined in detail. We first consider the Navier-Stokes equations with memory in the diffusion terms. This is the so called Jeffery's model which describes certain classes of viscoelastic fluids. We then consider a family of neutral delay differential
Relationship between dynamical entropy and energy dissipation far from thermodynamic equilibrium.
Green, Jason R; Costa, Anthony B; Grzybowski, Bartosz A; Szleifer, Igal
2013-10-08
Connections between microscopic dynamical observables and macroscopic nonequilibrium (NE) properties have been pursued in statistical physics since Boltzmann, Gibbs, and Maxwell. The simulations we describe here establish a relationship between the Kolmogorov-Sinai entropy and the energy dissipated as heat from a NE system to its environment. First, we show that the Kolmogorov-Sinai or dynamical entropy can be separated into system and bath components and that the entropy of the system characterizes the dynamics of energy dissipation. Second, we find that the average change in the system dynamical entropy is linearly related to the average change in the energy dissipated to the bath. The constant energy and time scales of the bath fix the dynamical relationship between these two quantities. These results provide a link between microscopic dynamical variables and the macroscopic energetics of NE processes.
Experimental realization of quantum zeno dynamics
Schäfer, F.; Herrera, I.; Cherukattil, S.; Lovecchio, C.; Cataliotti, F.S.; Caruso, F.; Smerzi, A.
2014-01-01
It is generally impossible to probe a quantum system without disturbing it. However, it is possible to exploit the back action of quantum measurements and strong couplings to tailor and protect the coherent evolution of a quantum system. This is a profound and counterintuitive phenomenon known as quantum Zeno dynamics. Here we demonstrate quantum Zeno dynamics with a rubidium Bose–Einstein condensate in a five-level Hilbert space. We harness measurements and strong couplings to dynamically disconnect different groups of quantum states and constrain the atoms to coherently evolve inside a two-level subregion. In parallel to the foundational importance due to the realization of a dynamical superselection rule and the theory of quantum measurements, this is an important step forward in protecting and controlling quantum dynamics and, broadly speaking, quantum information processing. PMID:24476716
Fractional-time quantum dynamics.
Iomin, Alexander
2009-08-01
Application of the fractional calculus to quantum processes is presented. In particular, the quantum dynamics is considered in the framework of the fractional time Schrödinger equation (SE), which differs from the standard SE by the fractional time derivative: partial differential/partial differentialt --> partial differential(alpha)/partial differentialt(alpha). It is shown that for alpha=1/2 the fractional SE is isospectral to a comb model. An analytical expression for the Green's functions of the systems are obtained. The semiclassical limit is discussed.
Analytical description of critical dynamics for two-dimensional dissipative nonlinear maps
NASA Astrophysics Data System (ADS)
Méndez-Bermúdez, J. A.; de Oliveira, Juliano A.; Leonel, Edson D.
2016-05-01
The critical dynamics near the transition from unlimited to limited action diffusion for two families of well known dissipative nonlinear maps, namely the dissipative standard and dissipative discontinuous maps, is characterized by the use of an analytical approach. The approach is applied to explicitly obtain the average squared action as a function of the (discrete) time and the parameters controlling nonlinearity and dissipation. This allows to obtain a set of critical exponents so far obtained numerically in the literature. The theoretical predictions are verified by extensive numerical simulations. We conclude that all possible dynamical cases, independently on the map parameter values and initial conditions, collapse into the universal exponential decay of the properly normalized average squared action as a function of a normalized time. The formalism developed here can be extended to many other different types of mappings therefore making the methodology generic and robust.
Quantum vortex dynamics in two-dimensional neutral superfluids
Wang, C.-C. Joseph; Duine, R. A.; MacDonald, A. H.
2010-01-15
We derive an effective action for the vortex-position degree of freedom in a superfluid by integrating out condensate phase- and density-fluctuation environmental modes. When the quantum dynamics of environmental fluctuations is neglected, we confirm the occurrence of the vortex Magnus force and obtain an expression for the vortex mass. We find that this adiabatic approximation is valid only when the superfluid droplet radius R, or the typical distance between vortices, is very much larger than the coherence length xi. We go beyond the adiabatic approximation numerically, accounting for the quantum dynamics of environmental modes and capturing their dissipative coupling to condensate dynamics. For the case of an optical-lattice superfluid, we demonstrate that vortex motion damping can be adjusted by tuning the ratio between the tunneling energy J and the on-site interaction energy U. We comment on the possibility of realizing vortex-Landau-level physics.
Dynamics of modulated waves in electrical lines with dissipative elements.
Ndzana, Fabien Ii; Mohamadou, Alidou; Kofané, Timoleon Crepin
2009-04-01
By a means of a method based on the reductive perturbation method, we show that the amplitude of waves on the nonlinear electrical transmission lines (NLTLs) is described by the cubic-quintic complex Ginzburg-Landau (CGL) equation. Then, we revisit analytically and numerically the processes of modulational instability (MI). The evolution of dissipative modulated waves through the network is also examined, and we show that solitonlike excitations can be induced by MI. Analytical results, illustrating the nature of MI of plane-wave solution, are also found to be in good agreement with numerical findings.
Efficient method for the calculation of dissipative quantum transport in quantum cascade lasers.
Greck, Peter; Birner, Stefan; Huber, Bernhard; Vogl, Peter
2015-03-09
We present a novel and very efficient method for calculating quantum transport in quantum cascade lasers (QCLs). It follows the nonequilibrium Green's function (NEGF) framework but sidesteps the calculation of lesser self-energies by replacing them by a quasi-equilibrium expression. This method generalizes the phenomenological Büttiker probe model by taking into account individual scattering mechanisms. It is orders of magnitude more efficient than a fully self-consistent NEGF calculation for realistic devices. We apply this method to a new THz QCL design which works up to 250 K - according to our calculations.
2014-06-01
Distribution List 20 iv INTENTIONALLY LEFT BLANK. 1 The constant energy dissipative particle dynamics ( DPD -E) method is implemented into the Large-Scale...User Manual and Source Code for a LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics ( DPD -E) by James P. Larentzos...Energy Dissipative Particle Dynamics ( DPD -E) James P. Larentzos Engility Corporation John K. Brennan, Joshua D. Moore, and William D. Mattson
Radiation from quantum weakly dynamical horizons in loop quantum gravity.
Pranzetti, Daniele
2012-07-06
We provide a statistical mechanical analysis of quantum horizons near equilibrium in the grand canonical ensemble. By matching the description of the nonequilibrium phase in terms of weakly dynamical horizons with a local statistical framework, we implement loop quantum gravity dynamics near the boundary. The resulting radiation process provides a quantum gravity description of the horizon evaporation. For large black holes, the spectrum we derive presents a discrete structure which could be potentially observable.
The unifying role of dissipative action in the dynamic failure of solids
Grady, Dennis
2015-05-19
Dissipative action, the product of dissipation energy and transport time, is fundamental to the dynamic failure of solids. Invariance of the dissipative action underlies the fourth-power nature of structured shock waves observed in selected solid metals and compounds. Dynamic failure through shock compaction, tensile spall and adiabatic shear are also governed by a constancy of the dissipative action. This commonality underlying the various modes of dynamic failure is described and leads to deeper insights into failure of solids in the intense shock wave event. These insights are in turn leading to a better understanding of the shock deformation processes underlyingmore » the fourth-power law. Experimental result and material models encompassing the dynamic failure of solids are explored for the purpose of demonstrating commonalities leading to invariance of the dissipation action. As a result, calculations are extended to aluminum and uranium metals with the intent of predicting micro-scale energetics and spatial scales in the structured shock wave.« less
Non-Markovian dynamics of quantum discord
Fanchini, F. F.; Caldeira, A. O.; Werlang, T.; Brasil, C. A.; Arruda, L. G. E.
2010-05-15
We evaluate the quantum discord dynamics of two qubits in independent and common non-Markovian environments. We compare the dynamics of entanglement with that of quantum discord. For independent reservoirs the quantum discord vanishes only at discrete instants whereas the entanglement can disappear during a finite time interval. For a common reservoir, quantum discord and entanglement can behave very differently with sudden birth of the former but not of the latter. Furthermore, in this case the quantum discord dynamics presents sudden changes in the derivative of its time evolution which is evidenced by the presence of kinks in its behavior at discrete instants of time.
Goletz, Christoph-Marian; Grossmann, Frank
2009-06-28
Applying the recently developed semiclassical hybrid dynamics [Grossmann, J. Chem. Phys. 125, 014111 (2006)], we study the decay of interference patterns in the reduced density as well as of the purity in a Morse oscillator test system due to the interaction with a finite harmonic bath at zero temperature. In the case that the bath mimics a continuous Ohmic spectral density, in addition to the quantum classical transition induced by the interaction with the environment, we corroborate the existence of a blueshift due to the bath coupling, predicted by Pollak [Phys. Rev. A 33, 4244 (1986)]. Furthermore, the decoherence dynamics of cat states is confirmed to be faster than that of single coherent states and we show that for a resonant bath the dissipation leads to an increase in the decoherence rate as compared to the low frequency bath.
Mean-field and quantum-fluctuation dynamics in the driven dispersive Jaynes-Cummings model
NASA Astrophysics Data System (ADS)
Mavrogordatos, Th.; Szafulski, P.; Ginossar, E.; Szymańska, M. H.
2016-12-01
In this work we investigate the regime of amplitude bistability in the driven dissipative Jaynes-Cummings (JC) model. We study the semiclassical equation dynamics in contrast to entangled cavity-photon and qubit quantum trajectories, discussing our results in the context of an out-of-equilibrium first order quantum dissipative phase transition for a single JC resonator. Finally, we compare the switching process between metastable states for the two system degrees of freedom by examining a single realization of the random qubit vector in the Bloch sphere next to the intracavity amplitude quasi distributions at given time instants.
Why quantum dynamics is linear
NASA Astrophysics Data System (ADS)
Jordan, Thomas F.
2009-11-01
A seed George planted 45 years ago is still producing fruit now. In 1961, George set out the fundamental proposition that quantum dynamics is described most generally by linear maps of density matrices. Since the first sprout from George's seed appeared in 1962, we have known that George's fundamental proposition can be used to derive the linear Schrodinger equation in cases where it can be expected to apply. Now we have a proof of George's proposition that density matrices are mapped linearly to density matrices, that there can be no nonlinear generalization of this. That completes the derivation of the linear Schrodinger equation. The proof of George's proposition replaces Wigner's theorem that a symmetry transformation is represented by a linear or antilinear operator. The assumption needed to prove George's proposition is just that the dynamics does not depend on anything outside the system but must allow the system to be described as part of a larger system. This replaces the physically less compelling assumption of Wigner's theorem that absolute values of inner products are preserved. The history of this question is reviewed. Nonlinear generalizations of quantum mechanics have been proposed. They predict small but clear nonlinear effects, which very accurate experiments have not seen. This begs the question. Is there a reason in principle why nonlinearity is not found? Is it impossible? Does quantum dynamics have to be linear? Attempts to prove this have not been decisive, because either their assumptions are not compelling or their arguments are not conclusive. The question has been left unsettled. The simple answer, based on a simple assumption, was found in two steps separated by 44 years.
Dynamical and thermodynamical control of Open Quantum Walks
NASA Astrophysics Data System (ADS)
Petruccione, Francesco; Sinayskiy, Ilya
2014-03-01
Over the last few years dynamical properties and limit distributions of Open Quantum Walks (OQWs), quantum walks driven by dissipation, have been intensely studied [S. Attal et. al. J. Stat. Phys. 147, Issue 4, 832 (2012)]. For some particular cases of OQWs central limit theorems have been proven [S. Attal, N. Guillotin, C. Sabot, ``Central Limit Theorems for Open Quantum Random Walks,'' to appear in Annales Henri Poincaré]. However, only recently the connection between the rich dynamical behavior of OQWs and the corresponding microscopic system-environment models has been established. The microscopic derivation of an OQW as a reduced system dynamics on a 2-nodes graph [I. Sinayskiy, F. Petruccione, Open Syst. Inf. Dyn. 20, 1340007 (2013)] and its generalization to arbitrary graphs allow to explain the dependance of the dynamical behavior of the OQW on the temperature and coupling to the environment. For thermal environments we observe Gaussian behaviour, whereas at zero temperature population trapping and ``soliton''-like behaviour are possible. Physical realizations of OQWs in quantum optical setups will be also presented. This work is based on research supported by the South African Research Chair Initiative of the Department of Science and Technology and National Research Foundation.
Quantum dynamical framework for Brownian heat engines
NASA Astrophysics Data System (ADS)
Agarwal, G. S.; Chaturvedi, S.
2013-07-01
We present a self-contained formalism modeled after the Brownian motion of a quantum harmonic oscillator for describing the performance of microscopic Brownian heat engines such as Carnot, Stirling, and Otto engines. Our theory, besides reproducing the standard thermodynamics results in the steady state, enables us to study the role dissipation plays in determining the efficiency of Brownian heat engines under actual laboratory conditions. In particular, we analyze in detail the dynamics associated with decoupling a system in equilibrium with one bath and recoupling it to another bath and obtain exact analytical results, which are shown to have significant ramifications on the efficiencies of engines involving such a step. We also develop a simple yet powerful technique for computing corrections to the steady state results arising from finite operation time and use it to arrive at the thermodynamic complementarity relations for various operating conditions and also to compute the efficiencies of the three engines cited above at maximum power. Some of the methods and exactly solvable models presented here are interesting in their own right and could find useful applications in other contexts as well.
Causal dissipation and shock profiles in the relativistic fluid dynamics of pure radiation
Freistühler, Heinrich; Temple, Blake
2014-01-01
Current theories of dissipation in the relativistic regime suffer from one of two deficits: either their dissipation is not causal or no profiles for strong shock waves exist. This paper proposes a relativistic Navier–Stokes–Fourier-type viscosity and heat conduction tensor such that the resulting second-order system of partial differential equations for the fluid dynamics of pure radiation is symmetric hyperbolic. This system has causal dissipation as well as the property that all shock waves of arbitrary strength have smooth profiles. Entropy production is positive both on gradients near those of solutions to the dissipation-free equations and on gradients of shock profiles. This shows that the new dissipation stress tensor complies to leading order with the principles of thermodynamics. Whether higher order modifications of the ansatz are required to obtain full compatibility with the second law far from the zero-dissipation equilibrium is left to further investigations. The system has exactly three a priori free parameters χ,η,ζ, corresponding physically to heat conductivity, shear viscosity and bulk viscosity. If the bulk viscosity is zero (as is stated in the literature) and the total stress–energy tensor is trace free, the entire viscosity and heat conduction tensor is determined to within a constant factor. PMID:24910526
Quantum coherence in the dynamical Casimir effect
NASA Astrophysics Data System (ADS)
Samos-Sáenz de Buruaga, D. N.; Sabín, Carlos
2017-02-01
We propose to use quantum coherence as the ultimate proof of the quantum nature of the radiation that appears by means of the dynamical Casimir effect in experiments with superconducting microwave waveguides. We show that, unlike previously considered measurements such as entanglement and discord, quantum coherence does not require a threshold value of the external pump amplitude and is highly robust to thermal noise.
Quantum Dynamics of a d-wave Josephson Junction
NASA Astrophysics Data System (ADS)
Bauch, Thilo
2007-03-01
Thilo Bauch ^1, Floriana Lombardi ^1, Tobias Lindstr"om ^2, Francesco Tafuri ^3, Giacomo Rotoli ^4, Per Delsing ^1, Tord Claeson ^1 1 Quantum Device Physics Laboratory, Department of Microtechnology and Nanoscience, MC2, Chalmers University of Technology, S-412 96 G"oteborg, Sweden. 2 National Physical Laboratory, Queens Road, Teddington, Middlesex TW11 0LW, UK. 3 Istituto Nazionale per la Fisica della Materia-Dipartimento Ingegneria dell'Informazione, Seconda Universita di Napoli, Aversa (CE), Italy. 4 Dipartimento di Ingegneria Meccanica, Energetica e Gestionale, Universita of L'Aquila, Localita Monteluco, L'Aquila, Italy. We present direct observation of macroscopic quantum properties in an all high critical temperature superconductor d-wave Josephson junction. Although dissipation caused by low energy excitations is expected to strongly suppress quantum effects we demonstrate macroscopic quantum tunneling [1] and energy level quantization [2] in our d-wave Josephson junction. The results clearly indicate that the role of dissipation mechanisms in high temperature superconductors has to be revised, and may also have consequences for a new class of solid state ``quiet'' quantum bit with superior coherence time. We show that the dynamics of the YBCO grain boundary Josephson junctions fabricated on a STO substrate are strongly affected by their environment. As a first approximation we model the environment by the stray capacitance and stray inductance of the junction electrodes. The total system consisting of the junction and stray elements has two degrees of freedom resulting in two characteristic resonance frequencies. Both frequencies have to be considered to describe the quantum mechanical behavior of the Josephson circuit. [1] T. Bauch et al, Phys. Rev. Lett. 94, 087003 (2005). [2] T. Bauch et al, Science 311, 57 (2006).
Dissipative Particle Dynamics at Isothermal Conditions Using Shardlow-Like Splitting Algorithms
2013-09-01
15, 16), den Otter -Clarke integrator (17), first- and second- order Shardlow-splitting algorithms (SSAs) (18), and Lowe-Andersen integrator (19). Still...den Otter , W. K.; Clarke, J. H. R. A New Algorithm for Dissipative Particle Dynamics. Europhys. Lett. 2001, 53, 426. 18. Shardlow, T. Splitting
Quantum emitters dynamically coupled to a quantum field
NASA Astrophysics Data System (ADS)
Acevedo, O. L.; Quiroga, L.; Rodríguez, F. J.; Johnson, N. F.
2013-12-01
We study theoretically the dynamical response of a set of solid-state quantum emitters arbitrarily coupled to a single-mode microcavity system. Ramping the matter-field coupling strength in round trips, we quantify the hysteresis or irreversible quantum dynamics. The matter-field system is modeled as a finite-size Dicke model which has previously been used to describe equilibrium (including quantum phase transition) properties of systems such as quantum dots in a microcavity. Here we extend this model to address non-equilibrium situations. Analyzing the system's quantum fidelity, we find that the near-adiabatic regime exhibits the richest phenomena, with a strong asymmetry in the internal collective dynamics depending on which phase is chosen as the starting point. We also explore signatures of the crossing of the critical points on the radiation subsystem by monitoring its Wigner function; then, the subsystem can exhibit the emergence of non-classicality and complexity.
Quantum dynamics of hydrogen atoms on graphene. II. Sticking
NASA Astrophysics Data System (ADS)
Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco
2015-09-01
Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.
Quantum dynamics of hydrogen atoms on graphene. II. Sticking
Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene
2015-09-28
Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.
Quantum dynamics of hydrogen atoms on graphene. II. Sticking.
Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco
2015-09-28
Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.
Denicol, G. S.; Koide, T.; Rischke, D. H.
2010-10-15
We rederive the equations of motion of dissipative relativistic fluid dynamics from kinetic theory. In contrast with the derivation of Israel and Stewart, which considered the second moment of the Boltzmann equation to obtain equations of motion for the dissipative currents, we directly use the latter's definition. Although the equations of motion obtained via the two approaches are formally identical, the coefficients are different. We show that, for the one-dimensional scaling expansion, our method is in better agreement with the solution obtained from the Boltzmann equation.
NASA Astrophysics Data System (ADS)
Mai-Duy, N.; Phan-Thien, N.; Khoo, B. C.
2015-04-01
In the Dissipative Particle Dynamics (DPD) simulation of suspension, the fluid (solvent) and colloidal particles are replaced by a set of DPD particles and therefore their relative sizes (as measured by their exclusion zones) can affect the maximal packing fraction of the colloidal particles. In this study, we investigate roles of the conservative, dissipative and random forces in this relative size ratio (colloidal/solvent). We propose a mechanism of adjusting the DPD parameters to properly model the solvent phase (the solvent here is supposed to have the same isothermal compressibility to that of water).
Dissipative soliton dynamics in a discrete magnetic nano-dot chain
Lee, Kyeong-Dong; You, Chun-Yeol; Song, Hyon-Seok; Shin, Sung-Chul; Park, Byong-Guk
2014-02-03
Soliton dynamics is studied in a discrete magnetic nano-dot chain by means of micromagnetic simulations together with an analytic model equation. A soliton under a dissipative system is driven by an applied field. The field-driven dissipative soliton enhances its mobility nonlinearly, as the characteristic frequency and the intrinsic Gilbert damping decrease. During the propagation, the soliton emits spin waves which act as an extrinsic damping channel. The characteristic frequency, the maximum velocity, and the localization length of the soliton are found to be proportional to the threshold field, the threshold velocity, and the initial mobility, respectively.
NASA Astrophysics Data System (ADS)
Bartolomeo, Daniel; Caticha, Ariel
2016-03-01
Entropic Dynamics (ED) is a framework that allows the formulation of dynamical theories as an application of entropic methods of inference. In the generic application of ED to derive the Schrödinger equation for N particles the dynamics is a non-dissipative diffusion in which the system follows a “Brownian” trajectory with fluctuations superposed on a smooth drift. We show that there is a family of ED models that differ at the “microscopic” or sub-quantum level in that one can enhance or suppress the fluctuations relative to the drift. Nevertheless, members of this family belong to the same universality class in that they all lead to the same emergent Schrödinger behavior at the “macroscopic” or quantum level. The model in which fluctuations are totally suppressed is of particular interest: the system evolves along the smooth lines of probability flow. Thus ED includes the Bohmian or causal form of quantum mechanics as a special limiting case. We briefly explore a different universality class - a nondissipative dynamics with microscopic fluctuations but no quantum potential. The Bohmian limit of these hybrid models is equivalent to classical mechanics. Finally we show that the Heisenberg uncertainty relation is unaffected either by enhancing or suppressing microscopic fluctuations or by switching off the quantum potential.
Chang, Cui-Zu; Zhao, Weiwei; Kim, Duk Y; Wei, Peng; Jain, J K; Liu, Chaoxing; Chan, Moses H W; Moodera, Jagadeesh S
2015-07-31
The quantum anomalous Hall (QAH) effect is predicted to possess, at a zero magnetic field, chiral edge channels that conduct a spin polarized current without dissipation. While edge channels have been observed in previous experimental studies of the QAH effect, their dissipationless nature at a zero magnetic field has not been convincingly demonstrated. By a comprehensive experimental study of the gate and temperature dependences of local and nonlocal magnetoresistance, we unambiguously establish the dissipationless edge transport. By studying the onset of dissipation, we also identify the origin of dissipative channels and clarify the surprising observation that the critical temperature of the QAH effect is 2 orders of magnitude smaller than the Curie temperature of ferromagnetism.
Exploring vortex dynamics in the presence of dissipation: Analytical and numerical results
NASA Astrophysics Data System (ADS)
Yan, D.; Carretero-González, R.; Frantzeskakis, D. J.; Kevrekidis, P. G.; Proukakis, N. P.; Spirn, D.
2014-04-01
In this paper, we examine the dynamical properties of vortices in atomic Bose-Einstein condensates in the presence of phenomenological dissipation, used as a basic model for the effect of finite temperatures. In the context of this so-called dissipative Gross-Pitaevskii model, we derive analytical results for the motion of single vortices and, importantly, for vortex dipoles, which have become very relevant experimentally. Our analytical results are shown to compare favorably to the full numerical solution of the dissipative Gross-Pitaevskii equation where appropriate. We also present results on the stability of vortices and vortex dipoles, revealing good agreement between numerical and analytical results for the internal excitation eigenfrequencies, which extends even beyond the regime of validity of this equation for cold atoms.
A vorticity dynamics based model for the turbulent dissipation: Model development and validation
NASA Technical Reports Server (NTRS)
Shih, Tsan-Hsing; Liou, William W.; Shabbir, Aamir; Yang, Zhigang; Zhu, Jian
1994-01-01
A new model dissipation rate equation is proposed based on the dynamic equation of the mean-square vorticity fluctuation for large Reynolds number turbulence. The advantage of working with the vorticity fluctuation equation is that the physical meanings of the terms in this equation are more clear than those in the dissipation rate equation. Hence, the model development based on the vorticity fluctuation equation is more straightforward. The resulting form of the model equation is consistent with the spectral energy cascade analysis introduced by Lumley. The proposed model dissipation rate equation is numerically well behaved and can be applied to any level of turbulence modeling. It is applied to a realizable eddy viscosity model. Flows that are examined include: rotating homogeneous shear flows; free shear flows; a channel flow and flat plate boundary layers with and without pressure gradients; and backward facing step separated flows. In most cases, the present model predictions show considerable improvement over the standard kappa-epsilon model.
Yokojima, Satoshi; Chen, Guanhua; Xu, Ruixue; Yan, Yijing
2003-12-01
To demonstrate its applicability for realistic open systems, we apply the dynamic mean field quantum dissipative theory to simulate the photo-induced excitation and nonradiative decay of an embedded butadiene molecule. The Markovian approximation is adopted to further reduce the computational time, and the resulting Markovian formulation assumes a variation of Lindblad's semigroup form, which is shown to be numerically stable. In the calculation, all 22 valence electrons in the butadiene molecule are taken as the system and treated explicitly while the nuclei of the molecules are taken as the immediate bath of the system. It is observed that (1) various excitations decay differently, which leads to different peak widths in the absorption spectra; and (2) the temperature dependences of nonradiative decay rates are distinct for various excitations, which can be explained by the different electron-phonon couplings.
Quantum speed limits in open system dynamics.
del Campo, A; Egusquiza, I L; Plenio, M B; Huelga, S F
2013-02-01
Bounds to the speed of evolution of a quantum system are of fundamental interest in quantum metrology, quantum chemical dynamics, and quantum computation. We derive a time-energy uncertainty relation for open quantum systems undergoing a general, completely positive, and trace preserving evolution which provides a bound to the quantum speed limit. When the evolution is of the Lindblad form, the bound is analogous to the Mandelstam-Tamm relation which applies in the unitary case, with the role of the Hamiltonian being played by the adjoint of the generator of the dynamical semigroup. The utility of the new bound is exemplified in different scenarios, ranging from the estimation of the passage time to the determination of precision limits for quantum metrology in the presence of dephasing noise.
Relativistic second-order dissipative fluid dynamics at finite chemical potential
NASA Astrophysics Data System (ADS)
Jaiswal, Amaresh; Friman, Bengt; Redlich, Krzysztof
2016-07-01
We employ a Chapman-Enskog like expansion for the distribution function close to equilibrium to solve the Boltzmann equation in the relaxation time approximation and subsequently derive second-order evolution equations for dissipative charge currentand shear stress tensor for a system of massless quarks and gluons. We use quantum statistics for the phase space distribution functions to calculate the transport coefficients. We show that, the second-order evolution equations for the dissipative charge current and the shear stress tensor can be decoupled. We find that, for large chemical potential, the charge conductivity is small compared to the shear viscosity. Moreover, we demonstrate that the limiting behaviour of the ratio of heat conductivity to shear viscosity is identicalto that obtained for a strongly coupled conformal plasma.
Critical dynamical properties of a first-order dissipative phase transition
NASA Astrophysics Data System (ADS)
Casteels, W.; Fazio, R.; Ciuti, C.
2017-01-01
We theoretically investigate the critical properties of a single driven-dissipative nonlinear photon mode. In a well-defined thermodynamical limit of large excitation numbers, the exact quantum solution describes a first-order phase transition in the regime where semiclassical theory predicts optical bistability. We study the behavior of the complex spectral gap associated with the Liouvillian superoperator of the corresponding master equation. We show that in this limit the Liouvillian gap vanishes exponentially and that the bimodality of the photon Wigner function disappears. The connection between the considered thermodynamical limit of large photon numbers for the single-mode cavity and the thermodynamical limit of many cavities for a driven-dissipative Bose-Hubbard system is discussed.
Wormit, Michael; Dreuw, Andreas
2007-06-21
Light harvesting complexes (LHCs) have been identified in all photosynthetic organisms. To understand their function in light harvesting and energy dissipation, detailed knowledge about possible excitation energy transfer (EET) and electron transfer (ET) processes in these pigment proteins is of prime importance. This again requires the study of electronically excited states of the involved pigment molecules, in LHCs of chlorophylls and carotenoids. This paper represents a critical review of recent quantum chemical calculations on EET and ET processes between pigment pairs relevant for the major LHCs of green plants (LHC-II) and of purple bacteria (LH2). The theoretical methodology for a meaningful investigation of such processes is described in detail, and benefits and limitations of standard methods are discussed. The current status of excited state calculations on chlorophylls and carotenoids is outlined. It is focused on the possibility of EET and ET in the context of chlorophyll fluorescence quenching in LHC-II and carotenoid radical cation formation in LH2. In the context of non-photochemical quenching of green plants, it is shown that replacement of the carotenoid violaxanthin by zeaxanthin in its binding pocket of LHC-II can not result in efficient quenching. In LH2, our computational results give strong evidence that the S(1) states of the carotenoids are involved in carotenoid cation formation. By comparison of theoretical findings with recent experimental data, a general mechanism for carotenoid radical cation formation is suggested.
Dynamics of a Quantum Phase Transition
Zurek, Wojciech H.; Dorner, Uwe; Zoller, Peter
2005-09-02
We present two approaches to the dynamics of a quench-induced phase transition in the quantum Ising model. One follows the standard treatment of thermodynamic second order phase transitions but applies it to the quantum phase transitions. The other approach is quantum, and uses Landau-Zener formula for transition probabilities in avoided level crossings. We show that predictions of the two approaches of how the density of defects scales with the quench rate are compatible, and discuss the ensuing insights into the dynamics of quantum phase transitions.
NASA Astrophysics Data System (ADS)
Casteels, Wim; Ciuti, Cristiano
2017-01-01
We theoretically explore the quantum correlation properties of a dissipative Bose-Hubbard dimer in the presence of a coherent drive. In particular, we focus on the regime where the semiclassical theory predicts a bifurcation with a spontaneous spatial symmetry breaking. The critical behavior in a well-defined thermodynamical limit of large excitation numbers is considered and analyzed within a Gaussian approach. The case of a finite boson density is also examined by numerically integrating the Lindblad master equation for the density matrix. We predict the critical behavior around the bifurcation points accompanied by large quantum correlations of the mixed steady state, in particular, exhibiting a peak in the logarithmic entanglement negativity.
X state and quantum and classical correlations of two driven qubits with dissipation
NASA Astrophysics Data System (ADS)
Castaños, L. O.
2012-06-01
We consider two two-level atoms fixed at different positions, driven by a resonant monochromatic laser field, and interacting collectively with all the modes of the quantum electromagnetic field. A Born-Markov-secular master equation is used to describe the dynamics of the two atoms. When the atoms have the same coupling with the laser field, it is shown that their steady-state density operator is approximately an X state and this is used to obtain simple approximate analytic expressions for steady-state quantum and classical correlations which are characterized as functions of the laser field intensity and the distance between the two atoms. Moreover, the values of both the laser field intensity and the distance between the two atoms that maximize correlations are identified.
An Observational Study of the Recurring Formation and Dissipation of a Dynamic Filament
NASA Astrophysics Data System (ADS)
Zhou, Guiping; Wang, Jingxiu; Zhang, Jie
2016-10-01
Based on observations at the Hα wavelength from the Hinode spacecraft, we report here the detailed process of a dynamical filament that showed repeated appearance and dissipation in a filament channel. First, Hα short fibrils spreading in the pre-formed filament channel joined into longer threads. The joining process was found to be accompanied by small-scale brightening activity, indicating the possible involvement of magnetic reconnection. The forming filament was thickened by merging the neighboring dark threads that were nearly parallel to the axis and also those adjacent to its main endpoints. The formed filament as a single coherent structure only existed for tens of minutes, immediately followed by the dissipation. The dissipation appeared to start with expansion of the filament body, ascending and stripping away of the filament threads, and mass drainage along the legs of the filament. The formation-dissipation process of the filament was repeated three times within the four-hour observational window of Hinode. These observations indicate that the filament structure is highly dynamic. This study provides the observational evidence to confirm the hypothesis of Martin et al. ( Ann. Geophys. 26, 3061, 2008) on the irreversible build-up of magnetic fields in the corona by discrete threads or groups of threads ascending bodily into the corona.
Molecular dynamics approach to dissipative relativistic hydrodynamics: Propagation of fluctuations
NASA Astrophysics Data System (ADS)
Shahsavar, Leila; Ghodrat, Malihe; Montakhab, Afshin
2016-12-01
Relativistic generalization of hydrodynamic theory has attracted much attention from a theoretical point of view. However, it has many important practical applications in high energy as well as astrophysical contexts. Despite various attempts to formulate relativistic hydrodynamics, no definitive consensus has been achieved. In this work, we propose to test the predictions of four types of first-order hydrodynamic theories for nonperfect fluids in the light of numerically exact molecular dynamics simulations of a fully relativistic particle system in the low density regime. In this regard, we study the propagation of density, velocity, and heat fluctuations in a wide range of temperatures using extensive simulations and compare them to the corresponding analytic expressions we obtain for each of the proposed theories. As expected, in the low temperature classical regime all theories give the same results, consistent with the numerics. In the high temperature extremely relativistic regime, not all considered theories are distinguishable from one another. However, in the intermediate regime, a meaningful distinction exists in the predictions of various theories considered here. We find that the predictions of the recent formulation due to Tsumura, Kunihiro, and Ohnishi are more consistent with our numerical results than the traditional theories: the Meixner, modified Eckart, and modified Marle-Stewart theories.
Femtosecond Dynamics of Electrons in 2-D Dissipative Systems
NASA Astrophysics Data System (ADS)
Harris, Charles
2000-03-01
Transitions between weakly coupled initial and final states can be treated with a lowest order perturbation theory in the electronic coupling which yields the well-known golden rule in this non-adiabatic limit. In strongly interacting systems, one often resorts to semiclassical treatments, such as the Landau-Zener formula for the transition probability in the adiabatic limit. Recent electron transfer theory by Stuchebrukhov and Song treats the two limit on equal footing by summing over all perturbation orders in electronic coupling[1]. Here we present the application of this theory to model the dynamics of electron self-trapping in 2-D at the n-heptane/Ag(111) and anthracene/Ag(111) interface. Our results revealed an intermediate electronic coupling for the self-trapping process at the n-heptane/Ag(111) interface which can mainly be described by a non-adiabatic process. Results for electron self-trapping at the anthracene/Ag(111) interface revealed a stronger electronic coupling which requires the summing of higher perturbation orders. [1] A.A. Stuchebrukhov and X. song, J. Chem. Phys. 101, 9354, 1994. [2] N.-H. Ge,C.M. Wong, R.L. Lingle, Jr., J.D. McNeill, K.J. Gaffney, and C.B. Harris, Science 279, 202, 1998.
Mapping quantum state dynamics in spontaneous emission
Naghiloo, M.; Foroozani, N.; Tan, D.; Jadbabaie, A.; Murch, K. W.
2016-01-01
The evolution of a quantum state undergoing radiative decay depends on how its emission is detected. If the emission is detected in the form of energy quanta, the evolution is characterized by a quantum jump to a lower energy state. In contrast, detection of the wave nature of the emitted radiation leads to different dynamics. Here, we investigate the diffusive dynamics of a superconducting artificial atom under continuous homodyne detection of its spontaneous emission. Using quantum state tomography, we characterize the correlation between the detected homodyne signal and the emitter's state, and map out the conditional back-action of homodyne measurement. By tracking the diffusive quantum trajectories of the state as it decays, we characterize selective stochastic excitation induced by the choice of measurement basis. Our results demonstrate dramatic differences from the quantum jump evolution associated with photodetection and highlight how continuous field detection can be harnessed to control quantum evolution. PMID:27167893
Dual-Lagrangian description adapted to quantum optics in dispersive and dissipative dielectric media
NASA Astrophysics Data System (ADS)
Drezet, Aurélien
2016-11-01
We develop a dual description of quantum optics adapted to dielectric systems without magnetic property. Our formalism, which is shown to be equivalent to the standard one within some dipolar approximations discussed in the article, is applied to the description of polaritons in dielectric media. We show that the dual formalism leads to the Huttner-Barnett equations [B. Huttner and S. M. Barnett, Phys. Rev. A 46, 4306 (1992), 10.1103/PhysRevA.46.4306] for QED in dielectric systems. More generally, we discuss the role of electromagnetic duality in the quantization procedure for optical systems and derive the structure of the dynamical laws in the various representations.
Quantum regression theorem and non-Markovianity of quantum dynamics
NASA Astrophysics Data System (ADS)
Guarnieri, Giacomo; Smirne, Andrea; Vacchini, Bassano
2014-08-01
We explore the connection between two recently introduced notions of non-Markovian quantum dynamics and the validity of the so-called quantum regression theorem. While non-Markovianity of a quantum dynamics has been defined looking at the behavior in time of the statistical operator, which determines the evolution of mean values, the quantum regression theorem makes statements about the behavior of system correlation functions of order two and higher. The comparison relies on an estimate of the validity of the quantum regression hypothesis, which can be obtained exactly evaluating two-point correlation functions. To this aim we consider a qubit undergoing dephasing due to interaction with a bosonic bath, comparing the exact evaluation of the non-Markovianity measures with the violation of the quantum regression theorem for a class of spectral densities. We further study a photonic dephasing model, recently exploited for the experimental measurement of non-Markovianity. It appears that while a non-Markovian dynamics according to either definition brings with itself violation of the regression hypothesis, even Markovian dynamics can lead to a failure of the regression relation.
Shot noise spectrum of open dissipative quantum two-level systems.
Aguado, Ramón; Brandes, Tobias
2004-05-21
We study the current noise spectrum of qubits under transport conditions in a dissipative bosonic environment. We combine (non-)Markovian master equations with correlation functions in Laplace space to derive a noise formula for both weak and strong coupling to the bath. The coherence-induced reduction of noise is diminished by weak dissipation and/or a large level separation (bias). For weak dissipation, we demonstrate that the dephasing and relaxation rates of the two-level systems can be extracted from noise. In the strong dissipation regime, the localization-delocalization transition becomes visible in the low-frequency noise.
Mesoscopic simulation of a thinning liquid bridge using the dissipative particle dynamics method
NASA Astrophysics Data System (ADS)
Mo, Chao-jie; Yang, Li-jun; Zhao, Fei; Cui, Kun-da
2015-08-01
In this research, the dissipative particle dynamics method was used to investigate the problem of thinning and breakup in a liquid bridge. It was found that both the inertial-force-dominated thinning process and the thermal-fluctuation-dominated thinning process can be reproduced with the dissipative particle dynamics (DPD) method by varying the simulation parameters. A highly suspect viscous thinning regime was also found, but the conclusion is not irrefutable because of the complication of the shear viscosity of DPD fluid. We show in this article that the DPD method can serve as a good candidate to elucidate crossover problem in liquid bridge thinning from being hydrodynamics dominated to being thermal fluctuation dominated.
Conditional measurements as probes of quantum dynamics
Siddiqui, Shabnam; Erenso, Daniel; Vyas, Reeta; Singh, Surendra
2003-06-01
We discuss conditional measurements as probes of quantum dynamics and show that they provide different ways to characterize quantum fluctuations. We illustrate this by considering the light from a subthreshold degenerate parametric oscillator. Analytic results and curves are presented to illustrate the behavior.
Goujon, Florent; Malfreyt, Patrice; Tildesley, Dominic J
2004-04-19
We have used the dissipative particle dynamics (DPD) method in the grand canonical ensemble to study the compression of grafted polymer brushes in good solvent conditions. The force-distance profiles calculated from DPD simulations in the grand canonical ensemble are in very good agreement with the self-consistent field (SCF) theoretical models and with experimental results for two polystyrene brush layers grafted onto mica surfaces in toluene.
The Tidal History Of Iapetus: Spin Dynamics In The Light Of A Refined Dissipation Model
2011-01-01
model consistent with the temperature and stress conditions expected in Iapetus, supported by geophysical considerations . In section 7, we assemble our...different, fossilization was not a special landmark from the viewpoint of the applicability of our geophysical assump- tions. Specifically, the...employment of a realistic dissipation law based on experimental mea- surements can considerably influence the timescale of dynamical evolution of the Solar
Quantum optimal control theory and dynamic coupling in the spin-boson model
Jirari, H.; Poetz, W.
2006-08-15
A Markovian master equation describing the evolution of open quantum systems in the presence of a time-dependent external field is derived within the Bloch-Redfield formalism. It leads to a system-bath interaction which depends on the control field. Optimal control theory is used to select control fields which allow accelerated or decelerated system relaxation, or suppression of relaxation (dissipation) altogether, depending on the dynamics we impose on the quantum system. The control-dissipation correlation and the nonperturbative treatment of the control field are essential for reaching this goal. The optimal control problem is formulated within Pontryagin's minimum principle and the resulting optimal differential system is solved numerically. As an application, we study the dynamics of a spin-boson model in the strong coupling regime under the influence of an external control field. We show how trapping the system in unstable quantum states and transfer of population can be achieved by optimized control of the dissipative quantum system. We also used optimal control theory to find the driving field that generates the quantum Z gate. In several cases studied, we find that the selected optimal field which reduces the purity loss significantly is a multicomponent low-frequency field including higher harmonics, all of which lie below the phonon cutoff frequency. Finally, in the undriven case we present an analytic result for the Lamb shift at zero temperature.
NASA Astrophysics Data System (ADS)
Prigogine, I.; George, Cl.
1983-07-01
The second law of thermodynamics, for quantum systems, is formulated, on the microscopic level. As for classical systems, such a formulation is only possible when specific conditions are satisfied (continuous spectrum, nonvanishing of the collision operator, etc.). The unitary dynamical group can then be mapped into two contractive semigroups, reaching equilibrium either for t → +∞ or for t → -∞. The second law appears as a symmetry-breaking selection principle, limiting the observables and density functions to the class that tends to thermodynamic equilibrium in the future (for t → +∞). The physical content of the dynamical structure is now displayed in terms of the appropriate semigroup, which is realized through a nonunitary transformation. The superposition principle of quantum mechanics has to be reconsidered as irreversible processes transform pure states into mixtures and unitary transformations are limited by the requirement that entropy remains invariant. In the semigroup representation, interacting fields lead to units that behave incoherently at equilibrium. Inversely, nonequilibrium constraints introduce correlations between these units.
Robust dynamical decoupling for quantum computing and quantum memory.
Souza, Alexandre M; Alvarez, Gonzalo A; Suter, Dieter
2011-06-17
Dynamical decoupling (DD) is a popular technique for protecting qubits from the environment. However, unless special care is taken, experimental errors in the control pulses used in this technique can destroy the quantum information instead of preserving it. Here, we investigate techniques for making DD sequences robust against different types of experimental errors while retaining good decoupling efficiency in a fluctuating environment. We present experimental data from solid-state nuclear spin qubits and introduce a new DD sequence that is suitable for quantum computing and quantum memory.
Non-Markovian dynamics in chiral quantum networks with spins and photons
NASA Astrophysics Data System (ADS)
Ramos, Tomás; Vermersch, Benoît; Hauke, Philipp; Pichler, Hannes; Zoller, Peter
2016-06-01
We study the dynamics of chiral quantum networks consisting of nodes coupled by unidirectional or asymmetric bidirectional quantum channels. In contrast to familiar photonic networks where driven two-level atoms exchange photons via 1D photonic nanostructures, we propose and study a setup where interactions between the atoms are mediated by spin excitations (magnons) in 1D X X spin chains representing spin waveguides. While Markovian quantum network theory eliminates quantum channels as structureless reservoirs in a Born-Markov approximation to obtain a master equation for the nodes, we are interested in non-Markovian dynamics. This arises from the nonlinear character of the dispersion with band-edge effects, and from finite spin propagation velocities leading to time delays in interactions. To account for the non-Markovian dynamics we treat the quantum degrees of freedom of the nodes and connecting channel as a composite spin system with the surrounding of the quantum network as a Markovian bath, allowing for an efficient solution with time-dependent density matrix renormalization-group techniques. We illustrate our approach showing non-Markovian effects in the driven-dissipative formation of quantum dimers, and we present examples for quantum information protocols involving quantum state transfer with engineered elements as basic building blocks of quantum spintronic circuits.
The quantum Rabi model: solution and dynamics
NASA Astrophysics Data System (ADS)
Xie, Qiongtao; Zhong, Honghua; Batchelor, Murray T.; Lee, Chaohong
2017-03-01
This article presents a review of recent developments on various aspects of the quantum Rabi model. Particular emphasis is given on the exact analytic solution obtained in terms of confluent Heun functions. The analytic solutions for various generalisations of the quantum Rabi model are also discussed. Results are also reviewed on the level statistics and the dynamics of the quantum Rabi model. The article concludes with an introductory overview of several experimental realisations of the quantum Rabi model. An outlook towards future developments is also given.
NASA Astrophysics Data System (ADS)
Fanaei, M.; Foerster, A.; Leymann, H. A. M.; Wiersig, J.
2016-10-01
We investigate two-mode photon correlations in a quantum-dot-microcavity laser with special emphasis on the effects induced by a direct coupling of two competing modes due to the dissipative character of the laser resonator. Numerical results based on a microscopic semiconductor theory reveal an enhanced autocorrelation of both modes and an enhanced anticorrelation between the modes. A detailed analysis is given in terms of dark and bright modes. It is shown that above the lasing threshold the original modes build up a bright mode coupled to the quantum dots and a dark mode, which interacts only indirectly with the quantum dots. We demonstrate that a populated dark mode can enable an efficient transfer of photons between the two original cavity modes, mediating an effective coupling between them.
Dissipation dynamics and final residues of cloransulam-methyl in soybean and soil.
Zhang, Zihao; Li, Minghui; Feng, Mengyuan; Zhu, Kechen; Han, Lijun
2016-03-01
This work is the first report on the dissipation and final residue of cloransulam-methyl on soybean plant at field conditions. A fast, simple, and reliable residue analytical method for determination of cloransulam-methyl in soybean matrices and soil was developed based on quick, easy, cheap, effective, rugged, and safe (QuEChERS) sample preparation and liquid chromatography-tandem mass spectrometry (LC-MS/MS) detection. The average recoveries of cloransulam-methyl in soybean matrices and soil ranged from 80 to 105%, with RSDs between 3-11%. The limit of detection (LOD) was 0.001 mg kg(-1) for soybean grain, plant, and soil and was 0.005 mg kg(-1) for soybean straw. This method was then used to characterize dissipation of cloransulam-methyl in soybeans and soil from three locations in China for the first time. Cloransulam-methyl dissipated quickly in soybean plant with half-lives (T1/2) of 0.21-0.56 days. The dissipation dynamic in soil was characterized using both first-order kinetics model and two-compartment model, and the half-lives were similar, ranging from 0.44 to 5.53 days at three experimental sites in 2012 and 2013. The final residue data showed a very low level of cloransulam-methyl in soil (≤0.026 mg kg(-1)), soybean grain (≤0.001 mg kg(-1)), and straw (≤0.005 mg kg(-1)) samples at harvest time. With the faster and simple analytical method on soybean and soil, rapid dissipation of cloransulam-methyl was observed at three geospatial locations in China, and the terminal residue levels were negligible, so mammalian ingestion exposure is minimal.
Influence of gain dynamics on dissipative soliton interaction in the presence of a continuous wave
NASA Astrophysics Data System (ADS)
Niang, A.; Amrani, F.; Salhi, M.; Leblond, H.; Sanchez, F.
2015-09-01
We investigate the effect of the gain dynamics on the motion and interactions of solitons in the frame of a complex Ginzburg-Landau-type model, which accounts for dissipative soliton formation and propagation in a ring fiber laser. It is shown that the gain dynamics modifies the soliton velocity and their interactions. In the presence of an injected continuous wave, an initial crystal of a few solitons gets broken, either into bunches or into individual solitons. Quasielastic collisions analogous to Newton's cradle have been seen. The soliton set may evolve into gas, solitons, or harmonic mode-locked patterns. The time jitter present in the last situation has been considered.
Kong, Bin; Yang, Xiaozhen
2006-02-28
We have studied two types of topological substrates--the continuous solid substrates (CSS) and the discontinuous solid substrates (DSS)--by using the dissipative particle dynamics (DPD) method for a better understanding of the contact angle hysteresis on two such substrates. After the validation of DPD in the system, we found that DSS has a different distribution of the metastable states from that of CSS and that DSS has relatively larger contact angle hysteresis at lower temperature. Obtained results also show that CSS is more suitable for making an ultrahydrophobic or ultralyophobic surface than DSS from the point of view of dynamic wettability.
NASA Astrophysics Data System (ADS)
Brackhagen, O.; Kühn, O.; Manz, J.; May, V.; Meyer, R.
1994-06-01
The dynamics of cyclic systems with four equivalent potential minima is studied here from two different points of view. The solution of the time-dependent Schrödinger equation provides insight into the coherent wave packet motion. The resulting reaction mechanism involves relocalization between opposite, not neighboring potential minima. The inclusion of an environment within a density matrix description leads to dissipation and therefore to a transition from coherent to incoherent dynamics. The theoretical considerations are applied to a simple model of the cyclic motion of a proton in a molecular framework.
NASA Astrophysics Data System (ADS)
Jamali, Safa; Boromand, Arman; Khani, Shaghayegh; Maia, Joao
2015-12-01
We present in this letter an auxiliary thermostat for non-equilibrium simulations in Dissipative Particle Dynamics based on the Gaussian distribution of particle velocities in the fluid. We demonstrate the ability of the thermostat to maintain the temperature under a wide range of shear rates and dissipative parameters, and to extend the shear rate window accessible by DPD significantly. The effect of proposed method on the viscosity of a DPD fluid is studied which is particularly of interest when the rheological behavior of a complex fluids is subject of DPD simulations. Furthermore, performance of the proposed method is compared to the ones from the well-known Lowe-Andersen scheme in regards to temperature and viscosity measurements.
NASA Astrophysics Data System (ADS)
Gelman, David; Katz, Gil; Kosloff, Ronnie; Ratner, Mark A.
2005-10-01
The dynamics of a system incorporating a conical intersection, in the presence of a dissipative environment, is studied with the purpose of identifying observable ultrafast spectroscopic signatures. A model system consisting of two vibronically coupled electronic states with two nuclear degrees of freedom is constructed. Dissipation is treated by two different methods, Lindblad semigroup formalism and the surrogate Hamiltonian approach. Pump-probe experimental expectation values such as transient emission and transient absorption are calculated and compared to the adiabatic and diabatic population transfer. The ultrafast population transfer reflecting the conical intersection is not mirrored in transient absorption measurements such as the recovery of the bleach. Emission from the excited state can be suppressed on the ultrafast time scale, but the existence of a conical intersection is only one of the possible mechanisms that can provide ultrafast damping of emission.
NASA Astrophysics Data System (ADS)
Zilletti, Michele; Elliott, Stephen J.; Rustighi, Emiliano
2012-08-01
The tuning of a dynamic vibration absorber is considered such that either the kinetic energy of the host structure is minimised or the power dissipation within the absorber is maximised. If the host structure is approximated as a damped single degree of freedom, the optimal values for the ratio of the absorber's natural frequency to the host structure and the optimal damping ratio of the absorber are shown to be the same whether the kinetic energy of the host structure is minimised or the power dissipation of the absorber is maximised. It is also demonstrated that the total power input into the system does not depend on the two parameters but only on the host structure's mass.
Unifying role of dissipative action in the dynamic failure of solids
Grady, Dennis E.
2015-04-28
A fourth-power law underlying the steady shock-wave structure and solid viscosity of condensed material has been observed for a wide range of metals and non-metals. The fourth-power law relates the steady-wave Hugoniot pressure to the fourth power of the strain rate during passage of the material through the structured shock wave. Preceding the fourth-power law was the observation in a shock transition that the product of the shock dissipation energy and the shock transition time is a constant independent of the shock pressure amplitude. Invariance of this energy-time product implies the fourth-power law. This property of the shock transition in solids was initially identified as a shock invariant. More recently, it has been referred to as the dissipative action, although no relationship to the accepted definitions of action in mechanics has been demonstrated. This same invariant property has application to a wider range of transient failure phenomena in solids. Invariance of this dissipation action has application to spall fracture, failure through adiabatic shear, shock compaction of granular media, and perhaps others. Through models of the failure processes, a clearer picture of the physics underlying the observed invariance is emerging. These insights in turn are leading to a better understanding of the shock deformation processes underlying the fourth-power law. Experimental result and material models encompassing the dynamic failure of solids are explored for the purpose of demonstrating commonalities leading to invariance of the dissipation action. Calculations are extended to aluminum and uranium metals with the intent of predicting micro-scale dynamics and spatial structure in the steady shock wave.
Dynamical Correspondence in a Generalized Quantum Theory
NASA Astrophysics Data System (ADS)
Niestegge, Gerd
2015-05-01
In order to figure out why quantum physics needs the complex Hilbert space, many attempts have been made to distinguish the C*-algebras and von Neumann algebras in more general classes of abstractly defined Jordan algebras (JB- and JBW-algebras). One particularly important distinguishing property was identified by Alfsen and Shultz and is the existence of a dynamical correspondence. It reproduces the dual role of the selfadjoint operators as observables and generators of dynamical groups in quantum mechanics. In the paper, this concept is extended to another class of nonassociative algebras, arising from recent studies of the quantum logics with a conditional probability calculus and particularly of those that rule out third-order interference. The conditional probability calculus is a mathematical model of the Lüders-von Neumann quantum measurement process, and third-order interference is a property of the conditional probabilities which was discovered by Sorkin (Mod Phys Lett A 9:3119-3127, 1994) and which is ruled out by quantum mechanics. It is shown then that the postulates that a dynamical correspondence exists and that the square of any algebra element is positive still characterize, in the class considered, those algebras that emerge from the selfadjoint parts of C*-algebras equipped with the Jordan product. Within this class, the two postulates thus result in ordinary quantum mechanics using the complex Hilbert space or, vice versa, a genuine generalization of quantum theory must omit at least one of them.
NASA Astrophysics Data System (ADS)
Morales, Marco A.; Fernández-Cervantes, Irving; Agustín-Serrano, Ricardo; Anzo, Andrés; Sampedro, Mercedes P.
2016-08-01
A functional with interactions short-range and long-range low coarse-grained approximation is proposed. This functional satisfies models with dissipative dynamics A, B and the stochastic Swift-Hohenberg equation. Furthermore, terms associated with multiplicative noise source are added in these models. These models are solved numerically using the method known as fast Fourier transform. Results of the spatio-temporal dynamic show similarity with respect to patterns behaviour in ferrofluids phases subject to external fields (magnetic, electric and temperature), as well as with the nucleation and growth phenomena present in some solid dissolutions. As a result of the multiplicative noise effect over the dynamic, some microstructures formed by changing solid phase and composed by binary alloys of Pb-Sn, Fe-C and Cu-Ni, as well as a NiAl-Cr(Mo) eutectic composite material. The model A for active-particles with a non-potential term in form of quadratic gradient explain the formation of nanostructured particles of silver phosphate. With these models is shown that the underlying mechanisms in the patterns formation in all these systems depends of: (a) dissipative dynamics; (b) the short-range and long-range interactions and (c) the appropiate combination of quadratic and multiplicative noise terms.
NASA Astrophysics Data System (ADS)
Filipovic, N.; Haber, S.; Kojic, M.; Tsuda, A.
2008-02-01
Traditional DPD methods address dissipative and random forces exerted along the line connecting neighbouring particles. Espanol (1998 Phys. Rev. E 57 2930-48) suggested adding dissipative and random force components in a direction perpendicular to this line. This paper focuses on the advantages and disadvantages of such an addition as compared with the traditional DPD method. Our benchmark system comprises fluid initially at rest occupying the space between two concentric cylinders rotating with various angular velocities. The effect of the lateral force components on the time evolution of the simulated velocity profile was also compared with that of the known analytical solution. The results show that (i) the solution accuracy at steady state has improved and the error has been reduced by at least 30% (in one case by 75%), (ii) the DPD time to reach steady state has been halved, (iii) the CPU time has increased by only 30%, and (iv) no significant differences exist in density and temperature distributions.
Kudo, Kazue; Kawaguchi, Yuki
2011-10-15
The hydrodynamic equation of a spinor Bose-Einstein condensate (BEC) gives a simple description of spin dynamics in the condensate. We introduce the hydrodynamic equation of a ferromagnetic BEC with dissipation originating from the energy dissipation of the condensate. The dissipative hydrodynamic equation has the same form as an extended Landau-Lifshitz-Gilbert (LLG) equation, which describes the magnetization dynamics of conducting ferromagnets in which localized magnetization interacts with spin-polarized currents. Employing the dissipative hydrodynamic equation, we demonstrate the magnetic domain pattern dynamics of a ferromagnetic BEC in the presence and absence of a current of particles, and discuss the effects of the current on domain pattern formation. We also discuss the characteristic lengths of domain patterns that have domain walls with and without finite magnetization.
Influence of external magnetic field on dynamics of open quantum systems.
Kalandarov, Sh A; Kanokov, Z; Adamian, G G; Antonenko, N V
2007-03-01
The influence of an external magnetic field on the non-Markovian dynamics of an open two-dimensional quantum system is investigated. The fluctuations of collective coordinate and momentum and transport coefficients are studied for a charged harmonic oscillator linearly coupled to a neutral bosonic heat bath. It is shown that the dissipation of collective energy slows down with increasing strength of the external magnetic field. The role of magnetic field in the diffusion processes is illustrated by several examples.
Influence of external magnetic field on dynamics of open quantum systems
Kalandarov, Sh. A.; Kanokov, Z.; Adamian, G. G.; Antonenko, N. V.
2007-03-15
The influence of an external magnetic field on the non-Markovian dynamics of an open two-dimensional quantum system is investigated. The fluctuations of collective coordinate and momentum and transport coefficients are studied for a charged harmonic oscillator linearly coupled to a neutral bosonic heat bath. It is shown that the dissipation of collective energy slows down with increasing strength of the external magnetic field. The role of magnetic field in the diffusion processes is illustrated by several examples.
A covariant action principle for dissipative fluid dynamics: from formalism to fundamental physics
NASA Astrophysics Data System (ADS)
Andersson, N.; Comer, G. L.
2015-04-01
We present a new variational framework for dissipative general relativistic fluid dynamics. The model extends the convective variational principle for multi-fluid systems to account for a range of dissipation channels. The key ingredients in the construction are (i) the use of a lower dimensional matter space for each fluid component, and (ii) an extended functional dependence for the associated volume forms. In an effort to make the concepts clear, the formalism is developed step-by-step with model examples considered at each level. Thus we consider a model for heat flow, derive the relativistic Navier-Stokes equations and discuss why the individual dissipative stress tensors need not be spacetime symmetric. We argue that the new formalism, which notably does not involve an expansion away from an assumed equilibrium state, provides a conceptual breakthrough in this area of research. We also provide an ambitious list of directions in which one may want to extend it in the future. This involves an exciting set of problems, relating to both applications and foundational issues.
Measurement-based quantum lattice gas model of fluid dynamics in 2+1 dimensions.
Micci, Michael M; Yepez, Jeffrey
2015-09-01
Presented are quantum simulation results using a measurement-based quantum lattice gas algorithm for Navier-Stokes fluid dynamics in 2+1 dimensions. Numerical prediction of the kinematic viscosity was measured by the decay rate of an initial sinusoidal flow profile. Due to local quantum entanglement in the quantum lattice gas, the minimum kinematic viscosity in the measurement-based quantum lattice gas is lower than achievable in a classical lattice gas. The numerically predicted viscosities precisely match the theoretical predictions obtained with a mean field approximation. Uniform flow profile with double shear layers, on a 16K×8K lattice, leads to the Kelvin-Helmholtz instability, breaking up the shear layer into pairs of counter-rotating vortices that eventually merge via vortex fusion and dissipate because of the nonzero shear viscosity.
Quantum dynamics of nonlinear cavity systems
NASA Astrophysics Data System (ADS)
Nation, Paul David
In this work we investigate the quantum dynamics of three different configurations of nonlinear cavity systems. We begin by carrying out a quantum analysis of a dc superconducting quantum interference device (SQUID) mechanical displacement detector comprising a SQUID with a mechanically compliant loop segment. The SQUID is approximated by a nonlinear current-dependent inductor, inducing an external flux tunable nonlinear Duffing term in the cavity equation of motion. Expressions are derived for the detector signal and noise response where it is found that a soft-spring Duffing self-interaction enables a closer approach to the displacement detection standard quantum limit, as well as cooling closer to the ground state. Next, we consider the use of a superconducting transmission line formed from an array of dc-SQUIDs for investigating analogue Hawking radiation. We will show that biasing the array with a space-time varying flux modifies the propagation velocity of the transmission line, leading to an effective metric with a horizon. As a fundamentally quantum mechanical device, this setup allows for investigations of quantum effects such as backreaction and analogue space-time fluctuations on the Hawking process. Finally, we investigate a quantum parametric amplifier with dynamical pump mode, viewed as a zero-dimensional model of Hawking radiation from an evaporating black hole. The conditions are derived under which the spectrum of particles generated from vacuum fluctuations deviates from the thermal spectrum predicted for the conventional parametric amplifier. We find that significant deviation occurs once the pump mode (black hole) has released nearly half of its initial energy in the signal (Hawking radiation) and idler (in-falling particle) modes. As a model of black hole dynamics, this finding lends support to the view that late-time Hawking radiation contains information about the quantum state of the black hole and is entangled with the black hole's quantum
PT-Symmetric Quantum Liouvillean Dynamics
NASA Astrophysics Data System (ADS)
Prosen, Tomaž
2012-08-01
We discuss a combination of unitary and antiunitary symmetry of quantum Liouvillean dynamics, in the context of open quantum systems, which implies a D2 symmetry of the complex Liouvillean spectrum. For sufficiently weak system-bath coupling, it implies a uniform decay rate for all coherences, i.e., off-diagonal elements of the system’s density matrix taken in the eigenbasis of the Hamiltonian. As an example, we discuss symmetrically boundary driven open XXZ spin 1/2 chains.
Efficient quantum computing of complex dynamics.
Benenti, G; Casati, G; Montangero, S; Shepelyansky, D L
2001-11-26
We propose a quantum algorithm which uses the number of qubits in an optimal way and efficiently simulates a physical model with rich and complex dynamics described by the quantum sawtooth map. The numerical study of the effect of static imperfections in the quantum computer hardware shows that the main elements of the phase space structures are accurately reproduced up to a time scale which is polynomial in the number of qubits. The errors generated by these imperfections are more significant than the errors of random noise in gate operations.
Quantum model for the price dynamics
NASA Astrophysics Data System (ADS)
Choustova, Olga
2008-10-01
We apply methods of quantum mechanics to mathematical modelling of price dynamics in a financial market. We propose to describe behavioral financial factors (e.g., expectations of traders) by using the pilot wave (Bohmian) model of quantum mechanics. Our model is a quantum-like model of the financial market, cf. with works of W. Segal, I.E. Segal, E. Haven. In this paper we study the problem of smoothness of price-trajectories in the Bohmian financial model. We show that even the smooth evolution of the financial pilot wave [psi](t,x) (representing expectations of traders) can induce jumps of prices of shares.
Origin of Dynamical Quantum Non-locality
NASA Astrophysics Data System (ADS)
Pachon, Cesar E.; Pachon, Leonardo A.
2014-03-01
Non-locality is one of the hallmarks of quantum mechanics and is responsible for paradigmatic features such as entanglement and the Aharonov-Bohm effect. Non-locality comes in two ``flavours'': a kinematic non-locality- arising from the structure of the Hilbert space- and a dynamical non-locality- arising from the quantum equations of motion-. Kinematic non-locality is unable to induce any change in the probability distributions, so that the ``action-at-a-distance'' cannot manifest. Conversely, dynamical non-locality does create explicit changes in probability, though in a ``causality-preserving'' manner. The origin of non-locality of quantum measurements and its relations to the fundamental postulates of quantum mechanics, such as the uncertainty principle, have been only recently elucidated. Here we trace the origin of dynamical non-locality to the superposition principle. This relation allows us to establish and identify how the uncertainty and the superposition principles determine the non-local character of the outcome of a quantum measurement. Being based on group theoretical and path integral formulations, our formulation admits immediate generalizations and extensions to to, e.g., quantum field theory. This work was supported by the Departamento Administrativo de Ciencia, Tecnologia e Innovacion -COLCIENCIAS- of Colombia under the grant number 111556934912.
Dissipative particle dynamics simulation on paclitaxel loaded PEO-PPO-PEO block copolymer micelles.
Wang, Zhigao; Jiang, Jie
2014-03-01
Self-assembly behavior of the polymer drug loading micelle PEO-PPO-PEO was studied using dissipative particle dynamics (DPD) simulation method with various simulation steps. The distributions of drugs in polymer carriers were also investigated with different drug feed ratios. Polymer carriers distributed on the surface of the spherical micelle, and drugs were almost encapsulated in the inner of the micelle. Our simulation work demonstrates that the DPD simulation is effective to study the drug loaded systems and can give useful guidance on the design and preparation of new drug carriers with tailored properties.
Pastewka, Lars; Kauzlarić, David; Greiner, Andreas; Korvink, Jan G
2006-03-01
We present a Markov process which models particle hydrodynamics with conservation of the first three momenta. This is achieved by extending the [Peters, Europhys. Lett. 66, 311 (2004)] and [Lowe, Europhys. Lett. 47, 145 (1999)] method to incorporate energy conservation. The equivalence of the energy conserving Peters method and dissipative particle dynamics with energy conservation (DPDE) in the limit of a vanishing time step is shown. Simple numerical experiments clearly demonstrate the applicability of the methods. This overcomes current limitations of DPDE in the study of complex fluids in the (N,V,E) ensemble.
Homman, Ahmed-Amine; Maillet, Jean-Bernard; Roussel, Julien; Stoltz, Gabriel
2016-01-14
This work presents new parallelizable numerical schemes for the integration of dissipative particle dynamics with energy conservation. So far, no numerical scheme introduced in the literature is able to correctly preserve the energy over long times and give rise to small errors on average properties for moderately small time steps, while being straightforwardly parallelizable. We present in this article two new methods, both straightforwardly parallelizable, allowing to correctly preserve the total energy of the system. We illustrate the accuracy and performance of these new schemes both on equilibrium and nonequilibrium parallel simulations.
Luo, Biao; Wu, Huai-Ning; Li, Han-Xiong
2015-04-01
Highly dissipative nonlinear partial differential equations (PDEs) are widely employed to describe the system dynamics of industrial spatially distributed processes (SDPs). In this paper, we consider the optimal control problem of the general highly dissipative SDPs, and propose an adaptive optimal control approach based on neuro-dynamic programming (NDP). Initially, Karhunen-Loève decomposition is employed to compute empirical eigenfunctions (EEFs) of the SDP based on the method of snapshots. These EEFs together with singular perturbation technique are then used to obtain a finite-dimensional slow subsystem of ordinary differential equations that accurately describes the dominant dynamics of the PDE system. Subsequently, the optimal control problem is reformulated on the basis of the slow subsystem, which is further converted to solve a Hamilton-Jacobi-Bellman (HJB) equation. HJB equation is a nonlinear PDE that has proven to be impossible to solve analytically. Thus, an adaptive optimal control method is developed via NDP that solves the HJB equation online using neural network (NN) for approximating the value function; and an online NN weight tuning law is proposed without requiring an initial stabilizing control policy. Moreover, by involving the NN estimation error, we prove that the original closed-loop PDE system with the adaptive optimal control policy is semiglobally uniformly ultimately bounded. Finally, the developed method is tested on a nonlinear diffusion-convection-reaction process and applied to a temperature cooling fin of high-speed aerospace vehicle, and the achieved results show its effectiveness.
Energy-conserving dissipative particle dynamics with temperature-dependent properties
Li, Zhen; Tang, Yu-Hang; Lei, Huan; Caswell, Bruce; Karniadakis, George E.
2014-05-01
The dynamic properties of fluid, including diffusivity and viscosity, are temperature-dependent and can significantly influence the flow dynamics of mesoscopic non-isothermal systems. To capture the correct temperature-dependence of a fluid, an energy-conserving dissipative particle dynamics (eDPD) model is developed by expressing the weighting terms of the dissipative force and the random force as functions of temperature. The diffusivity and viscosity of liquid water at various temperatures ranging from 273 K to 373 K are used as examples for verifying the proposed model. Simulations of a Poiseuille flow and a steady case of heat conduction for reproducing the Fourier law are carried out to validate the present eDPD formulation and the thermal boundary conditions. Results show that the present eDPD model recovers the standard DPD model when isothermal fluid systems are considered. For non-isothermal fluid systems, the present model can predict the diffusivity and viscosity consistent with available experimental data of liquid water at various temperatures. Moreover, an analytical formula for determining the mesoscopic heat friction is proposed. The validity of the formula is confirmed by reproducing the experimental data for Prandtl number of liquid water at various temperatures. The proposed method is demonstrated in water but it can be readily extended to other liquids. (C) 2014 Elsevier Inc. All rights reserved.
On the numerical treatment of dissipative particle dynamics and related systems
Leimkuhler, Benedict Shang, Xiaocheng
2015-01-01
We review and compare numerical methods that simultaneously control temperature while preserving the momentum, a family of particle simulation methods commonly used for the modelling of complex fluids and polymers. The class of methods considered includes dissipative particle dynamics (DPD) as well as extended stochastic-dynamics models incorporating a generalized pairwise thermostat scheme in which stochastic forces are eliminated and the coefficient of dissipation is treated as an additional auxiliary variable subject to a feedback (kinetic energy) control mechanism. In the latter case, we consider the addition of a coupling of the auxiliary variable, as in the Nosé–Hoover–Langevin (NHL) method, with stochastic dynamics to ensure ergodicity, and find that the convergence of ensemble averages is substantially improved. To this end, splitting methods are developed and studied in terms of their thermodynamic accuracy, two-point correlation functions, and convergence. In terms of computational efficiency as measured by the ratio of thermodynamic accuracy to CPU time, we report significant advantages in simulation for the pairwise NHL method compared to popular alternative schemes (up to an 80% improvement), without degradation of convergence rate. The momentum-conserving thermostat technique described here provides a consistent hydrodynamic model in the low-friction regime, but it will also be of use in both equilibrium and nonequilibrium molecular simulation applications owing to its efficiency and simple numerical implementation.
Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Leimkuhler, Benedict; Shang, Xiaocheng
2016-11-01
We examine the formulation and numerical treatment of dissipative particle dynamics (DPD) and momentum-conserving molecular dynamics. We show that it is possible to improve both the accuracy and the stability of DPD by employing a pairwise adaptive Langevin thermostat that precisely matches the dynamical characteristics of DPD simulations (e.g., autocorrelation functions) while automatically correcting thermodynamic averages using a negative feedback loop. In the low friction regime, it is possible to replace DPD by a simpler momentum-conserving variant of the Nosé-Hoover-Langevin method based on thermostatting only pairwise interactions; we show that this method has an extra order of accuracy for an important class of observables (a superconvergence result), while also allowing larger timesteps than alternatives. All the methods mentioned in the article are easily implemented. Numerical experiments are performed in both equilibrium and nonequilibrium settings; using Lees-Edwards boundary conditions to induce shear flow.
Quantum statistical effects on fusion dynamics of heavy ions
Ayik, S.; Yilmaz, B.; Gokalp, A.; Yilmaz, O.; Takigawa, N.
2005-05-01
To describe the fusion of two very heavy nuclei at near barrier energies, a generalized Langevin approach is proposed. The approach incorporates the quantum statistical fluctuations in accordance with the fluctuation and dissipation theorem. It is illustrated that the quantum statistical effects introduce an enhancement of the formation of a compound nucleus, though the quantum enhancement is somewhat less pronounced as indicated in the previous calculations.
Stochastic solution to quantum dynamics
NASA Technical Reports Server (NTRS)
John, Sarah; Wilson, John W.
1994-01-01
The quantum Liouville equation in the Wigner representation is solved numerically by using Monte Carlo methods. For incremental time steps, the propagation is implemented as a classical evolution in phase space modified by a quantum correction. The correction, which is a momentum jump function, is simulated in the quasi-classical approximation via a stochastic process. The technique, which is developed and validated in two- and three- dimensional momentum space, extends an earlier one-dimensional work. Also, by developing a new algorithm, the application to bound state motion in an anharmonic quartic potential shows better agreement with exact solutions in two-dimensional phase space.
Bose-Hubbard model: Relation between driven-dissipative steady states and equilibrium quantum phases
NASA Astrophysics Data System (ADS)
Le Boité, Alexandre; Orso, Giuliano; Ciuti, Cristiano
2014-12-01
We present analytical solutions for the mean-field master equation of the driven-dissipative Bose-Hubbard model for cavity photons, in the limit of both weak pumping and weak dissipation. Instead of pure Mott-insulator states, we find statistical mixtures with the same second-order coherence g(2 )(0 ) as a Fock state with n photons, but a mean photon number of n /2 . These mixed states occur when n pump photons have the same energy as n interacting photons inside the nonlinear cavity and survive up to a critical tunneling coupling strength, above which a crossover to a classical coherent state takes place. We also explain the origin of both antibunching and superbunching predicted by P-representation mean-field theory at higher pumping and dissipation. In particular, we show that the strongly correlated region of the associated phase diagram cannot be described within the semiclassical Gross-Pitaevskii approach.
Role of dissipation in biasing the vacuum selection in quantum field theory at finite temperature
Freire, F.; Achucarro, A.; Antunes, N.D.; Salmi, P.
2005-08-15
We study the symmetry breaking pattern of an O(4) symmetric model of scalar fields, with both charged and neutral fields, interacting with a photon bath. Nagasawa and Brandenberger argued that in favorable circumstances the vacuum manifold would be reduced from S{sup 3} to S{sup 1}. Here it is shown that a selective condensation of the neutral fields, that are not directly coupled to photons, can be achieved in the presence of a minimal external dissipation, i.e. not related to interactions with a bath. This should be relevant in the early universe or in heavy-ion collisions where dissipation occurs due to expansion.
Relaxation dynamics in correlated quantum dots
Andergassen, S.; Schuricht, D.; Pletyukhov, M.; Schoeller, H.
2014-12-04
We study quantum many-body effects on the real-time evolution of the current through quantum dots. By using a non-equilibrium renormalization group approach, we provide analytic results for the relaxation dynamics into the stationary state and identify the microscopic cutoff scales that determine the transport rates. We find rich non-equilibrium physics induced by the interplay of the different energy scales. While the short-time limit is governed by universal dynamics, the long-time behavior features characteristic oscillations as well as an interplay of exponential and power-law decay.
Nuclear quantum dynamics in dense hydrogen
Kang, Dongdong; Sun, Huayang; Dai, Jiayu; Chen, Wenbo; Zhao, Zengxiu; Hou, Yong; Zeng, Jiaolong; Yuan, Jianmin
2014-01-01
Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-integral molecular dynamics simulations, we investigated the nuclear quantum dynamics regarding transport behaviors of dense hydrogen up to the temperatures of 1 eV. With the inclusion of nuclear quantum effects (NQEs), the ionic diffusions are largely higher than the classical treatment by the magnitude from 20% to 146% as the temperature is decreased from 1 eV to 0.3 eV at 10 g/cm3, meanwhile, electrical and thermal conductivities are significantly lowered. In particular, the ionic diffusion is found much larger than that without NQEs even when both the ionic distributions are the same at 1 eV. The significant quantum delocalization of ions introduces remarkably different scattering cross section between protons compared with classical particle treatments, which explains the large difference of transport properties induced by NQEs. The Stokes-Einstein relation, Wiedemann-Franz law, and isotope effects are re-examined, showing different behaviors in nuclear quantum dynamics. PMID:24968754
Grafmüller, Andrea; Shillcock, Julian; Lipowsky, Reinhard
2009-04-08
The fusion of lipid bilayers is studied with dissipative particle dynamics simulations. First, to achieve control over membrane properties, the effects of individual simulation parameters are studied and optimized. Then, a large number of fusion events for a vesicle and a planar bilayer are simulated using the optimized parameter set. In the observed fusion pathway, configurations of individual lipids play an important role. Fusion starts with individual lipids assuming a splayed tail configuration with one tail inserted in each membrane. To determine the corresponding energy barrier, we measure the average work for interbilayer flips of a lipid tail, i.e., the average work to displace one lipid tail from one bilayer to the other. This energy barrier is found to depend strongly on a certain dissipative particle dynamics parameter, and, thus, can be adjusted in the simulations. Overall, three subprocesses have been identified in the fusion pathway. Their energy barriers are estimated to lie in the range 8-15 k(B)T. The fusion probability is found to possess a maximum at intermediate tension values. As one decreases the tension, the fusion probability seems to vanish before the tensionless membrane state is attained. This would imply that the tension has to exceed a certain threshold value to induce fusion.
NASA Astrophysics Data System (ADS)
Mo, Chao-jie; Qin, Li-zi; Zhao, Fei; Yang, Li-jun
2016-12-01
We investigate the application of the dissipative particle dynamics method to the instability problem of a long liquid thread surrounded by another fluid. The dispersion curves obtained from simulations are compared with classic theoretical predictions. The results from standard dissipative particle dynamics (DPD) simulations at first have a tendency of gradually approaching to Tomotika's Stokes flow prediction when the Reynolds number is decreased. But they then abnormally deviate again when the viscosity is very large. The same phenomenon is also confirmed in droplet retraction simulations when also compared with theoretical Stokes flow results. On the other hand, when a hard-core DPD model is used, with the decrease of the Reynolds number the simulation results did finally approach Tomotika's predictions when Re ≈0.1 . A combined presentation of the hard-core DPD results and the standard DPD results, excluding the abnormal ones, demonstrates that they are approximately on a continuum when labeled with Reynolds number. These results suggest that the standard DPD method is a suitable method for investigation of the instability problem of immersed liquid thread in the inertioviscous regime (0.1
Mo, Chao-Jie; Qin, Li-Zi; Zhao, Fei; Yang, Li-Jun
2016-12-01
We investigate the application of the dissipative particle dynamics method to the instability problem of a long liquid thread surrounded by another fluid. The dispersion curves obtained from simulations are compared with classic theoretical predictions. The results from standard dissipative particle dynamics (DPD) simulations at first have a tendency of gradually approaching to Tomotika's Stokes flow prediction when the Reynolds number is decreased. But they then abnormally deviate again when the viscosity is very large. The same phenomenon is also confirmed in droplet retraction simulations when also compared with theoretical Stokes flow results. On the other hand, when a hard-core DPD model is used, with the decrease of the Reynolds number the simulation results did finally approach Tomotika's predictions when Re≈0.1. A combined presentation of the hard-core DPD results and the standard DPD results, excluding the abnormal ones, demonstrates that they are approximately on a continuum when labeled with Reynolds number. These results suggest that the standard DPD method is a suitable method for investigation of the instability problem of immersed liquid thread in the inertioviscous regime (0.1
Soares, Joao S; Gao, Chao; Alemu, Yared; Slepian, Marvin; Bluestein, Danny
2013-11-01
Stresses on blood cellular constituents induced by blood flow can be represented by a continuum approach down to the μm level; however, the molecular mechanisms of thrombosis and platelet activation and aggregation are on the order of nm. The coupling of the disparate length and time scales between molecular and macroscopic transport phenomena represents a major computational challenge. In order to bridge the gap between macroscopic flow scales and the cellular scales with the goal of depicting and predicting flow induced thrombogenicity, multi-scale approaches based on particle methods are better suited. We present a top-scale model to describe bulk flow of platelet suspensions: we employ dissipative particle dynamics to model viscous flow dynamics and present a novel and general no-slip boundary condition that allows the description of three-dimensional viscous flows through complex geometries. Dissipative phenomena associated with boundary layers and recirculation zones are observed and favorably compared to benchmark viscous flow solutions (Poiseuille and Couette flows). Platelets in suspension, modeled as coarse-grained finite-sized ensembles of bound particles constituting an enclosed deformable membrane with flat ellipsoid shape, show self-orbiting motions in shear flows consistent with Jeffery's orbits, and are transported with the flow, flipping and colliding with the walls and interacting with other platelets.
Bar-Sinai, Yohai; Spatschek, Robert; Brener, Efim A; Bouchbinder, Eran
2015-01-19
Frictional interfaces abound in natural and man-made systems, yet their dynamics are not well-understood. Recent extensive experimental data have revealed that velocity-strengthening friction, where the steady-state frictional resistance increases with sliding velocity over some range, is a generic feature of such interfaces. This physical behavior has very recently been linked to slow stick-slip motion. Here we elucidate the importance of velocity-strengthening friction by theoretically studying three variants of a realistic friction model, all featuring identical logarithmic velocity-weakening friction at small sliding velocities, but differ in their higher velocity behaviors. By quantifying energy partition (e.g. radiation and dissipation), the selection of interfacial rupture fronts and rupture arrest, we show that the presence or absence of strengthening significantly affects the global interfacial resistance and the energy release during frictional instabilities. Furthermore, we show that different forms of strengthening may result in events of similar magnitude, yet with dramatically different dissipation and radiation rates. This happens because the events are mediated by rupture fronts with vastly different propagation velocities, where stronger velocity-strengthening friction promotes slower rupture. These theoretical results may have significant implications on our understanding of frictional dynamics.
Ma, Xianghong
2016-01-01
The aim of this paper is to study the dynamic characteristics of micromechanical rectangular plates used as sensing elements in a viscous compressible fluid. A novel modelling procedure for the plate–fluid interaction problem is developed on the basis of linearized Navier–Stokes equations and no-slip conditions. Analytical expression for the fluid-loading impedance is obtained using a double Fourier transform approach. This modelling work provides us an analytical means to study the effects of inertial loading, acoustic radiation and viscous dissipation of the fluid acting on the vibration of microplates. The numerical simulation is conducted on microplates with different boundary conditions and fluids with different viscosities. The simulation results reveal that the acoustic radiation dominates the damping mechanism of the submerged microplates. It is also proved that microplates offer better sensitivities (Q-factors) than the conventional beam type microcantilevers being mass sensing platforms in a viscous fluid environment. The frequency response features of microplates under highly viscous fluid loading are studied using the present model. The dynamics of the microplates with all edges clamped are less influenced by the highly viscous dissipation of the fluid than the microplates with other types of boundary conditions. PMID:27118914
Fractal dynamics in chaotic quantum transport.
Kotimäki, V; Räsänen, E; Hennig, H; Heller, E J
2013-08-01
Despite several experiments on chaotic quantum transport in two-dimensional systems such as semiconductor quantum dots, corresponding quantum simulations within a real-space model have been out of reach so far. Here we carry out quantum transport calculations in real space and real time for a two-dimensional stadium cavity that shows chaotic dynamics. By applying a large set of magnetic fields we obtain a complete picture of magnetoconductance that indicates fractal scaling. In the calculations of the fractality we use detrended fluctuation analysis-a widely used method in time-series analysis-and show its usefulness in the interpretation of the conductance curves. Comparison with a standard method to extract the fractal dimension leads to consistent results that in turn qualitatively agree with the previous experimental data.
Compressing measurements in quantum dynamic parameter estimation
NASA Astrophysics Data System (ADS)
Magesan, Easwar; Cooper, Alexandre; Cappellaro, Paola
2013-12-01
We present methods that can provide an exponential savings in the resources required to perform dynamic parameter estimation using quantum systems. The key idea is to merge classical compressive sensing techniques with quantum control methods to significantly reduce the number of signal coefficients that are required for reconstruction of time-varying parameters with high fidelity. We show that incoherent measurement bases and, more generally, suitable random measurement matrices can be created by performing simple control sequences on the quantum system. Random measurement matrices satisfying the restricted isometry property can be used efficiently to reconstruct signals that are sparse in any basis. Because many physical processes are approximately sparse in some basis, these methods can benefit a variety of applications such as quantum sensing and magnetometry with nitrogen-vacancy centers.
Spin Dynamics of Charged Colloidal Quantum Dots
NASA Astrophysics Data System (ADS)
Stern, N. P.
2005-03-01
Colloidal semiconductor quantum dots are promising structures for controlling spin phenomena because of their highly size- tunable physical properties, ease of manufacture, and nanosecond-scale spin lifetimes at room temperature. Recent experiments have succeeded in controlling the charging of the lowest electronic state of colloidal quantum dots ootnotetextC. Wang, B. L. Wehrenberg, C. Y. Woo, and P. Guyot-Sionnest, J. Phys. Chem B 108, 9027 (2004).. Here we use time-resolved Faraday rotation measurements in the Voigt geometry to investigate the spin dynamics of colloidal CdSe quantum dot films in both a charged and uncharged state at room temperature. The charging of the film is controlled by applying a voltage in an electrochemical cell and is confirmed by absorbance measurements. Significant changes in the spin precession are observed upon charging, reflecting the voltage- controlled electron occupation of the quantum dot states and filling of surface states.
Quantum-to-classical crossover near quantum critical point
Vasin, M.; Ryzhov, V.; Vinokur, V. M.
2015-12-21
A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transitionmore » from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d+zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T)ε[0, 1] decreases with the temperature such that Λ(T=0) = 1 and Λ(T →∞) = 0. Lastly, our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover.« less
Quantum-to-classical crossover near quantum critical point
Vasin, M.; Ryzhov, V.; Vinokur, V. M.
2015-01-01
A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transition from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d + zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T) ∈ [0, 1] decreases with the temperature such that Λ(T = 0) = 1 and Λ(T → ∞) = 0. Our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover. PMID:26688102
Quantum-to-classical crossover near quantum critical point
Vasin, M.; Ryzhov, V.; Vinokur, V. M.
2015-12-21
A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transition from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d+zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T)ε[0, 1] decreases with the temperature such that Λ(T=0) = 1 and Λ(T →∞) = 0. Lastly, our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover.
Quantum-to-classical crossover near quantum critical point.
Vasin, M; Ryzhov, V; Vinokur, V M
2015-12-21
A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transition from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d + zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T) ∈ [0, 1] decreases with the temperature such that Λ(T = 0) = 1 and Λ(T → ∞) = 0. Our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover.
Pure Gaussian states from quantum harmonic oscillator chains with a single local dissipative process
NASA Astrophysics Data System (ADS)
Ma, Shan; Woolley, Matthew J.; Petersen, Ian R.; Yamamoto, Naoki
2017-03-01
We study the preparation of entangled pure Gaussian states via reservoir engineering. In particular, we consider a chain consisting of (2\\aleph +1) quantum harmonic oscillators where the central oscillator of the chain is coupled to a single reservoir. We then completely parametrize the class of (2\\aleph +1) -mode pure Gaussian states that can be prepared by this type of quantum harmonic oscillator chain. This parametrization allows us to determine the steady-state entanglement properties of such quantum harmonic oscillator chains.
Understanding molecular dynamics quantum-state by quantum-state
Lawrance, W.D.; Moore, C.B.; Petek, H.
1985-02-22
It is now possible to resolve completely the initial and final quantum states in chemical processes. Spectra of reactive intermediates, of highly vibrationally excited molecules, and even of molecules in the process of falling apart have been recorded. This information has led to greater understanding of the molecular structure and dynamics of small gas-phase molecules. Many of the concepts and spectroscopic techniques that have been developed will be valuable throughout chemistry.
Lei, Huan; Baker, Nathan A.; Wu, Lei; Schenter, Gregory K.; Mundy, Christopher J.; Tartakovsky, Alexandre M.
2016-08-05
Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension, we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.
Li, Zhen; Bian, Xin; Caswell, Bruce; Karniadakis, George Em
2014-11-21
We present a bottom-up coarse-graining procedure to construct mesoscopic force fields directly from microscopic dynamics. By grouping many bonded atoms in the molecular dynamics (MD) system into a single cluster, we compute both the conservative and non-conservative interactions between neighboring clusters. In particular, we perform MD simulations of polymer melts to provide microscopic trajectories for evaluating coarse-grained (CG) interactions. Subsequently, dissipative particle dynamics (DPD) is considered as the effective dynamics resulting from the Mori-Zwanzig (MZ) projection of the underlying atomistic dynamics. The forces between finite-size clusters have, in general, both radial and transverse components and hence we employ four different DPD models to account differently for such interactions. Quantitative comparisons between these DPD models indicate that the DPD models with MZ-guided force fields yield much better static and dynamics properties, which are consistent with the underlying MD system, compared to standard DPD with empirical formulae. When the rotational motion of the particle is properly taken into account, the entire velocity autocorrelation function of the MD system as well as the pair correlation function can be accurately reproduced by the MD-informed DPD model. Since this coarse-graining procedure is performed on an unconstrained MD system, our framework is general and can be used in other soft matter systems in which the clusters can be faithfully defined as CG particles.
Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems
NASA Astrophysics Data System (ADS)
Li, Zhen; Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em
2015-07-01
We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between tDPD particles, and the advection is implicitly considered by the movements of these Lagrangian particles. An analytical formula is proposed to relate the tDPD parameters to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the conventional DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers.
Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems
Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em
2015-01-01
We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between tDPD particles, and the advection is implicitly considered by the movements of these Lagrangian particles. An analytical formula is proposed to relate the tDPD parameters to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the conventional DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers. PMID:26156459
Intrinsic spin dynamics in semiconductor quantum dots
NASA Astrophysics Data System (ADS)
Valín-Rodríguez, Manuel
2005-12-01
We investigate the characteristic spin dynamics corresponding to semiconductor quantum dots within the multiband envelope function approximation (EFA). By numerically solving an 8 × 8 k·p Hamiltonian we treat systems based on different III-V semiconductor materials. It is shown that, even in the absence of an applied magnetic field, these systems show intrinsic spin dynamics governed by intraband and interband transitions leading to characteristic spin frequencies ranging from THz to optical frequencies.
Dynamical initial conditions in quantum cosmology.
Bojowald, M
2001-09-17
Loop quantum cosmology is shown to provide both the dynamical law and initial conditions for the wave function of a universe by one discrete evolution equation. Accompanied by the condition that semiclassical behavior is obtained at large volume, a unique wave function is predicted.
Extrema Principles Of Dissipation In Fluids
NASA Technical Reports Server (NTRS)
Horne, W. Clifton; Karamcheti, Krishnamurty
1991-01-01
Report discusses application of principle of least action and other variational or extrema principles to dissipation of energy and production of entropy in fluids. Principle of least action applied successfully to dynamics of particles and to quantum mechanics, but not universally accepted that variational principles applicable to thermodynamics and hydrodynamics. Report argues for applicability of some extrema principles to some simple flows.
Chaotic Behaviour in Quantum Dynamics.
1986-12-01
1.6 Relevance of Classical Analisys to the Problem of Microwave Ionization The other nonconservative system discussed in this report - the H-atom in...a microwave field - had never been sublected to quantum analisys , neither theoretical nor computational, up to the start of our program. Nevertheless...m, . A2) can tie expanded in a double Fourier series in the angle variables Xi, X2: (I,, A, ,klk2 Z= > (ni, n,, n) e i(0 K C) The coefficeuts z ,i can
Multiscale modeling of particle in suspension with smoothed dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Bian, Xin; Litvinov, Sergey; Qian, Rui; Ellero, Marco; Adams, Nikolaus A.
2012-01-01
We apply smoothed dissipative particle dynamics (SDPD) [Español and Revenga, Phys. Rev. E 67, 026705 (2003)] to model solid particles in suspension. SDPD is a thermodynamically consistent version of smoothed particle hydrodynamics (SPH) and can be interpreted as a multiscale particle framework linking the macroscopic SPH to the mesoscopic dissipative particle dynamics (DPD) method. Rigid structures of arbitrary shape embedded in the fluid are modeled by frozen particles on which artificial velocities are assigned in order to satisfy exactly the no-slip boundary condition on the solid-liquid interface. The dynamics of the rigid structures is decoupled from the solvent by solving extra equations for the rigid body translational/angular velocities derived from the total drag/torque exerted by the surrounding liquid. The correct scaling of the SDPD thermal fluctuations with the fluid-particle size allows us to describe the behavior of the particle suspension on spatial scales ranging continuously from the diffusion-dominated regime typical of sub-micron-sized objects towards the non-Brownian regime characterizing macro-continuum flow conditions. Extensive tests of the method are performed for the case of two/three dimensional bulk particle-system both in Brownian/ non-Brownian environment showing numerical convergence and excellent agreement with analytical theories. Finally, to illustrate the ability of the model to couple with external boundary geometries, the effect of confinement on the diffusional properties of a single sphere within a micro-channel is considered, and the dependence of the diffusion coefficient on the wall-separation distance is evaluated and compared with available analytical results.
Quantum dynamics of the parametric oscillator
NASA Astrophysics Data System (ADS)
Kinsler, P.; Drummond, P. D.
1991-06-01
We present dynamical calculations for the quantum parametric oscillator using both number-state and coherent-state bases. The coherent-state methods use the positive-P representation, which has a nonclassical phase space-an essential requirement in obtaining an exact stochastic representation of this nonlinear problem. This also provides a way to directly simulate quantum tunneling between the two above-threshold stable states of the oscillator. The coherent-state methods provide both analytic results at large photon numbers, and numerical results for any photon number, while our number-state calculations are restricted to numerical results in the low-photon-number regime. The number-state and coherent-state methods give precise agreement within the accuracy of the numerical calculations. We also compare our results with methods based on a truncated Wigner representation equivalent to stochastic electrodynamics, and find that these are unable to correctly predict the tunneling rate given by the other methods. An interesting feature of the results is the much faster tunneling predicted by the exact quantum-theory methods compared with earlier semiclassical calculations using an approximate potential barrier. This is similar to the faster tunneling found when comparing quantum penetration of a barrier to classical thermal activation. The quantum parametric oscillator, which has an exact steady-state solution, therefore provides a useful and accessible system in which nonlinear quantum effects can be studied far from thermal equilibrium.
Johnson, Chris; Natarajan, Venkatesh; Antoniou, Chris
2014-01-01
Suspension mammalian cell cultures in aerated stirred tank bioreactors are widely used in the production of monoclonal antibodies. Given that production scale cell culture operations are typically performed in very large bioreactors (≥ 10,000 L), bioreactor scale-down and scale-up become crucial in the development of robust cell-culture processes. For successful scale-up and scale-down of cell culture operations, it is important to understand the scale-dependence of the distribution of the energy dissipation rates in a bioreactor. Computational fluid dynamics (CFD) simulations can provide an additional layer of depth to bioreactor scalability analysis. In this communication, we use CFD analyses of five bioreactor configurations to evaluate energy dissipation rates and Kolmogorov length scale distributions at various scales. The results show that hydrodynamic scalability is achievable as long as major design features (# of baffles, impellers) remain consistent across the scales. Finally, in all configurations, the mean Kolmogorov length scale is substantially higher than the average cell size, indicating that catastrophic cell damage due to mechanical agitation is highly unlikely at all scales.
NASA Astrophysics Data System (ADS)
Juno, J.; Hakim, A.; TenBarge, J.; Dorland, W.
2015-12-01
We present for the first time results for the turbulence dissipation challenge, with specific focus on the linear wave portion of the challenge, using a variety of continuum kinetic models: hybrid Vlasov-Maxwell, gyrokinetic, and full Vlasov-Maxwell. As one of the goals of the wave problem as it is outlined is to identify how well various models capture linear physics, we compare our results to linear Vlasov and gyrokinetic theory. Preliminary gyrokinetic results match linear theory extremely well due to the geometry of the problem, which eliminates the dominant nonlinearity. With the non-reduced models, we explore how the subdominant nonlinearities manifest and affect the evolution of the turbulence and the energy budget. We also take advantage of employing continuum methods to study the dynamics of the distribution function, with particular emphasis on the full Vlasov results where a basic collision operator has been implemented. As the community prepares for the next stage of the turbulence dissipation challenge, where we hope to do large 3D simulations to inform the next generation of observational missions such as THOR (Turbulence Heating ObserveR), we argue for the consideration of hybrid Vlasov and full Vlasov as candidate models for these critical simulations. With the use of modern numerical algorithms, we demonstrate the competitiveness of our code with traditional particle-in-cell algorithms, with a clear plan for continued improvements and optimizations to further strengthen the code's viability as an option for the next stage of the challenge.
Instability of quantum equilibrium in Bohm's dynamics
Colin, Samuel; Valentini, Antony
2014-01-01
We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for ‘extended’ non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation. PMID:25383020
Dynamics of a Landau-Zener transitions in a two-level system driven by a dissipative environment
NASA Astrophysics Data System (ADS)
Ateuafack, M. E.; Diffo, J. T.; Fai, L. C.
2016-02-01
The paper investigates the effects of a two-level quantum system coupled to transversal and longitudinal dissipative environment. The time-dependent phase accumulation, LZ transition probability and entropy in the presence of fast-ohmic, sub-ohmic and super-ohmic quantum noise are derived. Analytical results are obtained in terms of temperature, dissipation strength, LZ parameter and bath cutoff frequency. The bath is observed to modify the standard occupation difference by a decaying random phase factor and also produces dephasing during the transfer of population. The dephasing characteristics or the initial non-zero decoherence rate are observed to increase in time with the bath temperature and depend on the system-bath coupling strength and cutoff frequency. These parameters are found to strongly affect the memory and thus tailor the coherence process of the system.
Quantum dynamics in the thermodynamic limit
Wezel, Jasper van
2008-08-01
The description of spontaneous symmetry breaking that underlies the connection between classically ordered objects in the thermodynamic limit and their individual quantum-mechanical building blocks is one of the cornerstones of modern condensed-matter theory and has found applications in many different areas of physics. The theory of spontaneous symmetry breaking, however, is inherently an equilibrium theory, which does not address the dynamics of quantum systems in the thermodynamic limit. Here, we will use the example of a particular antiferromagnetic model system to show that the presence of a so-called thin spectrum of collective excitations with vanishing energy - one of the well-known characteristic properties shared by all symmetry-breaking objects - can allow these objects to also spontaneously break time-translation symmetry in the thermodynamic limit. As a result, that limit is found to be able, not only to reduce quantum-mechanical equilibrium averages to their classical counterparts, but also to turn individual-state quantum dynamics into classical physics. In the process, we find that the dynamical description of spontaneous symmetry breaking can also be used to shed some light on the possible origins of Born's rule. We conclude by describing an experiment on a condensate of exciton polaritons which could potentially be used to experimentally test the proposed mechanism.
NON-EQUILIBRIUM DYNAMICS OF MANY-BODY QUANTUM SYSTEMS: FUNDAMENTALS AND NEW FRONTIER
DeMille, David; LeHur, Karyn
2013-11-27
Rapid progress in nanotechnology and naofabrication techniques has ushered in a new era of quantum transport experiments. This has in turn heightened the interest in theoretical understanding of nonequilibrium dynamics of strongly correlated quantum systems. This project has advanced the frontiers of understanding in this area along several fronts. For example, we showed that under certain conditions, quantum impurities out of equilibrium can be reformulated in terms of an effective equilibrium theory; this makes it possible to use the gamut of tools available for quantum systems in equilibrium. On a different front, we demonstrated that the elastic power of a transmitted microwave photon in circuit QED systems can exhibit a many-body Kondo resonance. We also showed that under many circumstances, bipartite fluctuations of particle number provide an effective tool for studying many-body physics—particularly the entanglement properties of a many-body system. This implies that it should be possible to measure many-body entanglement in relatively simple and tractable quantum systems. In addition, we studied charge relaxation in quantum RC circuits with a large number of conducting channels, and elucidated its relation to Kondo models in various regimes. We also extended our earlier work on the dynamics of driven and dissipative quantum spin-boson impurity systems, deriving a new formalism that makes it possible to compute the full spin density matrix and spin-spin correlation functions beyond the weak coupling limit. Finally, we provided a comprehensive analysis of the nonequilibrium transport near a quantum phase transition in the case of a spinless dissipative resonant-level model. This project supported the research of two Ph.D. students and two postdoctoral researchers, whose training will allow them to further advance the field in coming years.
Communication: quantum dynamics in classical spin baths.
Sergi, Alessandro
2013-07-21
A formalism for studying the dynamics of quantum systems embedded in classical spin baths is introduced. The theory is based on generalized antisymmetric brackets and predicts the presence of open-path off-diagonal geometric phases in the evolution of the density matrix. The weak coupling limit of the equation can be integrated by standard algorithms and provides a non-Markovian approach to the computer simulation of quantum systems in classical spin environments. It is expected that the theory and numerical schemes presented here have a wide applicability.
Guo, Jiayi; Li, Xuejin; Liu, Yuan; Liang, Haojun
2011-04-07
The dynamics of flow-induced translocation of polymers through a fluidic channel has been studied by dissipative particle dynamics (DPD) approach. Unlike implicit solvent models, the many-body energetic and hydrodynamic interactions are preserved naturally by incorporating explicit solvent particles in this approach. The no-slip wall boundary and the adaptive boundary conditions have been implemented in the modified DPD approach to model the hydrodynamic flow within a specific wall structure of fluidic channel and control the particles' density fluctuations. The results show that the average translocation time versus polymer chain length satisfies a power-law scaling of τ ∼N(1.152). The conformational changes and translocation dynamics of polymers through the fluidic channel have also been investigated in our simulations, and two different translocation processes, i.e., the single-file and double-folded translocation events, have been observed in detail. These findings may be helpful in understanding the conformational and dynamic behaviors of such polymer and/or DNA molecules during the translocation processes.
Many-body dissipative particle dynamics simulation of liquid/vapor and liquid/solid interactions
NASA Astrophysics Data System (ADS)
Arienti, Marco; Pan, Wenxiao; Li, Xiaoyi; Karniadakis, George
2011-05-01
The combination of short-range repulsive and long-range attractive forces in many-body dissipative particle dynamics (MDPD) is examined at a vapor/liquid and liquid/solid interface. Based on the radial distribution of the virial pressure in a drop at equilibrium, a systematic study is carried out to characterize the sensitivity of the surface tension coefficient with respect to the inter-particle interaction parameters. For the first time, the approximately cubic dependence of the surface tension coefficient on the bulk density of the fluid is evidenced. In capillary flow, MDPD solutions are shown to satisfy the condition on the wavelength of an axial disturbance leading to the pinch-off of a cylindrical liquid thread; correctly, no pinch-off occurs below the cutoff wavelength. Moreover, in an example that illustrates the cascade of fluid dynamics behaviors from potential to inertial-viscous to stochastic flow, the dynamics of the jet radius is consistent with the power law predictions of asymptotic analysis. To model interaction with a solid wall, MDPD is augmented by a set of bell-shaped weight functions; hydrophilic and hydrophobic behaviors, including the occurrence of slip in the latter, are reproduced using a modification in the weight function that avoids particle clustering. The dynamics of droplets entering an inverted Y-shaped fracture junction is shown to be correctly captured in simulations parametrized by the Bond number, confirming the flexibility of MDPD in modeling interface-dominated flows.
Goujon, Florent; Malfreyt, Patrice; Tildesley, Dominic J
2008-07-21
We use a simple spring-spring repulsion to model entanglements between polymers in dissipative particle dynamics (DPD) simulations. The model is applied to a polymer brushes system to study lubrication. We demonstrate that this method leads to mechanical equilibrium in polymer brushes using the normal DPD time step. The number of bond crossings is calculated to provide a quantitative description of the entanglement. We demonstrate that it is possible to avoid 99% of the bond crossings with the values of spring-spring repulsion that can be used without significantly decreasing the time step. A shear force is applied to the system to study the effect of the decrease in the bond crossings on the structure and rheological properties of the brushes. In particular, we show how the friction coefficient increases with the decrease in the bond crossings of the polymers.
Determination of macroscopic transport coefficients of a dissipative particle dynamics solvent
NASA Astrophysics Data System (ADS)
Azarnykh, Dmitrii; Litvinov, Sergey; Bian, Xin; Adams, Nikolaus A.
2016-01-01
We present an approach to determine macroscopic transport coefficients of a dissipative particle dynamics (DPD) solvent. Shear viscosity, isothermal speed of sound, and bulk viscosity result from DPD-model input parameters and can be determined only a posteriori. For this reason approximate predictions of these quantities are desirable in order to set appropriate DPD input parameters. For the purpose of deriving an improved approximate prediction we analyze the autocorrelation of shear and longitudinal modes in Fourier space of a DPD solvent for Kolmogorov flow. We propose a fitting function with nonexponential properties which gives a good approximation to these autocorrelation functions. Given this fitting function we improve significantly the capability of a priori determination of macroscopic solvent transport coefficients in comparison to previously used exponential fitting functions.
Dissipative particle dynamics of diffusion-NMR requires high Schmidt-numbers
NASA Astrophysics Data System (ADS)
Azhar, Mueed; Greiner, Andreas; Korvink, Jan G.; Kauzlarić, David
2016-06-01
We present an efficient mesoscale model to simulate the diffusion measurement with nuclear magnetic resonance (NMR). On the level of mesoscopic thermal motion of fluid particles, we couple the Bloch equations with dissipative particle dynamics (DPD). Thereby we establish a physically consistent scaling relation between the diffusion constant measured for DPD-particles and the diffusion constant of a real fluid. The latter is based on a splitting into a centre-of-mass contribution represented by DPD, and an internal contribution which is not resolved in the DPD-level of description. As a consequence, simulating the centre-of-mass contribution with DPD requires high Schmidt numbers. After a verification for fundamental pulse sequences, we apply the NMR-DPD method to NMR diffusion measurements of anisotropic fluids, and of fluids restricted by walls of microfluidic channels. For the latter, the free diffusion and the localisation regime are considered.
Oligomer stability of Amyloid- β (A β) 25-35: A Dissipative Particle Dynamics study
NASA Astrophysics Data System (ADS)
Pivkin, Igor; Peter, Emanuel
Alzheimer's disease is strongly associated with an accumulation of Amyloid- β (A β) peptide plaques in the human brain. A β is a 43 residues long intrinsically disordered peptide and has a strong tendency to form aggregates. Evidence accumulates that A β acts toxic to the neurons in the brain through the formation of small soluble oligomers. A β 25-35 is the smallest fragment of A β which still retains its toxicity and its ability to form extended fibrils. In this talk we will present the results from simulations of aggregation of up to 100 A β 25-35 peptides using a novel polarizable coarse-grained protein model in combination with Dissipative Particle Dynamics.
Goicochea, A Gama
2007-11-06
The adsorption and disjoining pressure isotherms of polymers confined by planar walls are obtained using Monte Carlo (MC) simulations in the Grand Canonical (GC) ensemble in combination with the mesoscopic technique known as dissipative particle dynamics (DPD). Two models of effective potentials for the confining surfaces are used: one with both an attractive and a repulsive term and one with a purely repulsive term. As for the polymer, seven-bead linear model of polyethylene glycol (PEG) dissolved in water is used. The results indicate remarkably good agreement between the trends shown by our adsorption isotherms and those obtained from experiments of PEG on oxide surfaces. Additionally, the disjoining pressure isotherm of water shows oscillations, while those of PEG display the same trend for both wall models. Moreover, it is found that the disjoining pressure isotherms are in qualitative agreement with those from experiments on confined linear polymers.
Multiscale modeling of sickle anemia blood blow by Dissipative Partice Dynamics
NASA Astrophysics Data System (ADS)
Lei, Huan; Caswell, Bruce; Karniadakis, George
2011-11-01
A multi-scale model for sickle red blood cell is developed based on Dissipative Particle Dynamics (DPD). Different cell morphologies (sickle, granular, elongated shapes) typically observed in in vitro and in vivo are constructed and the deviations from the biconcave shape is quantified by the Asphericity and Elliptical shape factors. The rheology of sickle blood is studied in both shear and pipe flow systems. The flow resistance obtained from both systems exhibits a larger value than the healthy blood flow due to the abnormal cell properties. However, the vaso-occulusion phenomenon, reported in a recent microfluid experiment, is not observed in the pipe flow system unless the adhesive interactions between sickle blood cells and endothelium properly introduced into the model.
The impact of dissipation and noise on fluctuations in chiral fluid dynamics
NASA Astrophysics Data System (ADS)
Nahrgang, Marlene; Herold, Christoph; Leupold, Stefan; Mishustin, Igor; Bleicher, Marcus
2013-05-01
We investigate the nonequilibrium evolution of the sigma field coupled to a fluid dynamic expansion of a hot fireball to model the chiral phase transition in heavy-ion collisions. The dissipative processes and fluctuations are allowed under the assumption that the total energy of the coupled system is conserved. We use the linear sigma model with constituent quarks to investigate the effects of the chiral phase transition on the equilibration and excitation of the sigma modes. The quark fluid acts as a heat bath in local thermal equilibrium and the sigma field evolves according to a semiclassical stochastic Langevin equation of motion. The effects of supercooling and reheating of the fluid in a first order phase transition are observed via the delayed relaxation of the sigma field to a new equilibrium state. At the first order phase transition the nonequilibrium fluctuations are strongly enhanced. Communicated by Steffen Bass
NASA Astrophysics Data System (ADS)
Li, Yanggui; Geng, Xingguo; Wang, Heping; Zhuang, Xin; Ouyang, Jie
2016-06-01
The frontal instability of lock-exchange density currents is numerically investigated using dissipative particle dynamics (DPD) at the mesoscopic particle level. For modeling two-phase flow, the “color” repulsion model is adopted to describe binary fluids according to Rothman-Keller method. The present DPD simulation can reproduce the flow phenomena of lock-exchange density currents, including the lobe-and-cleft instability that appears at the head, as well as the formation of coherent billow structures at the interface behind the head due to the growth of Kelvin-Helmholtz instability. Furthermore, through the DPD simulation, some small-scale characteristics can be observed, which are difficult to be captured in macroscopic simulation and experiment.
Particle-layering effect in wall-bounded dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Litvinov, Sergey; Ellero, Marco; Hu, Xiangyu; Adams, Nikolaus A.
2010-12-01
Dissipative particle dynamics (DPD) is a mesoscopic simulation method that describes “clusters” of molecules as a single numerical particle. DPD is a very effective method but it introduces numerical artifacts through the coarse-graining procedure, such as particle ordering in the near-wall region. These artifacts can result in nonphysical phenomena during a simulation of a polymer tethered to the wall undergoing shear flow: polymer sticking and overextension for higher shear rates. In this paper we report that a version of DPD with a so-called solidification boundary formulation and conservative-force interactions based on the equation of state allows to reduce number density fluctuations in near-wall region significantly.
Iyengar, Srinivasan S; Jakowski, Jacek
2005-03-15
A methodology to efficiently conduct simultaneous dynamics of electrons and nuclei is presented. The approach involves quantum wave packet dynamics using an accurate banded, sparse and Toeplitz representation for the discrete free propagator, in conjunction with ab initio molecular dynamics treatment of the electronic and classical nuclear degree of freedom. The latter may be achieved either by using atom-centered density-matrix propagation or by using Born-Oppenheimer dynamics. The two components of the methodology, namely, quantum dynamics and ab initio molecular dynamics, are harnessed together using a time-dependent self-consistent field-like coupling procedure. The quantum wave packet dynamics is made computationally robust by using adaptive grids to achieve optimized sampling. One notable feature of the approach is that important quantum dynamical effects including zero-point effects, tunneling, as well as over-barrier reflections are treated accurately. The electronic degrees of freedom are simultaneously handled at accurate levels of density functional theory, including hybrid or gradient corrected approximations. Benchmark calculations are provided for proton transfer systems and the dynamics results are compared with exact calculations to determine the accuracy of the approach.
Classical and quantum dynamics of the sphere
NASA Astrophysics Data System (ADS)
Lasukov, Vladimir; Moldovanova, Evgeniia; Abdrashitova, Maria; Malik, Hitendra; Gorbacheva, Ekaterina
2016-07-01
In Minkowski space, there has been developed the mathematic quantum model of the real particle located on the sphere evolving owing to the negative pressure inside the sphere. The developed model is analogous to the geometrodynamic model of the Lemaitre-Friedmann primordial atom in superspace-time, whose spatial coordinate is the scale factor functioning as a radial coordinate. There is a formulation of quantum geometrodynamics in which the spatial coordinate is an offset of the scale factor and wave function at the same time. With the help of the Dirac procedure for extracting the root from the Hamiltonian operator we have constructed a Dirac quantum dynamics of the sphere with fractional spin.
Dynamical Response near Quantum Critical Points
NASA Astrophysics Data System (ADS)
Lucas, Andrew; Gazit, Snir; Podolsky, Daniel; Witczak-Krempa, William
2017-02-01
We study high-frequency response functions, notably the optical conductivity, in the vicinity of quantum critical points (QCPs) by allowing for both detuning from the critical coupling and finite temperature. We consider general dimensions and dynamical exponents. This leads to a unified understanding of sum rules. In systems with emergent Lorentz invariance, powerful methods from quantum field theory allow us to fix the high-frequency response in terms of universal coefficients. We test our predictions analytically in the large-N O (N ) model and using the gauge-gravity duality and numerically via quantum Monte Carlo simulations on a lattice model hosting the interacting superfluid-insulator QCP. In superfluid phases, interacting Goldstone bosons qualitatively change the high-frequency optical conductivity and the corresponding sum rule.
Mode-Coupling-Induced Dissipative and Thermal Effects at Long Times after a Quantum Quench
Mitra, Aditi; Giamarchi, Thierry
2011-10-07
An interaction quench in a Luttinger liquid can drive it into an athermal steady state. We analyze the effects on such an out of equilibrium state of a mode coupling term due to a periodic potential. Employing a perturbative renormalization group approach we show that even when the periodic potential is an irrelevant perturbation in equilibrium, it has important consequences on the athermal steady state as it generates a temperature as well as a dissipation and hence a finite lifetime for the bosonic modes.
Mode-coupling-induced dissipative and thermal effects at long times after a quantum quench.
Mitra, Aditi; Giamarchi, Thierry
2011-10-07
An interaction quench in a Luttinger liquid can drive it into an athermal steady state. We analyze the effects on such an out of equilibrium state of a mode coupling term due to a periodic potential. Employing a perturbative renormalization group approach we show that even when the periodic potential is an irrelevant perturbation in equilibrium, it has important consequences on the athermal steady state as it generates a temperature as well as a dissipation and hence a finite lifetime for the bosonic modes.
NASA Technical Reports Server (NTRS)
Hickey, M. P.
1988-01-01
This paper examines the effect of inclusion of Coriolis force and eddy dissipation in the gravity wave dynamics theory of Walterscheid et al. (1987). It was found that the values of the ratio 'eta' (where eta is a complex quantity describing the ralationship between the intensity oscillation about the time-averaged intensity, and the temperature oscillation about the time-averaged temperature) strongly depend on the wave period and the horizontal wavelength; thus, if comparisons are to be made between observations and theory, horizontal wavelengths will need to be measured in conjunction with the OH nightglow measurements. For the waves with horizontal wavelengths up to 1000 km, the eddy dissipation was found to dominate over the Coriolis force in the gravity wave dynamics and also in the associated values of eta. However, for waves with horizontal wavelengths of 10,000 km or more, the Coriolis force cannot be neglected; it has to be taken into account along with the eddy dissipation.
Dynamics of quantum wave packets
Gosnell, T.R.; Taylor, A.J.; Rodriguez, G.; Clement, T.S.
1998-11-01
This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of this project was to develop ultrafast laser techniques for the creation and measurement of quantum vibrational wave packets in gas phase diatomic molecules. Moreover, the authors sought to manipulate the constitution of these wave packets in terms of harmonic-oscillator basis wavefunctions by manipulating the time-dependent amplitude and phase of the incident ultrashort laser pulse. They specifically investigated gaseous diatomic potassium (K{sub 2}), and discovered variations in the shape of the wave packets as a result of changing the linear chirp in the ultrashort preparation pulse. In particular, they found evidence for wave-packet compression for a specific degree of chirp. Important ancillary results include development of new techniques for denoising and deconvolution of femtosecond time traces and techniques for diagnosing the phase and amplitude of the electric field of femtosecond laser pulses.
Quantum dynamics in ultracold atomic physics
NASA Astrophysics Data System (ADS)
He, Qiong-Yi; Reid, Margaret D.; Opanchuk, Bogdan; Polkinghorne, Rodney; Rosales-Zárate, Laura E. C.; Drummond, Peter D.
2012-02-01
We review recent developments in the theory of quantum dynamics in ultracold atomic physics, including exact techniques and methods based on phase-space mappings that are applicable when the complexity becomes exponentially large. Phase-space representations include the truncated Wigner, positive- P and general Gaussian operator representations which can treat both bosons and fermions. These phase-space methods include both traditional approaches using a phase-space of classical dimension, and more recent methods that use a non-classical phase-space of increased dimensionality. Examples used include quantum Einstein-Podolsky-Rosen (EPR) entanglement of a four-mode BEC, time-reversal tests of dephasing in single-mode traps, BEC quantum collisions with up to 106 modes and 105 interacting particles, quantum interferometry in a multi-mode trap with nonlinear absorption, and the theory of quantum entropy in phase-space. We also treat the approach of variational optimization of the sampling error, giving an elementary example of a nonlinear oscillator.
NASA Astrophysics Data System (ADS)
Nesterov, L. A.; Veretenov, N. A.; Rosanov, N. N.
2015-05-01
Quantum fluctuations of one-dimensional dark dissipative solitons sustained by an external radiation in an interferometer with a Kerr nonlinearity are analyzed theoretically. The stability region of classical solitons in this interferometer is studied. The boundaries of this region are determined, and types of excited solitons are classified. Quantum fluctuations of solitons are analyzed in an approximation linear in fluctuations. This problem was solved by linearizing the quantum Langevin equation in a neighborhood of a classical solution for the main type of a soliton from the obtained stability region. The main attention has been paid to studying quantum fluctuations of collective variables of dissipative solitons, namely, the coordinate of the center and momentum of the soliton. Based on the expansion of solutions of the linearized equation in eigenfunctions of the discrete spectrum of this equation, a solution describing quantum fluctuations of these variables is constructed. Using this expansion scheme made it possible to give a rigorous definition of the dissipative soliton position fluctuation operator. The study performed based on this scheme has made it also possible to construct a solution for a one-dimensional dark relaxing dissipative soliton. This soliton generalizes the stationary soliton with allowance for the shift of its center and deformation of its profile followed by the recovery of its initial shape. Average squares of quantum fluctuations of collective variables are calculated. A domain of parameters in which there exist quantum states of solitons with an initially high degree of squeezing with respect to the momentum is found. It is shown that such states are in correspondence with significantly higher velocities of soliton center drift. An experiment that could detect the relative squeezing with respect to the momentum due to the soliton center drift is discussed.
Transport dissipative particle dynamics model for mesoscopic advection- diffusion-reaction problems
Zhen, Li; Yazdani, Alireza; Tartakovsky, Alexandre M.; Karniadakis, George E.
2015-07-07
We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic DPD framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between particles, and an analytical formula is proposed to relate the mesoscopic concentration friction to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers.
Dissipative particle dynamics with attractive and repulsive particle-particle interactions
Paul Meakin; Moubin Liu; Hai Huang
2006-01-01
In molecular dynamics simulations, a combination of short-range repulsive and long-range attractive interactions allows the behavior of gases, liquids, solids, and multiphase systems to be simulated. We demonstrate that dissipative particle dynamics (DPD) simulations with similar pairwise particle-particle interactions can also be used to simulate the dynamics of multiphase fluids. In these simulations, the positive, short-range, repulsive part of the interaction potentials were represented by polynomial spline functions such as those used as smoothing functions in smoothed particle hydrodynamics, and the negative long-range part of the interaction has the same form but a different range and amplitude. If a single spline function corresponding to a purely repulsive interaction is used, the DPD fluid is a gas, and we show that the Poiseuille flow of this gas can be described accurately by the Navier-Stokes equation at low Reynolds numbers. In a two-component system in which the purely repulsive interactions between different components are substantially larger than the purely repulsive intracomponent interactions, separation into two gas phases occurs, in agreement with results obtained using DPD simulations with standard repulsive particle-particle interactions. Finally, we show that a combination of short-range repulsive interactions and long-range attractive interactions can be used to simulate the behavior of liquid drops surrounded by a gas. Similar models can be used to simulate a wide range of processes such as multiphase fluid flow through fractures and porous media with complex geometries and wetting behaviors.
Signatures of topological quantum phase transitions in driven and dissipative qubit arrays
NASA Astrophysics Data System (ADS)
Dong, Y. L.; Neupert, Titus; Chitra, R.; Schmidt, Sebastian
2016-07-01
We study photonic signatures of symmetry broken and topological phases in a driven, dissipative circuit QED realization of spin-1/2 chains. Specifically, we consider the transverse-field XY model and a dual model with three-spin interactions. The former has a ferromagnetic and a paramagnetic phase, while the latter features, in addition, a symmetry protected topological phase. Using the method of third quantization, we calculate the nonequilibrium steady state of the open spin chains for arbitrary system sizes and temperatures. We find that the bilocal correlation function of the spins at both ends of the chain provides a sensitive measure for both symmetry-breaking and topological phase transitions of the systems, but no universal means to distinguish between the two types of transitions. Both models have equivalent representations in terms of free Majorana fermions, which host zero, one and two topological Majorana end modes in the paramagnetic, ferromagnetic, and symmetry protected topological phases, respectively. The correlation function we study retains its bilocal character in the fermionic representation, so that our results are equally applicable to the fermionic models in their own right. We propose a photonic realization of the dissipative transverse-field XY model in a tunable setup, where an array of superconducting transmon qubits is coupled at both ends to a photonic microwave circuit.
Truncated correlation hierarchy schemes for driven-dissipative multimode quantum systems
NASA Astrophysics Data System (ADS)
Casteels, W.; Finazzi, S.; Le Boité, A.; Storme, F.; Ciuti, C.
2016-09-01
We present a method to describe driven-dissipative multi-mode systems by considering a truncated hierarchy of equations for the correlation functions. We consider two hierarchy truncation schemes with a global cutoff on the correlation order, which is the sum of the exponents of the operators involved in the correlation functions: a ‘hard’ cutoff corresponding to an expansion around the vacuum, which applies to a regime where the number of excitations per site is small; a ‘soft’ cutoff which corresponds to an expansion around coherent states, which can be applied for large excitation numbers per site. This approach is applied to describe the bunching-antibunching crossover in the driven-dissipative Bose-Hubbard model for photonic systems. The results have been successfully benchmarked by comparison with calculations based on the corner-space renormalization method in 1D and 2D systems. The regime of validity and strengths of the present truncation methods are critically discussed.
Dynamic Dimensionality Identification for Quantum Control
NASA Astrophysics Data System (ADS)
Roslund, Jonathan; Rabitz, Herschel
2014-04-01
The control of quantum systems with shaped laser pulses presents a paradox since the relative ease with which solutions are discovered appears incompatible with the enormous variety of pulse shapes accessible with a standard pulse shaper. Quantum landscape theory indicates that the relevant search dimensionality is not dictated by the number of pulse shaper elements, but rather is related to the number of states participating in the controlled dynamics. The actual dimensionality is encoded within the sensitivity of the observed yield to all of the pulse shaper elements. To investigate this proposition, the Hessian matrix is measured for controlled transitions amongst states of atomic rubidium, and its eigendecomposition reveals a dimensionality consistent with that predicted by landscape theory. Additionally, this methodology furnishes a low-dimensional picture that captures the essence of the light-matter interaction and the ensuing system dynamics.
Quantum phase transitions with dynamical flavors
NASA Astrophysics Data System (ADS)
Bea, Yago; Jokela, Niko; Ramallo, Alfonso V.
2016-07-01
We study the properties of a D6-brane probe in the Aharony-Bergman-Jafferis-Maldacena (ABJM) background with smeared massless dynamical quarks in the Veneziano limit. Working at zero temperature and nonvanishing charge density, we show that the system undergoes a quantum phase transition in which the topology of the brane embedding changes from a black hole to a Minkowski embedding. In the unflavored background the phase transition is of second order and takes place when the charge density vanishes. We determine the corresponding critical exponents and show that the scaling behavior near the quantum critical point has multiplicative logarithmic corrections. In the background with dynamical quarks the phase transition is of first order and occurs at nonzero charge density. In this case we compute the discontinuity of several physical quantities as functions of the number Nf of unquenched quarks of the background.
Dynamical systems and quantum bicrossproduct algebras
NASA Astrophysics Data System (ADS)
Arratia, Oscar; del Olmo, Mariano A.
2002-06-01
We present a unified study of some aspects of quantum bicrossproduct algebras of inhomogeneous Lie algebras, such as Poincaré, Galilei and Euclidean in N dimensions. The action associated with the bicrossproduct structure allows us to obtain a nonlinear action over a new group linked to the translations. This new nonlinear action associates a dynamical system with each generator which is the object of our study.
Computer Visualization of Many-Particle Quantum Dynamics
Ozhigov, A. Y.
2009-03-10
In this paper I show the importance of computer visualization in researching of many-particle quantum dynamics. Such a visualization becomes an indispensable illustrative tool for understanding the behavior of dynamic swarm-based quantum systems. It is also an important component of the corresponding simulation framework, and can simplify the studies of underlying algorithms for multi-particle quantum systems.
Wigner flow reveals topological order in quantum phase space dynamics.
Steuernagel, Ole; Kakofengitis, Dimitris; Ritter, Georg
2013-01-18
The behavior of classical mechanical systems is characterized by their phase portraits, the collections of their trajectories. Heisenberg's uncertainty principle precludes the existence of sharply defined trajectories, which is why traditionally only the time evolution of wave functions is studied in quantum dynamics. These studies are quite insensitive to the underlying structure of quantum phase space dynamics. We identify the flow that is the quantum analog of classical particle flow along phase portrait lines. It reveals hidden features of quantum dynamics and extra complexity. Being constrained by conserved flow winding numbers, it also reveals fundamental topological order in quantum dynamics that has so far gone unnoticed.
Mori-Zwanzig theory for dissipative forces in coarse-grained dynamics in the Markov limit
NASA Astrophysics Data System (ADS)
Izvekov, Sergei
2017-01-01
We derive alternative Markov approximations for the projected (stochastic) force and memory function in the coarse-grained (CG) generalized Langevin equation, which describes the time evolution of the center-of-mass coordinates of clusters of particles in the microscopic ensemble. This is done with the aid of the Mori-Zwanzig projection operator method based on the recently introduced projection operator [S. Izvekov, J. Chem. Phys. 138, 134106 (2013), 10.1063/1.4795091]. The derivation exploits the "generalized additive fluctuating force" representation to which the projected force reduces in the adopted projection operator formalism. For the projected force, we present a first-order time expansion which correctly extends the static fluctuating force ansatz with the terms necessary to maintain the required orthogonality of the projected dynamics in the Markov limit to the space of CG phase variables. The approximant of the memory function correctly accounts for the momentum dependence in the lowest (second) order and indicates that such a dependence may be important in the CG dynamics approaching the Markov limit. In the case of CG dynamics with a weak dependence of the memory effects on the particle momenta, the expression for the memory function presented in this work is applicable to non-Markov systems. The approximations are formulated in a propagator-free form allowing their efficient evaluation from the microscopic data sampled by standard molecular dynamics simulations. A numerical application is presented for a molecular liquid (nitromethane). With our formalism we do not observe the "plateau-value problem" if the friction tensors for dissipative particle dynamics (DPD) are computed using the Green-Kubo relation. Our formalism provides a consistent bottom-up route for hierarchical parametrization of DPD models from atomistic simulations.
Electron Dynamics in Finite Quantum Systems
NASA Astrophysics Data System (ADS)
McDonald, Christopher R.
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) and multiconfiguration time-dependent Hartree (MCTDH) methods are employed to investigate nonperturbative multielectron dynamics in finite quantum systems. MCTDHF is a powerful tool that allows for the investigation of multielectron dynamics in strongly perturbed quantum systems. We have developed an MCTDHF code that is capable of treating problems involving three dimensional (3D) atoms and molecules exposed to strong laser fields. This code will allow for the theoretical treatment of multielectron phenomena in attosecond science that were previously inaccessible. These problems include complex ionization processes in pump-probe experiments on noble gas atoms, the nonlinear effects that have been observed in Ne atoms in the presence of an x-ray free-electron laser (XFEL) and the molecular rearrangement of cations after ionization. An implementation of MCTDH that is optimized for two electrons, each moving in two dimensions (2D), is also presented. This implementation of MCTDH allows for the efficient treatment of 2D spin-free systems involving two electrons; however, it does not scale well to 3D or to systems containing more that two electrons. Both MCTDHF and MCTDH were used to treat 2D problems in nanophysics and attosecond science. MCTDHF is used to investigate plasmon dynamics and the quantum breathing mode for several electrons in finite lateral quantum dots. MCTDHF is also used to study the effects of manipulating the potential of a double lateral quantum dot containing two electrons; applications to quantum computing are discussed. MCTDH is used to examine a diatomic model molecular system exposed to a strong laser field; nonsequential double ionization and high harmonic generation are studied and new processes identified and explained. An implementation of MCTDHF is developed for nonuniform tensor product grids; this will allow for the full 3D implementation of MCTDHF and will provide a means to
Kheirandish, F.; Amooshahi, M.
2008-11-18
Quantum field theory of a damped vibrating string as the simplest dissipative scalar field theory is investigated by introducing a minimal coupling method. The rate of energy flowing between the system and its environment is obtained.
Quantum pattern formation dynamics of photoinduced nucleation
NASA Astrophysics Data System (ADS)
Ishida, Kunio; Nasu, Keiichiro
2008-06-01
We study the dynamics of quantum pattern formation processes in molecular crystals which is concomitant with photoinduced nucleation. Since the nucleation process in coherent regime is driven by the nonadiabatic transition in each molecule followed by the propagation of phonons, it is necessary to take into account the quantum nature of both electrons and phonons in order to pursue the dynamics of the system. Therefore, we employ a model of localized electrons coupled with a quantized phonon mode and solve the time-dependent Schrödinger equation numerically. We found that there is a minimal size of clusters of excited molecules which triggers the photoinduced nucleation process; i.e., nucleation does not take place unless sufficient photoexcitation energy is concentrated within a narrow area of the system. We show that this result means that the spatial distribution of photoexcited molecules plays an important role in the nonlinearity of the dynamics and also in the optical properties observed in experiments. We calculate the conversion ratio, the rate of cluster formation, and correlation functions to reveal the dynamical properties of the pattern formation process; the initial dynamics of the photoinduced structural change is discussed from the viewpoint of pattern formation.
Dynamics of quantum turbulence of different spectra
Walmsley, Paul; Zmeev, Dmitry; Pakpour, Fatemeh; Golov, Andrei
2014-01-01
Turbulence in a superfluid in the zero-temperature limit consists of a dynamic tangle of quantized vortex filaments. Different types of turbulence are possible depending on the level of correlations in the orientation of vortex lines. We provide an overview of turbulence in superfluid 4He with a particular focus on recent experiments probing the decay of turbulence in the zero-temperature regime below 0.5 K. We describe extensive measurements of the vortex line density during the free decay of different types of turbulence: ultraquantum and quasiclassical turbulence in both stationary and rotating containers. The observed decays and the effective dissipation as a function of temperature are compared with theoretical models and numerical simulations. PMID:24704876
Quantum effects in unimolecular reaction dynamics
Gezelter, Joshua Daniel
1995-12-01
This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form ^{3}B_{1} CH_{2} + ^{1}σ^{+} CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH_{3}COCl → CH_{3}CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.
NASA Astrophysics Data System (ADS)
Gavrilov, A. A.; Chertovich, A. V.; Kramarenko, E. Yu.
2016-11-01
In this work, we study the question of how to introduce electrostatic interactions in dissipative particle dynamics (DPD) method in order to correctly reproduce the properties of systems with high density of charges, including those with inhomogeneous charge distribution. To this end, we formulate general requirements for the electrostatic force in DPD and propose a new functional form of the force which suits better for satisfying these requirements than the previously used ones. In order to verify the proposed model, we study the problem of a single polyelectrolyte chain collapse and compare the results with molecular dynamics (MD) simulations in which the exact Coulomb force is used. We show that an excellent quantitative agreement between MD and DPD models is observed if the length parameter D of the proposed electrostatic force is chosen properly; the recommendations concerning the choice of this parameter value are given based on the analysis of a polyelectrolyte chain collapse behavior. Finally, we demonstrate the applicability of DPD with the proposed electrostatic force to studying microphase separation phenomenon in polyelectrolyte melts and show that the same values of D as in the case of single chain collapse should be used, thus indicating universality of the model. Due to the charge correlation attraction, a long-range order in such melts can be observed even at zero Flory-Huggins parameter.
Simulating the Rayleigh-Taylor instability in polymer fluids with dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Li, Yanggui; Geng, Xingguo; Zhuang, Xin; Wang, Lihua; Ouyang, Jie
2016-04-01
The Rayleigh-Taylor (RT) instability that occurs in the flow of polymer fluids is numerically investigated with dissipative particle dynamics (DPD) method at the mesoscale particle level. For modeling two-phase flow, the Flory-Huggins parameter is introduced to model binary fluids. And the polymer chains in fluids are described by the modified FENE model that depicts both the elastic tension and the elastic repulsion between the adjacent beads with bond length as the equilibrium length of one segment. Besides, a bead repulsive potential is employed to capture entanglements between polymer chains. Through our model and numerical simulation, we research the dynamics behaviors of the RT instability in polymer fluid medium. Furthermore, we also explore the effects of polymer volume concentration, chain length, and extensibility on the evolution of RT instability. These simulation results show that increasing any of the parameters, concentration, chain length, and extensibility, the saturation length of spikes becomes longer, and the two polymer fluids have less mixture. On the contrary, for the case of low concentration, or short chain, or small extensibility, the spikes easily split and break up, and the RT instability pattern evolves into chaotic structure. These observations indicate that the polymer and its properties drastically modify the RT instability pattern.
Dissipative particle dynamics simulation for the density currents of polymer fluids
NASA Astrophysics Data System (ADS)
Li, Yanggui; Geng, Xingguo; Liu, Zhijun; Liu, Qingsheng; Ouyang, Jie
2016-11-01
In this work, the two-dimensional lock-exchange density currents of polymer fluids are numerically investigated using dissipative particle dynamics (DPD) at the mesoscale particle level. A modified finitely extensible nonlinear elastic (FENE) chain model is chosen to describe the polymer system, which perfectly depicts not only the elastic tension but also the elastic repulsion between the adjacent beads with bond length as the equilibrium length of one segment. Through the model and numerical simulation, we analyze the dynamics behavior of the density currents of polymer fluids. A comparison with its Newtonian counterpart suggests that the interface between two polymer fluids is more smoothed, and the front structure is different from the Newtonian case because the Kelvin-Helmholtz instability and cleft instability are suppressed by the polymer. Besides, we also probe the influences of polymer volume concentration, chain length and extensibility on the density currents. These simulation results show that increasing any of the parameters, concentration, chain length, and extensibility, the inhibiting effect of polymer on the density currents becomes more significant.
NASA Astrophysics Data System (ADS)
Peng, Zhangli; Li, Xuejin; Pivkin, Igor; Dao, Ming; Karniadakis, George
2013-11-01
We develop a two-component dissipative particle dynamics (DPD) model of the red blood cell (RBC) membrane by modeling the lipid bilayer and the cytoskeleton separately. By applying this model to simulate four different experiments on RBCs, including micropipette aspiration, membrane fluctuations, tank-treading motions in shear flow and bilayer tethering in a flow channel, we validated our model and studied the mechanical properties of the bilayer-cytoskeletal interaction in a systematic and controlled manner, such as its elastic stiffness, viscous friction and strength. In the same time, we also resolved several controversies in RBC mechanics, e.g., the dependence of tank-treading frequency on shear rates and the possibility of bilayer-cytoskeletal slip. Furthermore, to investigate RBC dynamics in the microcirculation, we simulated the passages of RBCs through narrow channels of the flow cytometer in vitro and their passages through the splenic inter-endothelial slits in vivo. The effects of RBC geometry and membrane stiffness on the critical pressure gradient of passage were studied, and the simulation results agree well with experimental measurements. This work was supported by National Institutes of Health Grant R01HL094270 and the new Department of Energy Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4).
A study of water droplet between an AFM tip and a substrate using dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Pal, Souvik; Lan, Chuanjin; Li, Zhen; Hirleman, E. Daniel; Ma, Yanbao
2014-11-01
Formation of a water droplet between a sharp AFM tip and a substrate due to capillary condensation affects the tip-substrate interaction. As a consequence, AFM measurements lose precision and often produce incorrect sample topology. Understanding the physics of liquid bridges is also important in the field of Dip-pen nanolithography (DPN). Significant research is being carried out to understand the mechanics of the formation of the liquid bridge and its dependence of surface properties, ambient conditions etc. The in-between length scale, i.e., mesoscale (~100 nm) associated with this phenomenon presents a steep challenge for experimental measurements. In addition, molecular dynamics (MD) can be computationally prohibitive to model the entire system, especially over microseconds to seconds. Theoretical analysis using Young Laplace equation has so far provided some qualitative insights only. We study this system using Dissipative Particle Dynamics (DPD) which is a simulation technique suitable for describing mesoscopic hydrodynamic behavior of fluids. In this work, we carry out simulations to improve understanding of the process of formation of the meniscus, the mechanics of manipulation and control of its shape, and better estimation of capillary forces. The knowledge gained through our study will help in correcting the AFM measurements affected by capillary condensation. Moreover, it will improve understanding of more accurate droplet manipulation in DPN.
NASA Astrophysics Data System (ADS)
Guo, H.; Karpov, M.; Lucas, E.; Kordts, A.; Pfeiffer, M. H. P.; Brasch, V.; Lihachev, G.; Lobanov, V. E.; Gorodetsky, M. L.; Kippenberg, T. J.
2017-01-01
Temporal dissipative Kerr solitons in optical microresonators enable the generation of ultrashort pulses and low-noise frequency combs at microwave repetition rates. They have been demonstrated in a growing number of microresonator platforms, enabling chip-scale frequency combs, optical synthesis of low-noise microwaves and multichannel coherent communications. In all these applications, accessing and maintaining a single-soliton state is a key requirement--one that remains an outstanding challenge. Here, we study the dynamics of multiple-soliton states and report the discovery of a simple mechanism that deterministically switches the soliton state by reducing the number of solitons one by one. We demonstrate this control in Si3N4 and MgF2 resonators and, moreover, we observe a secondary peak to emerge in the response of the system to a pump modulation, an effect uniquely associated with the soliton regime. Exploiting this feature, we map the multi-stability diagram of a microresonator experimentally. Our measurements show the physical mechanism of the soliton switching and provide insight into soliton dynamics in microresonators. The technique provides a method to sequentially reduce, monitor and stabilize an arbitrary state with solitons, in particular allowing for feedback stabilization of single-soliton states, which is necessary for practical applications.
Zhao, Tongyang; Wang, Xiaogong; Jiang, Lei; Larson, Ronald G.
2014-07-01
We examine the accuracy of dissipative particle dynamics (DPD) simulations of polymers in dilute solutions with hydrodynamic interaction (HI), at the theta point, modeled by setting the DPD conservative interaction between beads to zero. We compare the first normal-mode relaxation time extracted from the DPD simulations with theoretical predictions from a normal-mode analysis for theta chains. We characterize the influence of bead inertia within the coil by a ratio L{sub m}/R{sub g}, where L{sub m} is the ballistic distance over which bead inertia is lost, and R{sub g} is the radius of gyration of the polymer coil, while the HI strength per bead h* is determined by the ratio of bead hydrodynamic radius (r{sub H}) to the equilibrium spring length. We show how to adjust h* through the spring length and monomer mass, and how to optimize the accuracy of DPD for fixed h* by increasing the friction coefficient (γ ≥ 9) and by incorporating a nonlinear distance dependence into the frictional interaction. Even with this optimization, DPD simulations exhibit deviations of over 20% from the theoretical normal-mode predictions for high HI strength with h* ≥ 0.20, for chains with as many as 100 beads, which is a larger deviation than is found for Stochastic rotation dynamics simulations for similar chains lengths and values of h*.
A many-body dissipative particle dynamics study of spontaneous capillary imbibition and drainage.
Chen, Chen; Gao, Chunning; Zhuang, Lin; Li, Xuefeng; Wu, Pingcang; Dong, Jinfeng; Lu, Juntao
2010-06-15
The spontaneous capillary imbibition and drainage processes are studied using many-body dissipative particle dynamics (MDPD) simulations. By adjusting the solid-liquid interaction parameter, different wetting behavior between the fluid and the capillary wall, corresponding to the static contact angle ranging from 0 degrees to 180 degrees, can be controllably simulated. For wetting fluids, the spontaneous capillary imbibition (SCI) is evident in MDPD simulations. It is found that, whereas the corrected Lucas-Washburn equation (taking into account the dynamic contact angle and the fluid inertia) can well describe the SCI simulation result for the completely wetting fluid, it deviates, to a notable degree, from the results of partly wetting fluids. In particular, this corrected equation cannot be used to describe the spontaneous capillary drainage (SCD) processes. To solve this problem, we derive an improved form of the Lucas-Washburn equation, in which the slip effects of fluid particles at the capillary wall are treated. Such an improved equation turns out to be capable of describing all the simulation results of both the SCI and the SCD. These findings provide new insights into the SCI and SCD processes and improve the mathematical base.
Applications of Quantum Probability Theory to Dynamic Decision Making
2015-08-13
quantum learning algorithm for the dynamic environments; and most importantly, (c) To experimentally test whether the quantum reinforcement learning...seeking tasks, which are relevant to Air Force applications. In particular, we developed a new quantum reinforcement learning algorithm for MDP’s. The... quantum reinforcement-learning algorithm does not require a quantum computer, and can be directly used to learn to perform practical sequential
Dissipative long-range entanglement generation between electronic spins
NASA Astrophysics Data System (ADS)
Benito, M.; Schuetz, M. J. A.; Cirac, J. I.; Platero, G.; Giedke, G.
2016-09-01
We propose a scheme for deterministic generation and long-term stabilization of entanglement between two electronic spin qubits confined in spatially separated quantum dots. Our approach relies on an electronic quantum bus, consisting either of quantum Hall edge channels or surface acoustic waves, that can mediate long-range coupling between localized spins over distances of tens of micrometers. Since the entanglement is actively stabilized by dissipative dynamics, our scheme is inherently robust against noise and imperfections.
Anisotropic Landau-Lifshitz-Gilbert models of dissipation in qubits
NASA Astrophysics Data System (ADS)
Crowley, Philip J. D.; Green, A. G.
2016-12-01
We derive a microscopic model for dissipative dynamics in a system of mutually interacting qubits coupled to a thermal bath that generalizes the dissipative model of Landau-Lifshitz-Gilbert to the case of anisotropic bath couplings. We show that the dissipation acts to bias the quantum trajectories towards a reduced phase space. This model applies to a system of superconducting flux qubits whose coupling to the environment is necessarily anisotropic. We study the model in the context of the D-Wave computing device and show that the form of environmental coupling in this case produces dynamics that are closely related to several models proposed on phenomenological grounds.
Conditional and unconditional Gaussian quantum dynamics
NASA Astrophysics Data System (ADS)
Genoni, Marco G.; Lami, Ludovico; Serafini, Alessio
2016-07-01
This article focuses on the general theory of open quantum systems in the Gaussian regime and explores a number of diverse ramifications and consequences of the theory. We shall first introduce the Gaussian framework in its full generality, including a classification of Gaussian (also known as 'general-dyne') quantum measurements. In doing so, we will give a compact proof for the parametrisation of the most general Gaussian completely positive map, which we believe to be missing in the existing literature. We will then move on to consider the linear coupling with a white noise bath, and derive the diffusion equations that describe the evolution of Gaussian states under such circumstances. Starting from these equations, we outline a constructive method to derive general master equations that apply outside the Gaussian regime. Next, we include the general-dyne monitoring of the environmental degrees of freedom and recover the Riccati equation for the conditional evolution of Gaussian states. Our derivation relies exclusively on the standard quantum mechanical update of the system state, through the evaluation of Gaussian overlaps. The parametrisation of the conditional dynamics we obtain is novel and, at variance with existing alternatives, directly ties in to physical detection schemes. We conclude our study with two examples of conditional dynamics that can be dealt with conveniently through our formalism, demonstrating how monitoring can suppress the noise in optical parametric processes as well as stabilise systems subject to diffusive scattering.
NASA Astrophysics Data System (ADS)
Viola, Lorenza; Tannor, David
2011-08-01
tomography, which is a necessary 'primitive' for inferring the target quantum state and thereby diagnosing the control performance. Next, the impact of realistic control and system imperfections in continuous-time Markovian feedback strategies for rapid state preparation is analyzed by Combes and Wiseman. A prominent role is played in the special issue by optimal control (OC) approaches, reflecting their central importance for quantum control and QIP. The OC contributions have been divided into two separate sections, depending on whether the target dynamics is modeled as Hamiltonian (section 3) or dissipative (section 4), respectively. The contribution by Beltrani et al deals with `control landscapes', which provide a foundation for analyzing the performance of numerical OC algorithms and their robustness against control errors. Specifically, this paper characterizes geometric properties of the control landscape, relevant to the optimal control of state-to-state transitions. Application of OC theory to the problem of population transfer and coherence enhancement in Λ-systems is studied by Kumar et al, whereas Goerz et al report on the OC-design of a high-fidelity controlled phase-gate in atomic qubits. The robustness of an OC solution is specifically addressed by Negretti et al, along with an approach for identifying easily implementable while still 'close-to-optimal' control pulses. Powerful relaxation-optimized OC schemes (based on so-called opengrape algorithms) for generating unitary target gates in the presence of known dissipation parameters are discussed by Schulte-Herbrüggen et al. Next, Lapert et al report on the problem of time-optimal control of spin-1/2 systems undergoing Bloch relaxation dynamics, highlighting the crucial role played by singular extremals in the control synthesis. Alternative approaches for optimized control of qubits exposed to various decoherence processes are developed by Esher et al and Xue et al, based on a perturbative 'bath
Excited State Quantum-Classical Molecular Dynamics
NASA Astrophysics Data System (ADS)
Krstic, Predrag
2005-05-01
The development of a new theoretical, algorithmic, and computational framework is reported describing the corresponding excited state many-body dynamics by applying multiphysics described by classical equations of motion for nuclei and Hartree-Fock/Multi-Configuration Hartree-Fock and multiresolution techniques for solving the quantum part of the problem (i.e. the motion of the electrons). We primarily have in mind reactive and electron-transition dynamics which involves molecular clusters, containing hundreds of atoms, perturbed by a slow ionic/atomic/molecular projectile, with possible applications in plasma-surface interactions, cluster physics, chemistry and biotechnology. The validation of the developed technique is performed at three-body systems. Application to the transition dynamics in small carbon clusters and hydrocarbons perturbed by slow carbon ions resolves some long-standing issues in the ion-surface interactions in fusion tokamaks.
Quantum corrections to inflaton and curvaton dynamics
Markkanen, Tommi; Tranberg, Anders E-mail: anders.tranberg@nbi.dk
2012-11-01
We compute the fully renormalized one-loop effective action for two interacting and self-interacting scalar fields in FRW space-time. We then derive and solve the quantum corrected equations of motion both for fields that dominate the energy density (such as an inflaton) and fields that do not (such as a subdominant curvaton). In particular, we introduce quantum corrected Friedmann equations that determine the evolution of the scale factor. We find that in general, gravitational corrections are negligible for the field dynamics. For the curvaton-type fields this leaves only the effect of the flat-space Coleman-Weinberg-type effective potential, and we find that these can be significant. For the inflaton case, both the corrections to the potential and the Friedmann equations can lead to behaviour very different from the classical evolution. Even to the point that inflation, although present at tree level, can be absent at one-loop order.
Fedosov, Dmitry A; Karniadakis, George Em; Caswell, Bruce
2010-04-14
Polymer fluids are modeled with dissipative particle dynamics (DPD) as undiluted bead-spring chains and their solutions. The models are assessed by investigating their steady shear-rate properties. Non-Newtonian viscosity and normal stress coefficients, for shear rates from the lower to the upper Newtonian regimes, are calculated from both plane Couette and plane Poiseuille flows. The latter is realized as reverse Poiseuille flow (RPF) generated from two Poiseuille flows driven by uniform body forces in opposite directions along two-halves of a computational domain. Periodic boundary conditions ensure the RPF wall velocity to be zero without density fluctuations. In overlapping shear-rate regimes the RPF properties are confirmed to be in good agreement with those calculated from plane Couette flow with Lees-Edwards periodic boundary conditions (LECs), the standard virtual rheometer for steady shear-rate properties. The concentration and the temperature dependence of the properties of the model fluids are shown to satisfy the principles of concentration and temperature superposition commonly employed in the empirical correlation of real polymer-fluid properties. The thermodynamic validity of the equation of state is found to be a crucial factor for the achievement of time-temperature superposition. With these models, RPF is demonstrated to be an accurate and convenient virtual rheometer for the acquisition of steady shear-rate rheological properties. It complements, confirms, and extends the results obtained with the standard LEC configuration, and it can be used with the output from other particle-based methods, including molecular dynamics, Brownian dynamics, smooth particle hydrodynamics, and the lattice Boltzmann method.
Combinatorial optimization using dynamical phase transitions in driven-dissipative systems
NASA Astrophysics Data System (ADS)
Leleu, Timothée; Yamamoto, Yoshihisa; Utsunomiya, Shoko; Aihara, Kazuyuki
2017-02-01
The dynamics of driven-dissipative systems is shown to be well-fitted for achieving efficient combinatorial optimization. The proposed method can be applied to solve any combinatorial optimization problem that is equivalent to minimizing an Ising Hamiltonian. Moreover, the dynamics considered can be implemented using various physical systems as it is based on generic dynamics—the normal form of the supercritical pitchfork bifurcation. The computational principle of the proposed method relies on an hybrid analog-digital representation of the binary Ising spins by considering the gradient descent of a Lyapunov function that is the sum of an analog Ising Hamiltonian and archetypal single or double-well potentials. By gradually changing the shape of the latter potentials from a single to double well shape, it can be shown that the first nonzero steady states to become stable are associated with global minima of the Ising Hamiltonian, under the approximation that all analog spins have the same amplitude. In the more general case, the heterogeneity in amplitude between analog spins induces the stabilization of local minima, which reduces the quality of solutions to combinatorial optimization problems. However, we show that the heterogeneity in amplitude can be reduced by setting the parameters of the driving signal near a regime, called the dynamic phase transition, where the analog spins' DC components map more accurately the global minima of the Ising Hamiltonian which, in turn, increases the quality of solutions found. Last, we discuss the possibility of a physical implementation of the proposed method using networks of degenerate optical parametric oscillators.
Reversing quantum dynamics with near-optimal quantum and classical fidelity
NASA Astrophysics Data System (ADS)
Barnum, H.; Knill, E.
2002-05-01
We consider the problem of reversing quantum dynamics, with the goal of preserving an initial state's quantum entanglement or classical correlation with a reference system. We exhibit an approximate reversal operation, adapted to the initial density operator and the "noise" dynamics to be reversed. We show that its error in preserving either quantum or classical information is no more than twice that of the optimal reversal operation. Applications to quantum algorithms and information transmission are discussed.
Gauging a quantum heat bath with dissipative Landau-Zener transitions.
Wubs, Martijn; Saito, Keiji; Kohler, Sigmund; Hänggi, Peter; Kayanuma, Yosuke
2006-11-17
We calculate the exact Landau-Zener transition probabilities for a qubit with an arbitrary linear coupling to a bath at zero temperature. The final quantum state exhibits a peculiar entanglement between the qubit and the bath. In the special case of diagonal coupling, the bath does not influence the transition probability, whatever the speed of the Landau-Zener sweep. It is proposed to use Landau-Zener transitions to determine both the reorganization energy and the integrated spectral density of the bath. Possible applications include circuit QED and molecular nanomagnets.
Gauging a Quantum Heat Bath with Dissipative Landau-Zener Transitions
Wubs, Martijn; Kohler, Sigmund; Haenggi, Peter; Saito, Keiji; Kayanuma, Yosuke
2006-11-17
We calculate the exact Landau-Zener transition probabilities for a qubit with an arbitrary linear coupling to a bath at zero temperature. The final quantum state exhibits a peculiar entanglement between the qubit and the bath. In the special case of diagonal coupling, the bath does not influence the transition probability, whatever the speed of the Landau-Zener sweep. It is proposed to use Landau-Zener transitions to determine both the reorganization energy and the integrated spectral density of the bath. Possible applications include circuit QED and molecular nanomagnets.
Quantum dynamics of two-photon quantum Rabi model
NASA Astrophysics Data System (ADS)
Lü, Zhiguo; Zhao, Chunjian; Zheng, Hang
2017-02-01
We apply a simple analytical method based on a unitary transformation to calculate the ground state, its excitation spectrum and quantum dynamic evolution of physical quantities for the double-photon quantum Rabi Hamiltonian over the wide coupling-strength range. The concise analytical method possesses the same mathematical simplicity as the approach of the rotating wave approximation (RWA). By quantitative comparison with the numerically exact result obtained by matrix diagonalization, we confirm that our calculated results obtained by transformed rotating-wave method are not only accurate in the weak coupling regime but also correct in intermediate strong-coupling case. In the intermediate ultrastrong-coupling regime, the calculated values of the ground state and lower lying excited states are nearly the same as the exact ones. It turns out that our calculation for the energy spectrum is beyond the ordinary-RWA. Meanwhile, we demonstrate the signatures resulting from the counter-rotating wave terms by monitoring the population, the coherence, the squeezing of the photon under the ultra-strong conditions. In particular, we find that when the frequency of the photon is much larger than the transition frequency of the system, the lineshape of the time evolution becomes complicated with the increase of the coupling strength, which may be verified experimentally.
Quantum walk coherences on a dynamical percolation graph.
Elster, Fabian; Barkhofen, Sonja; Nitsche, Thomas; Novotný, Jaroslav; Gábris, Aurél; Jex, Igor; Silberhorn, Christine
2015-08-27
Coherent evolution governs the behaviour of all quantum systems, but in nature it is often subjected to influence of a classical environment. For analysing quantum transport phenomena quantum walks emerge as suitable model systems. In particular, quantum walks on percolation structures constitute an attractive platform for studying open system dynamics of random media. Here, we present an implementation of quantum walks differing from the previous experiments by achieving dynamical control of the underlying graph structure. We demonstrate the evolution of an optical time-multiplexed quantum walk over six double steps, revealing the intricate interplay between the internal and external degrees of freedom. The observation of clear non-Markovian signatures in the coin space testifies the high coherence of the implementation and the extraordinary degree of control of all system parameters. Our work is the proof-of-principle experiment of a quantum walk on a dynamical percolation graph, paving the way towards complex simulation of quantum transport in random media.
Quantum spin dynamics and entanglement in systems with long-range interactions
NASA Astrophysics Data System (ADS)
Rey, Ana M.
One of the fundamental goals of modern quantum sciences is to learn how to control and manipulate non-equilibrium many-body systems and use them to make powerful and improved quantum devices, materials and technologies. However, out-of-equilibrium systems are complex, typically strongly correlated and entangled, and thus to model them we are in an urgent need of new methodologies. In this talk I will discuss new theoretical methods that we have developed to investigate emergent non-equilibrium phenomena in driven-dissipative spin systems interacting via long-range interactions. I will show we can capture the dynamics of correlations and entanglement in close systems and the interplay between dissipation and entanglement in open quantum systems including spin-boson models. As a specific application I will discuss the use of our methods to model the spin dynamics exhibited by arrays of trapped ions with controllable long-range interactions. I will show that our predictions are consistent with recent experimental measurements. I will also discuss new protocols to diagnostic and characterize entanglement based on well-established NMR protocols This work is supported by NSF, ARO, AFOSR-MURI, and NIST.
Recombination Dynamics in Quantum Well Semiconductor Structures
NASA Astrophysics Data System (ADS)
Fouquet, Julie Elizabeth
Time-resolved and time-integrated photoluminescence as a function of excitation energy density have been observed in order to study recombination dynamics in GaAs/Al(,x)Ga(,1 -x)As quantum well structures. The study of room temperature photoluminescence from the molecular beam epitaxy (MBE) -grown multiple quantum well structure and photoluminescence peak energy as a function of tem- perature shows that room temperature recombination at excitation densities above the low 10('16) cm('-3) level is due to free carriers, not excitons. This is the first study of time-resolved photoluminescence of impurities in quantum wells; data taken at different emission wave- lengths at low temperatures shows that the impurity-related states at photon energies lower than the free exciton peaks luminesce much more slowly than the free exciton states. Results from a similar structure grown by metal -organic chemical vapor deposition (MOCVD) are explained by saturation of traps. An unusual increase in decay rate observed tens of nanoseconds after excitation is probably due to carriers falling out of the trap states. Since this is the first study of time-resolved photoluminescence of MOCVD-grown quantum well structures, this unusual behavior may be realted to the MOCVD growth process. Further investigations indi- cate that the traps are not active at low temperatures; they become active at approximately 150 K. The traps are probably associated with the (hetero)interfaces rather than the bulk Al(,x)Ga(,1-x)As material. The 34 K photoluminescence spectrum of this sample revealed a peak shifted down by approximately 36 meV from the main peak. Time-resolved and time-integrated photoluminescence results here show that this peak is not a stimulated phonon emission sideband, but rather is an due to an acceptor impurity, probably carbon. Photo- luminescence for excitation above and below the barrier bandgap shows that carriers are efficiently collected in the wells in both single and multiple
Trotter-based simulation of quantum-classical dynamics.
Kernan, Dónal Mac; Ciccotti, Giovanni; Kapral, Raymond
2008-01-17
Quantum rate processes in condensed phase systems are often computed by combining quantum and classical descriptions of the dynamics. An algorithm for simulating the quantum-classical Liouville equation, which describes the dynamics of a quantum subsystem coupled to a classical bath, is presented in this paper. The algorithm is based on a Trotter decomposition of the quantum-classical propagator, in conjunction with Monte Carlo sampling of quantum transitions, to yield a surface-hopping representation of the dynamics. An expression for the nonadiabatic propagator that is responsible for quantum transitions and associated bath momentum changes is derived in a form that is convenient for Monte Carlo sampling and exactly conserves the total energy of the system in individual trajectories. The expectation values of operators or quantum correlation functions can be evaluated by initial sampling of quantum states and use of quantum-classical Liouville dynamics for the time evolution. The algorithm is tested by calculations on the spin-boson model, for which exact quantum results are available, and is shown to reproduce the exact results for stronger nonadiabatic coupling and much longer times using fewer trajectories than other schemes for simulating quantum-classical Liouville dynamics.
Numerical approach to time-dependent quantum transport and dynamical Kondo transition.
Zheng, Xiao; Jin, Jinshuang; Welack, Sven; Luo, Meng; Yan, YiJing
2009-04-28
An accurate and efficient numerical approach is developed for the transient electronic dynamics of open quantum systems at low temperatures. The calculations are based on a formally exact hierarchical equations of motion quantum dissipation theory [J. S. Jin et al., J. Chem. Phys. 128, 234703 (2008)]. We propose a hybrid scheme that combines the Matsubara expansion technique and a frequency dispersion treatment to account for reservoir correlation functions. The new scheme not just admits various forms of reservoir spectral functions but also greatly reduces the computational cost of the resulting hierarchical equations, especially in the low temperature regime. Dynamical Kondo effects are obtained and the cotunneling induced Kondo transitions are resolved in the transient current in response to time-dependent external voltages.
Topological blocking in quantum quench dynamics
NASA Astrophysics Data System (ADS)
Kells, G.; Sen, D.; Slingerland, J. K.; Vishveshwara, S.
2014-06-01
We study the nonequilibrium dynamics of quenching through a quantum critical point in topological systems, focusing on one of their defining features: ground-state degeneracies and associated topological sectors. We present the notion of "topological blocking," experienced by the dynamics due to a mismatch in degeneracies between two phases, and we argue that the dynamic evolution of the quench depends strongly on the topological sector being probed. We demonstrate this interplay between quench and topology in models stemming from two extensively studied systems, the transverse Ising chain and the Kitaev honeycomb model. Through nonlocal maps of each of these systems, we effectively study spinless fermionic p-wave paired topological superconductors. Confining the systems to ring and toroidal geometries, respectively, enables us to cleanly address degeneracies, subtle issues of fermion occupation and parity, and mismatches between topological sectors. We show that various features of the quench, which are related to Kibble-Zurek physics, are sensitive to the topological sector being probed, in particular, the overlap between the time-evolved initial ground state and an appropriate low-energy state of the final Hamiltonian. While most of our study is confined to translationally invariant systems, where momentum is a convenient quantum number, we briefly consider the effect of disorder and illustrate how this can influence the quench in a qualitatively different way depending on the topological sector considered.
Dynamics of Super Quantum Correlations and Quantum Correlations for a System of Three Qubits
NASA Astrophysics Data System (ADS)
Siyouri, F.; El Baz, M.; Rfifi, S.; Hassouni, Y.
2016-04-01
The dynamics of quantum discord for two qubits independently interacting with dephasing reservoirs have been studied recently. The authors [Phys. Rev. A 88 (2013) 034304] found that for some Bell-diagonal states (BDS) which interact with their environments the calculation of quantum discord could experience a sudden transition in its dynamics, this phenomenon is known as the sudden change. Here in the present paper, we analyze the dynamics of normal quantum discord and super quantum discord for tripartite Bell-diagonal states independently interacting with dephasing reservoirs. Then, we find that basis change does not necessary mean sudden change of quantum correlations.
Ibergay, Cyrille; Malfreyt, Patrice; Tildesley, Dominic J
2009-12-08
We report mesoscopic simulations of bulk electrolytes and polyelectrolyte brushes using the dissipative particle dynamics (DPD) method. The calculation of the electrostatic interactions is carried out using both the Ewald summation method and the particle-particle particle-mesh technique with charges distributed over the particles. The local components of the pressure tensor are calculated using the Irving and Kirkwood, and the method of planes and mechanical equilibrium is demonstrated. The profiles of the normal component of the pressure tensor are shown to be similar for both the Ewald and particle-particle particle-mesh methods for a single polyelectrolyte brush. We show that the PPPM method with the MOP technique is the appropriate choice for simulations of this type. The mesoscale modeling of a strongly stretched polylectrolyte brush formed by strong charged polymer chains at a high grafting density shows that the polyelectrolyte follows the nonlinear osmotic regime, as expected from the calculation of the Gouy-Chapman length and the dimensionless Manning ratio.
Dissipative Particle Dynamics Method on PH-Responsive Polymeric Drug Delivery System
NASA Astrophysics Data System (ADS)
Guo, Yingying
2013-03-01
The self-assembled morphologies formed by polymer in selective solvent could be potentially used as drug-delivery vehicles and has attracted great attention recently. In our work, the drug release mechanism of polymeric delivery vehicle (polymeric microsphere) is investigated with Dissipative particle dynamics simulation. Poly (Lactic Acid)-b-polyethylene glycol (PLA-b-PEG) diblock copolymer is the carrier while IBU is selected as the model drug. A core-shell spherical micelle with drug encapsulated in the core is obtained in our simulation. By changing the medium from neutral to acid, the drugs release via a diffuse mechanism. Both the formation mechanism of the encapsulant and the release mechanism for the drugs are studied in our work. For the formation process, it can be ascribed as the coalesce of the small clusters and the disperse of the drugs; while for the drug release behavior, the process can be divided for three stages: (1) swell of the polymeric carrier, (2) drug diffuse in the carrier and some acid molecules disperse into the carrier, (3) drug release towards the acid medium. Our results might provide a mesoscopic methodology for the evaluation and prediction for polymeric self-assemblies as a carrier for pharmaceutical interest.
NASA Astrophysics Data System (ADS)
Wang, Sibo; Xu, Junbo; Wen, Hao
2014-12-01
The heavy crude oil consists of thousands of compounds and much of them have large molecular weights and complex structures. Studying the aggregation and diffusion behavior of asphaltenes can facilitate the understanding of the heavy crude oil. In previous studies, the fused aromatic rings were treated as rigid bodies so that dissipative particle dynamics (DPD) integrated with the quaternion method can be used to study asphaltene systems. In this work, DPD integrated with the quaternion method is implemented on graphics processing units (GPUs). Compared with the serial program, tens of times speedup can be achieved when simulations performed on a single GPU. Using multiple GPUs can provide faster computation speed and more storage space for simulations of significant large systems. By using large systems, simulations of the asphaltene-toluene system at extremely dilute concentrations can be performed. The determined diffusion coefficients of asphaltenes are similar to that in experimental studies. At last, the aggregation behavior of asphaltenes in heptane was investigated, and the simulation results agreed with the modified Yen model. Monomers, nanoaggregates and clusters were observed from the simulations at different concentrations.
Dissipative particle dynamics simulation on the rheological properties of heavy crude oil
NASA Astrophysics Data System (ADS)
Wang, Sibo; Xu, Junbo; Wen, Hao
2015-11-01
The rheological properties of heavy crude oil have a significant impact on the production, refining and transportation. In this paper, dissipative particle dynamics (DPD) simulations were performed to study the effects of the addition of light crude oil and emulsification on the rheological properties of heavy crude oil. The simulation results reflected that the addition of light crude oil reduced the viscosity effectively. The shear thinning behaviour of crude oil mixtures were becoming less distinct as the increase of the mass fraction of light crude oil. According to the statistics, the shear had an influence on the aggregation and spatial orientation of asphaltene molecules. In addition, the relationship between the viscosity and the oil mass fraction was investigated in the simulations of emulsion systems. The viscosity increased with the oil mass fraction slowly in oil-in-water emulsions. When the oil mass fraction was higher than 50%, the increase became much faster since systems had been converted into water-in-oil emulsions. The equilibrated morphologies of emulsion systems were shown to illustrate the phase inversion. The surfactant-like feature of asphaltenes was also studied in the simulations.
NASA Astrophysics Data System (ADS)
Maia, Joao; Khani, Shaghayegh
2015-03-01
Nanorods are incorporated into polymer matrices for fabricating composite materials with enhanced physical and mechanical properties.The final macroscopic properties of the composites are directly related to the dispersion and organization of the nanoparticles in the matrix. For instance, a significant improvement in the mechanical properties of the nanorod-polymer composites is observed upon formation of a percolating network. One way of controlling the assembly of nanorods in the polymer medium is adjusting the chemical interactions which is done through grafting polymer chains on the surface of the rods. The recent developments in the computational techniques have paved the road for further understanding of the controlled dispersion and aggregation of nanorods in polymer matrices. In this study, Dissipative Particle Dynamics (DPD) is employed in order to investigate the effect of enthalpic and entopic variables on the phase behavior of the abovementioned nanocomposites. In DPD, the interaction parameter between the components of the systems can be mapped onto the Flory-Huggins χ-parameter via well-known Groot-Warren expression. This works studies the effect of the enthalpic and entropic variables on phase transitions. The main goal is to provide a phase diagram than can be used to guide the experiments in designing new materials.
On the connection between dissipative particle dynamics and the Itô-Stratonovich dilemma
NASA Astrophysics Data System (ADS)
Farago, Oded; Grønbech-Jensen, Niels
2016-02-01
Dissipative Particle Dynamics (DPD) is a popular simulation model for investigating hydrodynamic behavior of systems with non-negligible equilibrium thermal fluctuations. DPD employs soft core repulsive interactions between the system particles, thus allowing them to overlap. This supposedly permits relatively large integration time steps, which is an important feature for simulations on large temporal scales. In practice, however, an increase in the integration time step leads to increasingly larger systematic errors in the sampling statistics. Here, we demonstrate that the prime origin of these systematic errors is the multiplicative nature of the thermal noise term in Langevin's equation, i.e., the fact that it depends on the instantaneous coordinates of the particles. This lead to an ambiguity in the interpretation of the stochastic differential Langevin equation, known as the Itô-Stratonovich dilemma. Based on insights from previous studies of the dilemma, we propose a novel algorithm for DPD simulations exhibiting almost an order of magnitude improvement in accuracy, and nearly twice the efficiency of commonly used DPD Langevin thermostats.
NASA Astrophysics Data System (ADS)
Moreno, Nicolas; Nunes, Suzana P.; Calo, Victor M.
2015-11-01
We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥ 200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥ 20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.
Well-behaved dynamics in a dissipative nonideal periodically kicked rotator.
Chacón, R; Martínez García-Hoz, A
2003-12-01
Well-behaved dynamical properties are found in a dissipative kicked rotator subjected to a periodic string of asymmetric pulses of finite amplitude and width. The stability boundaries of the equilibrium are determined to arbitrary approximation for trigonometric pulses by means of circular harmonic balance, and to first approximation for general elliptic pulses by means of an elliptic harmonic balance method. The bifurcation behavior at the stability boundaries is determined numerically. We show how the extension of the instability region of the equilibrium in pulse parameter space reaches a maximum as the pulse width is varied. We also characterize the dependence of the mean duration of the transients to the equilibrium on the pulse width. The evolution of the basins of attraction of chaotic attractors when solely the pulse width is varied is characterized numerically. Finally, we show that the order-chaos route when solely the width of the pulses is altered appears to be especially rich, including different types of crises. The mechanism underlying these reshaping-induced crises is discussed with the aid of a two-dimensional map.
Polymer-mediated nanorod self-assembly predicted by dissipative particle dynamics simulations.
Khani, Shaghayegh; Jamali, Safa; Boromand, Arman; Hore, Michael J A; Maia, Joao
2015-09-14
Self-assembly of nanoparticles in polymer matrices is an interesting and growing subject in the field of nanoscience and technology. We report herein on modelling studies of the self-assembly and phase behavior of nanorods in a homopolymer matrix, with the specific goal of evaluating the role of deterministic entropic and enthalpic factors that control the aggregation/dispersion in such systems. Grafting polymer brushes from the nanorods is one approach to control/impact their self-assembly capabilities within a polymer matrix. From an energetic point of view, miscible interactions between the brush and the matrix are required for achieving a better dispersibility; however, grafting density and brush length are the two important parameters in dictating the morphology. Unlike in previous computational studies, the present Dissipative Particle Dynamics (DPD) simulation framework is able to both predict dispersion or aggregation of nanorods and determine the self-assembled structure, allowing for the determination of a phase diagram, which takes all of these factors into account. Three types of morphologies are predicted: dispersion, aggregation and partial aggregation. Moreover, favorable enthalpic interactions between the brush and the matrix are found to be essential for expanding the window for achieving a well-dispersed morphology. A three-dimensional phase diagram is mapped on which all the afore-mentioned parameters are taken into account. Additionally, in the case of immiscibility between brushes and the matrix, simulations predict the formation of some new and tunable structures.
Dissipative dynamics of a particle in a vibrating periodic potential: Chaos and control
NASA Astrophysics Data System (ADS)
Chacón, R.; Martínez, P. J.; Martínez, J. A.
2015-12-01
The dissipative chaotic dynamics of a particle subjected to a horizontally vibrating periodic potential is characterized theoretically and confirmed numerically in the case of an external chaos-controlling periodic excitation also acting on the particle. Theoretical predictions concerning the chaotic threshold in parameter space are deduced from the application of Melnikov's method that fully determine the chaos-control scenario. Also, the structure of diverse regularization regions in parameter space is explained theoretically with the aid of an energy analysis. It was found that the phase difference between the two periodic excitations involved plays a crucial role in the chaos-control scenario, with the particular feature that its optimal value depends upon the ratio between the damping coefficient and the excitation frequency. This constitutes a genuine feature of the chaos-control scenario associated with nonsteady potentials which is in contrast to the case of steady potentials. Additionally, we demonstrate the robustness of the chaos-control scenario against the presence of low-intensity Gaussian noise and reshaping of chaos-suppressing excitations.
Dai, Xingxing; Ding, Haiou; Yin, Qianqian; Wan, Guang; Shi, Xinyuan; Qiao, Yanjiang
2015-04-01
Platycodin, as a kind of plant based biosurfactants, are saponins which derived from the root of Platycodon grandiflorum A. DC. It has been confirmed that platycodin have the potential to enhance the solubility of hydrophobic drugs and function as the drug carrier, which depends on their micellization over critical micelle concentration (CMC) in aqueous solutions. With the purpose of investigating the effects of influencing factors on the micellization behavior of platycodin and obtaining the phase behavior details at a mesoscopic level, dissipative particle dynamics (DPD) simulations method has been adopted in this study. The simulations reveal that a rich variety of aggregates morphologies will appear with changes of structure or the concentration of saponins, including spherical, ellipse and oblate micelles and vesicles, multilamellar vesicles (MLVs), multicompartment vesicles (MCMs), tubular and necklace-like micelle. They can be formed spontaneously from a randomly generated initial state and the result has been represented in the phase diagrams. Furthermore, deeper explorations have been done on the concentration-dependent structure variation of spherical vesicles as well as the formation mechanism of MLVs. This work provides insight into the solubilization system formed by platycodin, and may serve as guidance for further development and application in pharmaceutical field of platycodin and other saponins.
Zhou, Yang; Li, Yixue; Qian, Wen; He, Bi
2016-09-01
Based on dissipative particle dynamics (DPD) methods and experimental data, we used an empirical relationship between the DPD temperature and the real temperature to build a model that describes the viscosity of molten TNT fluids. The errors in the predicted viscosity based on this model were no more than 2.3 %. We also studied the steady-state shear rheological behavior of molten TNT fluids containing nanoparticles ("nanofluids"). The dependence of the nanofluid viscosity on the temperature was found to satisfy an Arrhenius-type equation, η = Ae (B/T) , where B, the flow activation energy, depends on particle content, size, and shape. We modified the Einstein-type viscosity model to account for the effects of nanoparticle solvation in TNT nanofluids. The resulting model was able to correctly predict the viscosities of suspensions containing nano- to microsized particles, and did not require any changes to the physical background of Einstein's viscosity theory. Graphical Abstract The revised Einstein viscosity model that correctly predict the viscosity of TNT suspensions containing nanoparticles.
NASA Astrophysics Data System (ADS)
Tang, Yu-Hang; Karniadakis, George; Crunch Team
2014-03-01
We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. Computer benchmarks demonstrate the speedup of our implementation over the CPU implementation as well as strong and weak scalability. A large-scale simulation of spontaneous vesicle formation consisting of 128 million particles was conducted to illustrate the practicality of our code in real-world applications. This work was supported by the new Department of Energy Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4). Simulations were carried out at the Oak Ridge Leadership Computing Facility through the INCITE program under project BIP017.
Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V
2013-09-05
Micelle formation in surfactant solutions is a self-assembly process governed by complex interplay of solvent-mediated interactions between hydrophilic and hydrophobic groups, which are commonly called heads and tails. However, the head-tail repulsion is not the only factor affecting the micelle formation. For the first time, we present a systematic study of the effect of chain rigidity on critical micelle concentration and micelle size, which is performed with the dissipative particle dynamics simulation method. Rigidity of the coarse-grained surfactant molecule was controlled by the harmonic bonds set between the second-neighbor beads. Compared to flexible molecules with the nearest-neighbor bonds being the only type of bonded interactions, rigid molecules exhibited a lower critical micelle concentration and formed larger and better-defined micelles. By varying the strength of head-tail repulsion and the chain rigidity, we constructed two-dimensional diagrams presenting how the critical micelle concentration and aggregation number depend on these parameters. We found that the solutions of flexible and rigid molecules that exhibited approximately the same critical micelle concentration could differ substantially in the micelle size and shape depending on the chain rigidity. With the increase of surfactant concentration, primary micelles of more rigid molecules were found less keen to agglomeration and formation of nonspherical aggregates characteristic of flexible molecules.
Dissipative dynamics of a particle in a vibrating periodic potential: Chaos and control.
Chacón, R; Martínez, P J; Martínez, J A
2015-12-01
The dissipative chaotic dynamics of a particle subjected to a horizontally vibrating periodic potential is characterized theoretically and confirmed numerically in the case of an external chaos-controlling periodic excitation also acting on the particle. Theoretical predictions concerning the chaotic threshold in parameter space are deduced from the application of Melnikov's method that fully determine the chaos-control scenario. Also, the structure of diverse regularization regions in parameter space is explained theoretically with the aid of an energy analysis. It was found that the phase difference between the two periodic excitations involved plays a crucial role in the chaos-control scenario, with the particular feature that its optimal value depends upon the ratio between the damping coefficient and the excitation frequency. This constitutes a genuine feature of the chaos-control scenario associated with nonsteady potentials which is in contrast to the case of steady potentials. Additionally, we demonstrate the robustness of the chaos-control scenario against the presence of low-intensity Gaussian noise and reshaping of chaos-suppressing excitations.
Colloquium: Non-Markovian dynamics in open quantum systems
NASA Astrophysics Data System (ADS)
Breuer, Heinz-Peter; Laine, Elsi-Mari; Piilo, Jyrki; Vacchini, Bassano
2016-04-01
The dynamical behavior of open quantum systems plays a key role in many applications of quantum mechanics, examples ranging from fundamental problems, such as the environment-induced decay of quantum coherence and relaxation in many-body systems, to applications in condensed matter theory, quantum transport, quantum chemistry, and quantum information. In close analogy to a classical Markovian stochastic process, the interaction of an open quantum system with a noisy environment is often modeled phenomenologically by means of a dynamical semigroup with a corresponding time-independent generator in Lindblad form, which describes a memoryless dynamics of the open system typically leading to an irreversible loss of characteristic quantum features. However, in many applications open systems exhibit pronounced memory effects and a revival of genuine quantum properties such as quantum coherence, correlations, and entanglement. Here recent theoretical results on the rich non-Markovian quantum dynamics of open systems are discussed, paying particular attention to the rigorous mathematical definition, to the physical interpretation and classification, as well as to the quantification of quantum memory effects. The general theory is illustrated by a series of physical examples. The analysis reveals that memory effects of the open system dynamics reflect characteristic features of the environment which opens a new perspective for applications, namely, to exploit a small open system as a quantum probe signifying nontrivial features of the environment it is interacting with. This Colloquium further explores the various physical sources of non-Markovian quantum dynamics, such as structured environmental spectral densities, nonlocal correlations between environmental degrees of freedom, and correlations in the initial system-environment state, in addition to developing schemes for their local detection. Recent experiments addressing the detection, quantification, and control of
Quantum gravity, dynamical phase-space and string theory
NASA Astrophysics Data System (ADS)
Freidel, Laurent; Leigh, Robert G.; Minic, Djordje
2014-08-01
In a natural extension of the relativity principle, we speculate that a quantum theory of gravity involves two fundamental scales associated with both dynamical spacetime as well as dynamical momentum space. This view of quantum gravity is explicitly realized in a new formulation of string theory which involves dynamical phase-space and in which spacetime is a derived concept. This formulation naturally unifies symplectic geometry of Hamiltonian dynamics, complex geometry of quantum theory and real geometry of general relativity. The spacetime and momentum space dynamics, and thus dynamical phase-space, is governed by a new version of the renormalization group (RG).
Quantum dissipation in a neutrino system propagating in vacuum and in matter
NASA Astrophysics Data System (ADS)
Guzzo, Marcelo M.; de Holanda, Pedro C.; Oliveira, Roberto L. N.
2016-07-01
Considering the neutrino state like an open quantum system, we analyze its propagation in vacuum or in matter. After defining what can be called decoherence and relaxation effects, we show that in general the probabilities in vacuum and in constant matter can be written in a similar way, which is not an obvious result for such system. From this result, we analyze the situation where neutrino evolution satisfies the adiabatic limit and use this formalism to study solar neutrinos. We show that the decoherence effect may not be bounded by the solar neutrino data and review some results in the literature, in particular the current results where solar neutrinos were used to put bounds on decoherence effects through a model-dependent approach. We conclude explaining how and why these models are not general and we reinterpret these constraints.
Scheme for accelerating quantum tunneling dynamics
NASA Astrophysics Data System (ADS)
Khujakulov, Anvar; Nakamura, Katsuhiro
2016-02-01
We propose a scheme of the exact fast forwarding of standard quantum dynamics for a charged particle. The present idea allows the acceleration of both the amplitude and the phase of the wave function throughout the fast-forward time range and is distinct from that of Masuda and Nakamura [Proc. R. Soc. A 466, 1135 (2010), 10.1098/rspa.2009.0446], which enabled acceleration of only the amplitude of the wave function on the way. We apply the proposed method to the quantum tunneling phenomena and obtain the electromagnetic field to ensure the rapid penetration of wave functions through a tunneling barrier. Typical examples described here are (1) an exponential wave packet passing through the δ -function barrier and (2) the opened Moshinsky shutter with a δ -function barrier just behind the shutter. We elucidate the tunneling current in the vicinity of the barrier and find a remarkable enhancement of the tunneling rate (tunneling power) due to the fast forwarding. In the case of a very high barrier, in particular, we present the asymptotic analysis and exhibit a suitable driving force to recover a recognizable tunneling current. The analysis is also carried out on the exact acceleration of macroscopic quantum tunneling with use of the nonlinear Schrödinger equation, which accommodates a tunneling barrier.
Quantum dynamics of fast chemical reactions
Light, J.C.
1993-12-01
The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.
Quantum dynamics of a plane pendulum
Leibscher, Monika; Schmidt, Burkhard
2009-07-15
A semianalytical approach to the quantum dynamics of a plane pendulum is developed, based on Mathieu functions which appear as stationary wave functions. The time-dependent Schroedinger equation is solved for pendular analogs of coherent and squeezed states of a harmonic oscillator, induced by instantaneous changes of the periodic potential energy function. Coherent pendular states are discussed between the harmonic limit for small displacements and the inverted pendulum limit, while squeezed pendular states are shown to interpolate between vibrational and free rotational motion. In the latter case, full and fractional revivals as well as spatiotemporal structures in the time evolution of the probability densities (quantum carpets) are quantitatively analyzed. Corresponding expressions for the mean orientation are derived in terms of Mathieu functions in time. For periodic double well potentials, different revival schemes, and different quantum carpets are found for the even and odd initial states forming the ground tunneling doublet. Time evolution of the mean alignment allows the separation of states with different parity. Implications for external (rotational) and internal (torsional) motion of molecules induced by intense laser fields are discussed.
What can we learn from the dynamics of entanglement and quantum discord in the Tavis-Cummings model?
NASA Astrophysics Data System (ADS)
Restrepo, Juliana; Rodriguez, Boris A.
We revisit the problem of the dynamics of quantum correlations in the exact Tavis-Cummings model. We show that many of the dynamical features of quantum discord attributed to dissipation are already present in the exact framework and are due to the well known non-linearities in the model and to the choice of initial conditions. Through a comprehensive analysis, supported by explicit analytical calculations, we find that the dynamics of entanglement and quantum discord are far from being trivial or intuitive. In this context, we find states that are indistinguishable from the point of view of entanglement and distinguishable from the point of view of quantum discord, states where the two quantifiers give opposite information and states where they give roughly the same information about correlations at a certain time. Depending on the initial conditions, this model exhibits a fascinating range of phenomena that can be used for experimental purposes such as: Robust states against change of manifold or dissipation, tunable entanglement states and states with a counterintuitive sudden birth as the number of photons increase. We furthermore propose an experiment called quantum discord gates where discord is zero or non-zero depending on the number of photons. This work was supported by the Vicerrectoria de Investigacion of the Universidad Antonio Narino, Colombia under Project Number 20141031 and by the Departamento Administrativo de Ciencia, Tecnologia e Innovacion (COLCIENCIAS) of Colombia under Grant Number.
Ness, H; Dash, L K
2014-04-14
We study the non-equilibrium (NE) fluctuation-dissipation (FD) relations in the context of quantum thermoelectric transport through a two-terminal nanodevice in the steady-state. The FD relations for the one- and two-particle correlation functions are derived for a model of the central region consisting of a single electron level. Explicit expressions for the FD relations of the Green's functions (one-particle correlations) are provided. The FD relations for the current-current and charge-charge (two-particle) correlations are calculated numerically. We use self-consistent NE Green's functions calculations to treat the system in the absence and in the presence of interaction (electron-phonon) in the central region. We show that, for this model, there is no single universal FD theorem for the NE steady state. There are different FD relations for each different class of problems. We find that the FD relations for the one-particle correlation function are strongly dependent on both the NE conditions and the interactions, while the FD relations of the current-current correlation function are much less dependent on the interaction. The latter property suggests interesting applications for single-molecule and other nanoscale transport experiments.
Dynamical Causal Modeling from a Quantum Dynamical Perspective
Demiralp, Emre; Demiralp, Metin
2010-09-30
Recent research suggests that any set of first order linear vector ODEs can be converted to a set of specific vector ODEs adhering to what we have called ''Quantum Harmonical Form (QHF)''. QHF has been developed using a virtual quantum multi harmonic oscillator system where mass and force constants are considered to be time variant and the Hamiltonian is defined as a conic structure over positions and momenta to conserve the Hermiticity. As described in previous works, the conversion to QHF requires the matrix coefficient of the first set of ODEs to be a normal matrix. In this paper, this limitation is circumvented using a space extension approach expanding the potential applicability of this method. Overall, conversion to QHF allows the investigation of a set of ODEs using mathematical tools available to the investigation of the physical concepts underlying quantum harmonic oscillators. The utility of QHF in the context of dynamical systems and dynamical causal modeling in behavioral and cognitive neuroscience is briefly discussed.
Dynamics of Quenched Ultracold Quantum Gases
NASA Astrophysics Data System (ADS)
Corson, John P.
Recent advances in the tunability of ultracold atomic gases have created opportunities for studying interesting quantum many-body systems. Fano-Feshbach resonances, in particular, allow experimenters to freely adjust the scattering of atoms by controlling an external magnetic field. By rapidly changing this field near a resonance, it is possible to drive systems out of equilibrium towards novel quantum states where correlations between atoms change dynamically. In this thesis, we take a wave-function-based approach to theoretically examine the response of several interesting systems to suddenly-switched, or "quenched", interactions. We first calculate the time evolution of a Bose-Einstein condensate that is quenched to the unitarity regime, where the scattering length a diverges. Working within the time-dependent variational formalism, we find that the condensate does not deplete as quickly as the usual Bogoliubov theory would suggest. We also make a quantitative prediction for the dynamics of short-range pair correlations, encoded in Tan's contact. We then consider the dynamics of these correlations for quenches to small a, and we find that bound states can cause high-contrast oscillations of the contact. These dynamics can be modeled quantitatively at short times by using a properly-chosen two-body model. Finally, we characterize the nonlocal correlation waves that are generated by an interaction quench in arbitrary dimensionality. Our analysis demonstrates that the large-momentum limit of the post-quench momentum distribution can sometimes include contributions from both the short range and the long range, depending on the quench protocol.
Optimal dynamic discrimination of similar quantum systems
NASA Astrophysics Data System (ADS)
Li, Baiqing
2005-07-01
The techniques for identifying and separating similar molecules have always been very important to chemistry and other branches of science and engineering. Similar quantum systems share comparable Hamiltonians, so their eigenenergy levels, transition dipole moments, and therefore their ordinary observable properties are alike. Traditional analytical methods have mostly been restricted by working with the subtle differences in the physical and chemical properties of the similar species. Optimal Dynamic Discrimination (ODD) aims at magnifying the dissimilarity of the agents by actively controlling their quantum evolution, drawing on the extremely rich information embedded in their dynamics. ODD is developed based on the tremendous flexibility of Optimal Control Theory (OCT) and on the practical implementation of closed-loop learning control, which has become a more and more indispensable tool for controlling quantum processes. The ODD experimental paradigm is designed to combat a number of factors that are detrimental to the discrimination of similar molecules: laser pulse noise, signal detection errors, finite time resolution in the signals, and environmental decoherence effects. It utilizes either static signals or time series signal, the latter capable of providing more information. Simulations are performed in this dissertation progressing from the wave function to the density matrix formulation, in order to study the decoherence effects. Analysis of the results reveals the roles of the adverse factors, unravels the underlying mechanisms of ODD, and provides insights on laboratory implementation. ODD emphasizes the incorporation of algorithmic development and laboratory design, and seeks to bridge the gap between theoretical/computational chemistry and experimental chemistry, with the help from applied mathematics and computer science.
Ghoufi, Aziz; Malfreyt, Patrice
2012-03-13
Modeling interfacial properties is a major challenge for mesoscopic simulation methods. Many-body dissipative particle dynamics (MDPD) is then a promising method to model heterogeneous systems at long time and length scales. However no rule exists to obtain a set of MDPD parameters capable to reproduce the thermodynamic properties of a molecular system of a specific chemistry. In this letter, we provide a general multiscale method to obtain a set of parameters from atomistic simulations using Flory-Huggins theory (FH) to be used with dissipative particle dynamics. We demonstrate the high quality and the transferability of the resulting parameters on the salt concentration dependence of surface tension. We also show the specificity of inorganic salt at the water-air interface. Our results indicate that the increase of surface tension with the salt concentration cannot be explained in terms of the charge image concept based on the Wagner, Onsager, and Samaras theory but rather in terms of the ion hydration.
Modeling quantum fluid dynamics at nonzero temperatures
Berloff, Natalia G.; Brachet, Marc; Proukakis, Nick P.
2014-01-01
The detailed understanding of the intricate dynamics of quantum fluids, in particular in the rapidly growing subfield of quantum turbulence which elucidates the evolution of a vortex tangle in a superfluid, requires an in-depth understanding of the role of finite temperature in such systems. The Landau two-fluid model is the most successful hydrodynamical theory of superfluid helium, but by the nature of the scale separations it cannot give an adequate description of the processes involving vortex dynamics and interactions. In our contribution we introduce a framework based on a nonlinear classical-field equation that is mathematically identical to the Landau model and provides a mechanism for severing and coalescence of vortex lines, so that the questions related to the behavior of quantized vortices can be addressed self-consistently. The correct equation of state as well as nonlocality of interactions that leads to the existence of the roton minimum can also be introduced in such description. We review and apply the ideas developed for finite-temperature description of weakly interacting Bose gases as possible extensions and numerical refinements of the proposed method. We apply this method to elucidate the behavior of the vortices during expansion and contraction following the change in applied pressure. We show that at low temperatures, during the contraction of the vortex core as the negative pressure grows back to positive values, the vortex line density grows through a mechanism of vortex multiplication. This mechanism is suppressed at high temperatures. PMID:24704874
Dynamical phase transitions in quantum mechanics
NASA Astrophysics Data System (ADS)
Rotter, Ingrid
2012-02-01
The nucleus is described as an open many-body quantum system with a non-Hermitian Hamilton operator the eigenvalues of which are complex, in general. The eigenvalues may cross in the complex plane (exceptional points), the phases of the eigenfunctions are not rigid in approaching the crossing points and the widths bifurcate. By varying only one parameter, the eigenvalue trajectories usually avoid crossing and width bifurcation occurs at the critical value of avoided crossing. An analog spectroscopic redistribution takes place for discrete states below the particle decay threshold. By this means, a dynamical phase transition occurs in the many-level system starting at a critical value of the level density. Hence the properties of the low-lying nuclear states (described well by the shell model) and those of highly excited nuclear states (described by random ensembles) differ fundamentally from one another. The statement of Niels Bohr on the collective features of compound nucleus states at high level density is therefore not in contradiction to the shell-model description of nuclear (and atomic) states at low level density. Dynamical phase transitions are observed experimentally in different quantum mechanical systems by varying one or two parameters.
Quantum nature of the big bang: Improved dynamics
Ashtekar, Abhay; Pawlowski, Tomasz; Singh, Parampreet
2006-10-15
An improved Hamiltonian constraint operator is introduced in loop quantum cosmology. Quantum dynamics of the spatially flat, isotropic model with a massless scalar field is then studied in detail using analytical and numerical methods. The scalar field continues to serve as ''emergent time'', the big bang is again replaced by a quantum bounce, and quantum evolution remains deterministic across the deep Planck regime. However, while with the Hamiltonian constraint used so far in loop quantum cosmology the quantum bounce can occur even at low matter densities, with the new Hamiltonian constraint it occurs only at a Planck-scale density. Thus, the new quantum dynamics retains the attractive features of current evolutions in loop quantum cosmology but, at the same time, cures their main weakness.
A quantifier of genuine multipartite quantum correlations and its dynamics
NASA Astrophysics Data System (ADS)
Wang, Xin; Qiu, Liang
2015-03-01
By using measurement-induced disturbance (S Luo 2008 Phys. Rev. A 77 022301), we propose a quantifier for genuine multipartite quantum correlations. The connection between this quantum correlations measure and the quantum advantage in multiport dense coding for pure three-qubit states is established. It is also used to investigate the dynamics of quantum correlations in a four-partite system. The phenomena of generation of quantum correlations and holding of quantum correlations in some time windows are found. As a byproduct, the monogamy score based on measurement-induced disturbance is related to the generalized geometric measure for pure three-qubit states.
Dissipative quantum transport in silicon nanowires based on Wigner transport equation
NASA Astrophysics Data System (ADS)
Barraud, Sylvain
2011-11-01
In this work, we present a one-dimensional model of quantum electron transport for silicon nanowire transistor that makes use of the Wigner function formalism and that takes into account the carrier scattering. Effect of scattering on the current-voltage (I-V) characteristics is assessed using both the relaxation time approximation and the Boltzmann collision operator. Similarly to the classical transport theory, the scattering mechanisms are included in the Wigner formulation through the addition of a collision term in the Liouville equation. As compared to the relaxation time, the Boltzmann collision operator approach is considered to be more realistic because it provides a better description of the scattering events. Within the Fermi golden rule approximation, the standard collision term is described for both acoustic phonon and surface-roughness interactions. It is introduced in the discretized version of the Liouville equation to obtain the Wigner distribution function and the current density. The model is then applied to study the impact of each scattering mechanism on short-channel electrical performance of silicon nanowire transistors for different gate lengths and nanowire widths.
Büttiker probes for dissipative phonon quantum transport in semiconductor nanostructures
NASA Astrophysics Data System (ADS)
Miao, K.; Sadasivam, S.; Charles, J.; Klimeck, G.; Fisher, T. S.; Kubis, T.
2016-03-01
Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and incoherent effects. The nonequilibrium Green's function method is known to serve this purpose well but is numerically expensive in simulating incoherent scattering processes. This work extends the efficient Büttiker probe approach widely used in electron transport to phonons and considers salient implications of the method. Different scattering mechanisms such as impurity, boundary, and Umklapp scattering are included, and the method is shown to reproduce the experimental thermal conductivity of bulk Si and Ge over a wide temperature range. Temperature jumps at the lead/device interface are captured in the quasi-ballistic transport regime consistent with results from the Boltzmann transport equation. Results of this method in Si/Ge heterojunctions illustrate the impact of atomic relaxation on the thermal interface conductance and the importance of inelastic scattering to activate high-energy channels for phonon transport. The resultant phonon transport model is capable of predicting the thermal performance in the heterostructure efficiently.
Large-amplitude nuclear motion formulated in terms of dissipation of quantum fluctuations
NASA Astrophysics Data System (ADS)
Kuzyakin, R. A.; Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.
2017-01-01
The potential-barrier penetrability and quasi-stationary thermal-decay rate of a metastable state are formulated in terms of microscopic quantum diffusion. Apart from linear coupling in momentum between the collective and internal subsystems, the formalism embraces the more general case of linear couplings in both the momentum and the coordinates. The developed formalism is then used for describing the process of projectile-nucleus capture by a target nucleus at incident energies near and below the Coulomb barrier. The capture partial probability, which determines the cross section for formation of a dinuclear system, is derived in analytical form. The total and partial capture cross sections, mean and root-mean-square angular momenta of the formed dinuclear system, astrophysical -factors, logarithmic derivatives, and barrier distributions are derived for various reactions. Also investigated are the effects of nuclear static deformation and neutron transfer between the interacting nuclei on the capture cross section and its isotopic dependence, and the entrance-channel effects on the capture process. The results of calculations for reactions involving both spherical and deformed nuclei are in good agreement with available experimental data.
Dynamics in the quantum/classical limit based on selective use of the quantum potential
Garashchuk, Sophya Dell’Angelo, David; Rassolov, Vitaly A.
2014-12-21
A classical limit of quantum dynamics can be defined by compensation of the quantum potential in the time-dependent Schrödinger equation. The quantum potential is a non-local quantity, defined in the trajectory-based form of the Schrödinger equation, due to Madelung, de Broglie, and Bohm, which formally generates the quantum-mechanical features in dynamics. Selective inclusion of the quantum potential for the degrees of freedom deemed “quantum,” defines a hybrid quantum/classical dynamics, appropriate for molecular systems comprised of light and heavy nuclei. The wavefunction is associated with all of the nuclei, and the Ehrenfest, or mean-field, averaging of the force acting on the classical degrees of freedom, typical of the mixed quantum/classical methods, is avoided. The hybrid approach is used to examine evolution of light/heavy systems in the harmonic and double-well potentials, using conventional grid-based and approximate quantum-trajectory time propagation. The approximate quantum force is defined on spatial domains, which removes unphysical coupling of the wavefunction fragments corresponding to distinct classical channels or configurations. The quantum potential, associated with the quantum particle, generates forces acting on both quantum and classical particles to describe the backreaction.
Dissipative particle dynamics simulations of polymer-protected nanoparticle self-assembly.
Spaeth, Justin R; Kevrekidis, Ioannis G; Panagiotopoulos, Athanassios Z
2011-11-14
Dissipative particle dynamics simulations were used to study the effects of mixing time, solute solubility, solute and diblock copolymer concentrations, and copolymer block length on the rapid coprecipitation of polymer-protected nanoparticles. The simulations were aimed at modeling Flash NanoPrecipitation, a process in which hydrophobic solutes and amphiphilic block copolymers are dissolved in a water-miscible organic solvent and then rapidly mixed with water to produce composite nanoparticles. A previously developed model by Spaeth et al. [J. Chem. Phys. 134, 164902 (2011)] was used. The model was parameterized to reproduce equilibrium and transport properties of the solvent, hydrophobic solute, and diblock copolymer. Anti-solvent mixing was modeled using time-dependent solvent-solute and solvent-copolymer interactions. We find that particle size increases with mixing time, due to the difference in solute and polymer solubilities. Increasing the solubility of the solute leads to larger nanoparticles for unfavorable solute-polymer interactions and to smaller nanoparticles for favorable solute-polymer interactions. A decrease in overall solute and polymer concentration produces smaller nanoparticles, because the difference in the diffusion coefficients of a single polymer and of larger clusters becomes more important to their relative rates of collisions under more dilute conditions. An increase in the solute-polymer ratio produces larger nanoparticles, since a collection of large particles has less surface area than a collection of small particles with the same total volume. An increase in the hydrophilic block length of the polymer leads to smaller nanoparticles, due to an enhanced ability of each polymer to shield the nanoparticle core. For unfavorable solute-polymer interactions, the nanoparticle size increases with hydrophobic block length. However, for favorable solute-polymer interactions, nanoparticle size exhibits a local minimum with respect to the
Electrostatics in dissipative particle dynamics using Ewald sums with point charges
NASA Astrophysics Data System (ADS)
Terrón-Mejía, Ketzasmin A.; López-Rendón, Roberto; Gama Goicochea, Armando
2016-10-01
A proper treatment of electrostatic interactions is crucial for the accurate calculation of forces in computer simulations. Electrostatic interactions are typically modeled using Ewald-based methods, which have become some of the cornerstones upon which many other methods for the numerical computation of electrostatic interactions are based. However, their use with charge distributions rather than point charges requires the inclusion of ansatz for the solutions of the Poisson equation, since there is no exact solution known for smeared out charges. The interest in incorporating electrostatic interactions at the scales of length and time that are relevant for the study the physics of soft condensed matter has increased considerably. Using mesoscale simulation techniques, such as dissipative particle dynamics (DPD), allows us to reach longer time scales in numerical simulations, without abandoning the particulate description of the problem. The main problem with incorporating electrostatics into DPD simulations is that DPD particles are soft and those particles with opposite charge can form artificial clusters of ions. Here we show that one can incorporate the electrostatic interactions through Ewald sums with point charges in DPD if larger values of coarse-graining degree are used, where DPD is truly mesoscopic. Using point charges with larger excluded volume interactions, the artificial formation of ionic pairs with point charges can be avoided and one obtains correct predictions. We establish ranges of parameters useful for detecting boundaries where artificial formation of ionic pairs occurs. Lastly, using point charges we predict the scaling properties of polyelectrolytes in solvents of varying quality, and obtain predictions that are in agreement with calculations that use other methods and with recent experimental results.
NASA Astrophysics Data System (ADS)
Deng, Mingge; Li, Zhen; Borodin, Oleg; Karniadakis, George Em
2016-10-01
We develop a "charged" dissipative particle dynamics (cDPD) model for simulating mesoscopic electrokinetic phenomena governed by the stochastic Poisson-Nernst-Planck and the Navier-Stokes equations. Specifically, the transport equations of ionic species are incorporated into the DPD framework by introducing extra degrees of freedom and corresponding evolution equations associated with each DPD particle. Diffusion of ionic species driven by the ionic concentration gradient, electrostatic potential gradient, and thermal fluctuations is captured accurately via pairwise fluxes between DPD particles. The electrostatic potential is obtained by solving the Poisson equation on the moving DPD particles iteratively at each time step. For charged surfaces in bounded systems, an effective boundary treatment methodology is developed for imposing both the correct hydrodynamic and electrokinetics boundary conditions in cDPD simulations. To validate the proposed cDPD model and the corresponding boundary conditions, we first study the electrostatic structure in the vicinity of a charged solid surface, i.e., we perform cDPD simulations of the electrostatic double layer and show that our results are in good agreement with the well-known mean-field theoretical solutions. We also simulate the electrostatic structure and capacity densities between charged parallel plates in salt solutions with different salt concentrations. Moreover, we employ the proposed methodology to study the electro-osmotic and electro-osmotic/pressure-driven flows in a micro-channel. In the latter case, we simulate the dilute poly-electrolyte solution drifting by electro-osmotic flow in a micro-channel, hence demonstrating the flexibility and capability of this method in studying complex fluids with electrostatic interactions at the micro- and nano-scales.
Haber, S; Filipovic, N; Kojic, M; Tsuda, A
2006-10-01
The dissipative particle dynamics (DPD) method was used to simulate the flow in a system comprised of a fluid occupying the space between two cylinders rotating with equal angular velocities. The fluid, initially at rest, ultimately reaches a steady, linear velocity distribution (a rigid-body rotation). Since the induced flow field is solely associated with the no-slip boundary condition at the walls, we employed this system as a benchmark to examine the effect of bounce-back reflections, specular reflections, and Pivkin-Karniadakis no-slip boundary conditions, upon the steady-state velocity, density, and temperature distributions. An additional advantage of the foregoing system is that the fluid occupies inherently a finite bounded domain so that the results are affected by the prescribed no-slip boundary conditions only. Past benchmark systems such as Couette flow between two infinite parallel plates or Poiseuille flow in an infinitely long cylinder must employ artificial periodic boundary conditions at arbitrary upstream and downstream locations, a possible source of spurious effects. In addition, the effect of the foregoing boundary conditions on the time evolution of the simulated velocity profile was compared with that of the known, time-dependent analytical solution. It was shown that bounce-back reflection yields the best results for the velocity distributions with small fluctuations in density and temperature at the inner fluid domain and larger deviations near the walls. For the unsteady solutions a good fit is obtained if the DPD friction coefficient is proportional to the kinematic viscosity. Based on dimensional analysis and the numerical results a universal correlation is suggested between the friction coefficient and the kinematic viscosity.
NASA Astrophysics Data System (ADS)
Zhao, Tongyang; Wang, Xiaogong
2013-09-01
In this study, dissipative particle dynamics (DPD) method was employed to investigate the translational diffusion of rodlike polymer in its nematic phase. The polymer chain was modeled by a rigid rod composed of consecutive DPD particles and solvent was represented by independent DPD particles. To fully understand the translational motion of the rods in the anisotropic phase, four diffusion coefficients, D_{||}u, D_ bot u, D_{||}n, D_ bot n were obtained from the DPD simulation. By definition, D_{||}n and D_ bot n denote the diffusion coefficients parallel and perpendicular to the nematic director, while D_{||}u and D_ bot u denote the diffusion coefficients parallel and perpendicular to the long axis of a rigid rod u. In the simulation, the velocity auto-correlation functions were used to calculate the corresponding diffusion coefficients from the simulated velocity of the rods. Simulation results show that the variation of orientational order caused by concentration and temperature changes has substantial influences on D_{||}u and D_ bot u. In the nematic phase, the changes of concentration and temperature will result in a change of local environment of rods, which directly influence D_{||}u and D_ bot u. Both D_{||}n and D_ bot n can be represented as averages of D_{||}u and D_ bot u, and the weighted factors are functions of the orientational order parameter S2. The effect of concentration and temperature on D_{||}n and D_ bot n demonstrated by the DPD simulation can be rationally interpreted by considering their influences on D_{||}u, D_ bot u and the order parameter S2.
Dynamics of open bosonic quantum systems in coherent state representation
Dalvit, D. A. R.; Berman, G. P.; Vishik, M.
2006-01-15
We consider the problem of decoherence and relaxation of open bosonic quantum systems from a perspective alternative to the standard master equation or quantum trajectories approaches. Our method is based on the dynamics of expectation values of observables evaluated in a coherent state representation. We examine a model of a quantum nonlinear oscillator with a density-density interaction with a collection of environmental oscillators at finite temperature. We derive the exact solution for dynamics of observables and demonstrate a consistent perturbation approach.
Dynamics of Quantum Matter with Long-Range Entanglement
2013-06-07
REPORT Final Report: Dynamics of quantum matter with long-range entanglement. 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: Recent experiments on...ultracold atoms in optical lattices have opened a remarkable new window on the dynamics of quantum matter with long-range entanglement. The simplest...paradigm of this is the boson superfluid-insulator quantum phase transition in two spatial dimensions. This project will study the theoretical
Dynamics of quantum vorticity in a random potential.
Link, Bennett
2009-04-03
I study the dynamics of a superfluid vortex in a random potential, as in the inner crust of a neutron star. Below a critical flow velocity of the ambient superfluid, a vortex is effectively immobilized by lattice forces even in the limit of zero dissipation. Low-velocity, translatory motion is not dynamically possible, a result with important implications for understanding neutron star precession and the dynamical properties of superfluid nuclear matter.
De Sitter Space Without Dynamical Quantum Fluctuations
NASA Astrophysics Data System (ADS)
Boddy, Kimberly K.; Carroll, Sean M.; Pollack, Jason
2016-06-01
We argue that, under certain plausible assumptions, de Sitter space settles into a quiescent vacuum in which there are no dynamical quantum fluctuations. Such fluctuations require either an evolving microstate, or time-dependent histories of out-of-equilibrium recording devices, which we argue are absent in stationary states. For a massive scalar field in a fixed de Sitter background, the cosmic no-hair theorem implies that the state of the patch approaches the vacuum, where there are no fluctuations. We argue that an analogous conclusion holds whenever a patch of de Sitter is embedded in a larger theory with an infinite-dimensional Hilbert space, including semiclassical quantum gravity with false vacua or complementarity in theories with at least one Minkowski vacuum. This reasoning provides an escape from the Boltzmann brain problem in such theories. It also implies that vacuum states do not uptunnel to higher-energy vacua and that perturbations do not decohere while slow-roll inflation occurs, suggesting that eternal inflation is much less common than often supposed. On the other hand, if a de Sitter patch is a closed system with a finite-dimensional Hilbert space, there will be Poincaré recurrences and dynamical Boltzmann fluctuations into lower-entropy states. Our analysis does not alter the conventional understanding of the origin of density fluctuations from primordial inflation, since reheating naturally generates a high-entropy environment and leads to decoherence, nor does it affect the existence of non-dynamical vacuum fluctuations such as those that give rise to the Casimir effect.
Geometric reduction of dynamical nonlocality in nanoscale quantum circuits
NASA Astrophysics Data System (ADS)
Strambini, E.; Makarenko, K. S.; Abulizi, G.; de Jong, M. P.; van der Wiel, W. G.
2016-01-01
Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young’s double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing.
Geometric reduction of dynamical nonlocality in nanoscale quantum circuits.
Strambini, E; Makarenko, K S; Abulizi, G; de Jong, M P; van der Wiel, W G
2016-01-06
Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young's double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing.
Geometric reduction of dynamical nonlocality in nanoscale quantum circuits
Strambini, E.; Makarenko, K. S.; Abulizi, G.; de Jong, M. P.; van der Wiel, W. G.
2016-01-01
Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young’s double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing. PMID:26732751
Exponential rise of dynamical complexity in quantum computing through projections.
Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya
2014-10-10
The ability of quantum systems to host exponentially complex dynamics has the potential to revolutionize science and technology. Therefore, much effort has been devoted to developing of protocols for computation, communication and metrology, which exploit this scaling, despite formidable technical difficulties. Here we show that the mere frequent observation of a small part of a quantum system can turn its dynamics from a very simple one into an exponentially complex one, capable of universal quantum computation. After discussing examples, we go on to show that this effect is generally to be expected: almost any quantum dynamics becomes universal once 'observed' as outlined above. Conversely, we show that any complex quantum dynamics can be 'purified' into a simpler one in larger dimensions. We conclude by demonstrating that even local noise can lead to an exponentially complex dynamics.
Exponential rise of dynamical complexity in quantum computing through projections
Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya
2014-01-01
The ability of quantum systems to host exponentially complex dynamics has the potential to revolutionize science and technology. Therefore, much effort has been devoted to developing of protocols for computation, communication and metrology, which exploit this scaling, despite formidable technical difficulties. Here we show that the mere frequent observation of a small part of a quantum system can turn its dynamics from a very simple one into an exponentially complex one, capable of universal quantum computation. After discussing examples, we go on to show that this effect is generally to be expected: almost any quantum dynamics becomes universal once ‘observed’ as outlined above. Conversely, we show that any complex quantum dynamics can be ‘purified’ into a simpler one in larger dimensions. We conclude by demonstrating that even local noise can lead to an exponentially complex dynamics. PMID:25300692
Passler, Peter P; Hofer, Thomas S
2017-02-15
Stochastic dynamics is a widely employed strategy to achieve local thermostatization in molecular dynamics simulation studies; however, it suffers from an inherent violation of momentum conservation. Although this short-coming has little impact on structural and short-time dynamic properties, it can be shown that dynamics in the long-time limit such as diffusion is strongly dependent on the respective thermostat setting. Application of the methodically similar dissipative particle dynamics (DPD) provides a simple, effective strategy to ensure the advantages of local, stochastic thermostatization while at the same time the linear momentum of the system remains conserved. In this work, the key parameters to employ the DPD thermostats in the framework of periodic boundary conditions are investigated, in particular the dependence of the system properties on the size of the DPD-region as well as the treatment of forces near the cutoff. Structural and dynamical data for light and heavy water as well as a Lennard-Jones fluid have been compared to simulations executed via stochastic dynamics as well as via use of the widely employed Nose-Hoover chain and Berendsen thermostats. It is demonstrated that a small size of the DPD region is sufficient to achieve local thermalization, while at the same time artifacts in the self-diffusion characteristic for stochastic dynamics are eliminated. © 2016 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Wen, W. B.; Duan, S. Y.; Yan, J.; Ma, Y. B.; Wei, K.; Fang, D. N.
2017-03-01
An explicit time integration scheme based on quartic B-splines is presented for solving linear structural dynamics problems. The scheme is of a one-parameter family of schemes where free algorithmic parameter controls stability, accuracy and numerical dispersion. The proposed scheme possesses at least second-order accuracy and at most third-order accuracy. A 2D wave problem is analyzed to demonstrate the effectiveness of the proposed scheme in reducing high-frequency modes and retaining low-frequency modes. Except for general structural dynamics, the proposed scheme can be used effectively for wave propagation problems in which numerical dissipation is needed to reduce spurious oscillations.
Quantum molecular dynamics simulations of dense matter
Collins, L.; Kress, J.; Troullier, N.; Lenosky, T.; Kwon, I.
1997-12-31
The authors have developed a quantum molecular dynamics (QMD) simulation method for investigating the properties of dense matter in a variety of environments. The technique treats a periodically-replicated reference cell containing N atoms in which the nuclei move according to the classical equations-of-motion. The interatomic forces are generated from the quantum mechanical interactions of the (between?) electrons and nuclei. To generate these forces, the authors employ several methods of varying sophistication from the tight-binding (TB) to elaborate density functional (DF) schemes. In the latter case, lengthy simulations on the order of 200 atoms are routinely performed, while for the TB, which requires no self-consistency, upwards to 1000 atoms are systematically treated. The QMD method has been applied to a variety cases: (1) fluid/plasma Hydrogen from liquid density to 20 times volume-compressed for temperatures of a thousand to a million degrees Kelvin; (2) isotopic hydrogenic mixtures, (3) liquid metals (Li, Na, K); (4) impurities such as Argon in dense hydrogen plasmas; and (5) metal/insulator transitions in rare gas systems (Ar,Kr) under high compressions. The advent of parallel versions of the methods, especially for fast eigensolvers, presage LDA simulations in the range of 500--1000 atoms and TB runs for tens of thousands of particles. This leap should allow treatment of shock chemistry as well as large-scale mixtures of species in highly transient environments.
Strong Analog Classical Simulation of Coherent Quantum Dynamics
NASA Astrophysics Data System (ADS)
Wang, Dong-Sheng
2017-02-01
A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational technique of quantum tomography, which applies broadly to cases of mixed states, nonunitary evolution, and infinite dimensional systems. The simulation provides an intriguing classical picture to probe quantum phenomena, namely, a coherent quantum dynamics can be viewed as a globally constrained classical Hamiltonian dynamics of a collection of coupled particles or strings. Efficiency analysis reveals a fundamental difference between the locality in real space and locality in Hilbert space, the latter enables efficient strong analog classical simulations. Examples are also studied to highlight the differences and gaps among various simulation methods. Funding support from NSERC of Canada and a research fellowship at Department of Physics and Astronomy, University of British Columbia are acknowledged
New methods for quantum mechanical reaction dynamics
Thompson, Ward Hugh
1996-12-01
Quantum mechanical methods are developed to describe the dynamics of bimolecular chemical reactions. We focus on developing approaches for directly calculating the desired quantity of interest. Methods for the calculation of single matrix elements of the scattering matrix (S-matrix) and initial state-selected reaction probabilities are presented. This is accomplished by the use of absorbing boundary conditions (ABC) to obtain a localized (L^{2}) representation of the outgoing wave scattering Green`s function. This approach enables the efficient calculation of only a single column of the S-matrix with a proportionate savings in effort over the calculation of the entire S-matrix. Applying this method to the calculation of the initial (or final) state-selected reaction probability, a more averaged quantity, requires even less effort than the state-to-state S-matrix elements. It is shown how the same representation of the Green`s function can be effectively applied to the calculation of negative ion photodetachment intensities. Photodetachment spectroscopy of the anion ABC^{-} can be a very useful method for obtaining detailed information about the neutral ABC potential energy surface, particularly if the ABC^{-} geometry is similar to the transition state of the neutral ABC. Total and arrangement-selected photodetachment spectra are calculated for the H_{3}O^{-} system, providing information about the potential energy surface for the OH + H_{2} reaction when compared with experimental results. Finally, we present methods for the direct calculation of the thermal rate constant from the flux-position and flux-flux correlation functions. The spirit of transition state theory is invoked by concentrating on the short time dynamics in the area around the transition state that determine reactivity. These methods are made efficient by evaluating the required quantum mechanical trace in the basis of eigenstates of the
Dynamical properties of breaking waves: dissipation, air entrainment and spray generation
NASA Astrophysics Data System (ADS)
Deike, Luc; Melville, W. Kendall; Popinet, Stephane
2016-11-01
Wave breaking in the ocean is of fundamental importance in order to quantify wave dissipation and air-sea interaction, including gas and momentum exchange, and to improve parametrization for ocean-atmosphere exchange in weather and climate models. Here, we present 2D and 3D direct numerical simulations of breaking waves, compared with laboratory measurements. The dissipation due to breaking in the 2D and 3D simulations is found to be in good agreement with experimental observations and inertial-scaling arguments. We discuss the transition from a 2D to a 3D flow during breaking. We present a model for air entrainment and bubble statistics that describes well the experimental and numerical data, and is based on turbulent fragmentation of the bubbles and a balance between buoyancy forces and viscous dissipation. Finally we discuss the generation of large drops during the impact and splashing process.
Intermittency, nonlinear dynamics and dissipation in the solar wind and astrophysical plasmas
Matthaeus, W. H.; Wan, Minping; Servidio, S.; Greco, A.; Osman, K. T.; Oughton, S.; Dmitruk, P.
2015-01-01
An overview is given of important properties of spatial and temporal intermittency, including evidence of its appearance in fluids, magnetofluids and plasmas, and its implications for understanding of heliospheric plasmas. Spatial intermittency is generally associated with formation of sharp gradients and coherent structures. The basic physics of structure generation is ideal, but when dissipation is present it is usually concentrated in regions of strong gradients. This essential feature of spatial intermittency in fluids has been shown recently to carry over to the realm of kinetic plasma, where the dissipation function is not known from first principles. Spatial structures produced in intermittent plasma influence dissipation, heating, and transport and acceleration of charged particles. Temporal intermittency can give rise to very long time correlations or a delayed approach to steady-state conditions, and has been associated with inverse cascade or quasi-inverse cascade systems, with possible implications for heliospheric prediction. PMID:25848085
Residue and dissipation dynamics of lufenuron in tomato fruit using QuEChERS methodology.
Malhat, Farag; Almaz, Moniur; Arief, Mohamed; El-Din, Kamal; Fathy, Mohamed
2012-11-01
One field experiment was conducted with lufenuron (Match(®) 5% EC) on tomato crop during August 2011. The main objective was to understand the residue and dissipation behavior of insecticide lufenuron in tomato fruit samples. The dissipation behavior of lufenuron insecticide followed first-order rate kinetics at standard recommended dose application. The average initial deposit of lufenuron in tomato was observed to be 1.299 mg kg(-1)at single application rate. This lufenuron residue dissipated to bellow LOQ of 0.03 mg kg(-1) 21 days after the treatment. Lufenuron residues were lost with pre-harvest intervals of 7 days, following application at the recommended dose by manufacture.
Intermittency, nonlinear dynamics and dissipation in the solar wind and astrophysical plasmas.
Matthaeus, W H; Wan, Minping; Servidio, S; Greco, A; Osman, K T; Oughton, S; Dmitruk, P
2015-05-13
An overview is given of important properties of spatial and temporal intermittency, including evidence of its appearance in fluids, magnetofluids and plasmas, and its implications for understanding of heliospheric plasmas. Spatial intermittency is generally associated with formation of sharp gradients and coherent structures. The basic physics of structure generation is ideal, but when dissipation is present it is usually concentrated in regions of strong gradients. This essential feature of spatial intermittency in fluids has been shown recently to carry over to the realm of kinetic plasma, where the dissipation function is not known from first principles. Spatial structures produced in intermittent plasma influence dissipation, heating, and transport and acceleration of charged particles. Temporal intermittency can give rise to very long time correlations or a delayed approach to steady-state conditions, and has been associated with inverse cascade or quasi-inverse cascade systems, with possible implications for heliospheric prediction.
NASA Astrophysics Data System (ADS)
Ludwig, Thomas; Doreille, Mathias; Merazzi, Silvio; Vescovini, Riccardo; Bisagni, Chiara
2015-10-01
This paper presents a methodology for predicting the damped response and energy dissipation of laminated composite structures, subjected to dynamic loads. Starting from simple coupon tests to characterize the material, the numerical simulation of damping properties is made possible by a novel linear viscoelastic model that has been developed and implemented in the finite element code B2000++. A nonlinear optimization procedure is adopted to fit experimental data and define the exponential Maxwell parameter model. To illustrate the potentialities of the method, the post-buckling analysis of a relatively complex aeronautical panel is presented, accounting not only for geometric nonlinearities, but also for viscoelastic effects. The results illustrate the effects due to material dissipation, their relation to the effects of inertia, and the influence of geometric imperfections on the response of the panel.
A smooth dissipative particle dynamics method for domains with arbitrary-geometry solid boundaries
NASA Astrophysics Data System (ADS)
Gatsonis, Nikolaos A.; Potami, Raffaele; Yang, Jun
2014-01-01
A smooth dissipative particle dynamics method with dynamic virtual particle allocation (SDPD-DV) for modeling and simulation of mesoscopic fluids in wall-bounded domains is presented. The physical domain in SDPD-DV may contain external and internal solid boundaries of arbitrary geometries, periodic inlets and outlets, and the fluid region. The SDPD-DV method is realized with fluid particles, boundary particles, and dynamically allocated virtual particles. The internal or external solid boundaries of the domain can be of arbitrary geometry and are discretized with a surface grid. These boundaries are represented by boundary particles with assigned properties. The fluid domain is discretized with fluid particles of constant mass and variable volume. Conservative and dissipative force models due to virtual particles exerted on a fluid particle in the proximity of a solid boundary supplement the original SDPD formulation. The dynamic virtual particle allocation approach provides the density and the forces due to virtual particles. The integration of the SDPD equations is accomplished with a velocity-Verlet algorithm for the momentum and a Runge-Kutta for the entropy equation. The velocity integrator is supplemented by a bounce-forward algorithm in cases where the virtual particle force model is not able to prevent particle penetration. For the incompressible isothermal systems considered in this work, the pressure of a fluid particle is obtained by an artificial compressibility formulation for liquids and the ideal gas law for gases. The self-diffusion coefficient is obtained by an implementation of the generalized Einstein and the Green-Kubo relations. Field properties are obtained by sampling SDPD-DV outputs on a post-processing grid that allows harnessing the particle information on desired spatiotemporal scales. The SDPD-DV method is verified and validated with simulations in bounded and periodic domains that cover the hydrodynamic and mesoscopic regimes for
Intense Laser Alignment in Dissipative Media as a Route to Solvent Dynamics
Ramakrishna, S.; Seideman, Tamar
2005-09-09
We extend the concept of alignment by short intense pulses to dissipative environments within a density matrix formalism and illustrate the application of this method as a probe of the dissipative properties of dense media. In particular, we propose a means of disentangling rotational population relaxation from decoherence effects via strong laser alignment. We illustrate also the possibility of suppressing rotational relaxation to prolong the alignment lifetime through choice of the field parameters. Implications to several disciplines and a number of potential applications are proposed.
Protected quantum computing: interleaving gate operations with dynamical decoupling sequences.
Zhang, Jingfu; Souza, Alexandre M; Brandao, Frederico Dias; Suter, Dieter
2014-02-07
Implementing precise operations on quantum systems is one of the biggest challenges for building quantum devices in a noisy environment. Dynamical decoupling attenuates the destructive effect of the environmental noise, but so far, it has been used primarily in the context of quantum memories. Here, we experimentally demonstrate a general scheme for combining dynamical decoupling with quantum logical gate operations using the example of an electron-spin qubit of a single nitrogen-vacancy center in diamond. We achieve process fidelities >98% for gate times that are 2 orders of magnitude longer than the unprotected dephasing time T2.
Efficient Quantum Private Communication Based on Dynamic Control Code Sequence
NASA Astrophysics Data System (ADS)
Cao, Zheng-Wen; Feng, Xiao-Yi; Peng, Jin-Ye; Zeng, Gui-Hua; Qi, Jin
2017-04-01
Based on chaos and quantum properties, we propose a quantum private communication scheme with dynamic control code sequence. The initial sequence is obtained via chaotic systems, and the control code sequence is derived by grouping, XOR and extracting. A shift cycle algorithm is designed to enable the dynamic change of control code sequence. Analysis shows that transmission efficiency could reach 100 % with high dynamics and security.
Efficient Quantum Private Communication Based on Dynamic Control Code Sequence
NASA Astrophysics Data System (ADS)
Cao, Zheng-Wen; Feng, Xiao-Yi; Peng, Jin-Ye; Zeng, Gui-Hua; Qi, Jin
2016-12-01
Based on chaos and quantum properties, we propose a quantum private communication scheme with dynamic control code sequence. The initial sequence is obtained via chaotic systems, and the control code sequence is derived by grouping, XOR and extracting. A shift cycle algorithm is designed to enable the dynamic change of control code sequence. Analysis shows that transmission efficiency could reach 100 % with high dynamics and security.
NASA Astrophysics Data System (ADS)
Vershynina, Anna
This dissertation discusses the properties of two open quantum systems with a general class of irreversible quantum dynamics. First we study Lieb-Robinson bounds in a quantum lattice systems. This bound gives an estimate for the speed of growth of the support of an evolved local observable up to an exponentially small error. In a second model we study the properties of a leaking cavity pumped by a random atomic beam. We begin by describing quantum systems on an infinite lattice with associated finite or infinite dimensional Hilbert space. The generator of the dynamics of this system is of the Lindblad-Kossakowski type and consists of two parts: the Hamiltonian interactions and the dissipative terms. We allow both of them to be time-dependent. This generator satisfies some suitable decay condition in space. We show that the dynamics with a such generator on a finite system is a well-defined quantum dynamics in a sense of a norm-continuous cocycle of unit preserving completely positive maps. Lieb-Robinson bounds for irreversible dynamics were first considered in the classical context and in for a class of quantum lattice systems with finite-range interactions. We extend those results by proving a Lieb-Robinson bound for lattice models with a more general class of quantum dynamics. Then we use Lieb-Robinson bounds for a finite lattice systems to prove the existence of the thermodynamic limit of the dynamics. We show that in a strong limit there exits a strongly continuous cocycle of unit preserving completely positive maps. Which means that the dynamics exists in an infinite system, where Lieb-Robinson bounds also holds. In the second part of the dissertation we consider a system that consists of a beam of two-level atoms that pass one by one through the microwave cavity. The atoms are randomly excited and there is exactly one atom present in the cavity at any given moment. We consider both the ideal and leaky cavity and study the time asymptotic behavior of the state
Dissipative particle dynamics simulations of polymer-protected nanoparticle self-assembly
NASA Astrophysics Data System (ADS)
Spaeth, Justin R.; Kevrekidis, Ioannis G.; Panagiotopoulos, Athanassios Z.
2011-11-01
Dissipative particle dynamics simulations were used to study the effects of mixing time, solute solubility, solute and diblock copolymer concentrations, and copolymer block length on the rapid coprecipitation of polymer-protected nanoparticles. The simulations were aimed at modeling Flash NanoPrecipitation, a process in which hydrophobic solutes and amphiphilic block copolymers are dissolved in a water-miscible organic solvent and then rapidly mixed with water to produce composite nanoparticles. A previously developed model by Spaeth et al. [J. Chem. Phys. 134, 164902 (2011)], 10.1063/1.3580293 was used. The model was parameterized to reproduce equilibrium and transport properties of the solvent, hydrophobic solute, and diblock copolymer. Anti-solvent mixing was modeled using time-dependent solvent-solute and solvent-copolymer interactions. We find that particle size increases with mixing time, due to the difference in solute and polymer solubilities. Increasing the solubility of the solute leads to larger nanoparticles for unfavorable solute-polymer interactions and to smaller nanoparticles for favorable solute-polymer interactions. A decrease in overall solute and polymer concentration produces smaller nanoparticles, because the difference in the diffusion coefficients of a single polymer and of larger clusters becomes more important to their relative rates of collisions under more dilute conditions. An increase in the solute-polymer ratio produces larger nanoparticles, since a collection of large particles has less surface area than a collection of small particles with the same total volume. An increase in the hydrophilic block length of the polymer leads to smaller nanoparticles, due to an enhanced ability of each polymer to shield the nanoparticle core. For unfavorable solute-polymer interactions, the nanoparticle size increases with hydrophobic block length. However, for favorable solute-polymer interactions, nanoparticle size exhibits a local minimum with
Power laws in the dynamic hysteresis of quantum nonlinear photonic resonators
NASA Astrophysics Data System (ADS)
Casteels, W.; Storme, F.; Le Boité, A.; Ciuti, C.
2016-03-01
We explore theoretically the physics of dynamic hysteresis for driven-dissipative nonlinear photonic resonators. In the regime where the semiclassical mean-field theory predicts bistability, the exact steady-state density matrix is known to be unique, being a statistical mixture of two states; in particular, no static hysteresis cycle of the excited population occurs as a function of the driving intensity. Here, we predict that in the quantum regime a dynamic hysteresis with a rich phenomenology does appear when sweeping the driving amplitude in a finite time. The hysteresis area as a function of the sweep time reveals a double power-law decay, with a behavior qualitatively different from the mean-field predictions. The dynamic hysteresis power-law in the slow sweep limit defines a characteristic time, which depends dramatically on the size of the nonlinearity and on the frequency detuning between the driving and the resonator. In the strong nonlinearity regime, the characteristic time oscillates as a function of the intrinsic system parameters due to multiphotonic resonances. We show that the dynamic hysteresis for the considered class of driven-dissipative systems is due to a nonadiabatic response region with connections to the Kibble-Zurek mechanism for quenched phase transitions. We also consider the case of two coupled driven-dissipative nonlinear resonators, showing that dynamic hysteresis and power-law behavior occur also in the presence of correlations between resonators. Our theoretical predictions can be explored in a broad variety of physical systems, e.g., circuit QED superconducting resonators and semiconductor optical microcavities.
Dynamics and conductivity near quantum criticality
NASA Astrophysics Data System (ADS)
Gazit, Snir; Podolsky, Daniel; Auerbach, Assa; Arovas, Daniel P.
2013-12-01
Relativistic O(N) field theories are studied near the quantum-critical point in two space dimensions. We compute dynamical correlations by large-scale Monte Carlo simulations and numerical analytic continuation. In the ordered side, the scalar spectral function exhibits a universal peak at the Higgs mass. For N=3 and 4, we confirm its ω3 rise at low frequency. On the disordered side, the spectral function exhibits a sharp gap. For N=2, the dynamical conductivity rises above a threshold at the Higgs mass (density gap), in the superfluid (Mott insulator) phase. For charged bosons (Josephson arrays), the power-law rise above the Higgs mass increases from two to four. Approximate charge-vortex duality is reflected in the ratio of imaginary conductivities on either side of the transition. We determine the critical conductivity to be σc*=0.3(±0.1)×4e2/h and describe a generalization of the worm algorithm to N>2. We use a singular value decomposition error analysis for the numerical analytic continuation.
Sumner, Isaiah; Iyengar, Srinivasan S
2007-10-18
We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.
Quantum dynamics of Lorentzian spacetime foam
NASA Astrophysics Data System (ADS)
Redmount, Ian H.; Suen, Wai-Mo
1994-05-01
A simple spacetime wormhole, which evolves classically from zero throat radius to a maximum value and recontracts, can be regarded as one possible mode of fluctuation in the microscopic ``spacetime foam'' first suggested by Wheeler. The dynamics of a particularly simple version of such a wormhole can be reduced to that of a single quantity, its throat radius; this wormhole thus provides a ``minisuperspace model'' for a mode of Lorentzian-signature foam. The classical equation of motion for the wormhole throat is obtained from the Einstein field equations and a suitable equation of state for the matter at the throat. Analysis of the quantum behavior of the hole then proceeds from an action corresponding to that equation of motion. The action obtained simply by calculating the scalar curvature of the hole spacetime yields a model with features like those of the relativistic free particle. In particular the Hamiltonian is nonlocal, and for the wormhole cannot even be given as a differential operator in closed form. Nonetheless the general solution of the Schrödinger equation for wormhole wave functions, i.e., the wave-function propagator, can be expressed as a path integral. Too complicated to perform exactly, this can yet be evaluated via a WKB approximation. The result indicates that the wormhole, classically stable, is quantum-mechanically unstable: A Feynman-Kac decomposition of the WKB propagator yields no spectrum of bound states. Although an initially localized wormhole wave function may oscillate for many classical expansion and recontraction periods, it must eventually leak to large radius values. The possibility of such a mode unstable against growth, combined with the observed absence of macroscopic wormholes, suggests that stability considerations may place constraints on the nature or even the existence of Planck-scale foamlike structure, at least of Lorentzian signature.
Non-Markovian dynamics of an open quantum system with nonstationary coupling
Kalandarov, S. A.; Adamian, G. G.; Kanokov, Z.; Antonenko, N. V.; Scheid, W.
2011-04-15
The spectral, dissipative, and statistical properties of the damped quantum oscillator are studied in the case of non-Markovian and nonstationary system-heat bath coupling. The dissipation of collective energy is shown to be slowed down, and the decoherence rate and entropy grow with modulation frequency.
Combining Dynamical Decoupling with Fault-Tolerant Quantum Computation
2009-11-17
ar X iv :0 91 1. 32 02 v1 [ qu an t- ph ] 1 7 N ov 2 00 9 Combining dynamical decoupling with fault-tolerant quantum computation Hui Khoon Ng,1...Daniel A. Lidar,2 and John Preskill1 1Institute for Quantum Information, California Institute of Technology, Pasadena, CA 91125, USA 2Departments...of Chemistry, Electrical Engineering, and Physics, and Center for Quantum Information Science & Technology, University of Southern California, Los
Post-Markovian dynamics of quantum correlations: entanglement versus discord
NASA Astrophysics Data System (ADS)
Mohammadi, Hamidreza
2017-02-01
Dynamics of an open two-qubit system is investigated in the post-Markovian regime, where the environments have a short-term memory. Each qubit is coupled to separate environment which is held in its own temperature. The inter-qubit interaction is modeled by XY-Heisenberg model in the presence of spin-orbit interaction and inhomogeneous magnetic field. The dynamical behavior of entanglement and discord has been considered. The results show that quantum discord is more robust than quantum entanglement, during the evolution. Also the asymmetric feature of quantum discord can be monitored by introducing the asymmetries due to inhomogeneity of magnetic field and temperature difference between the reservoirs. By employing proper parameters of the model, it is possible to maintain nonvanishing quantum correlation at high degree of temperature. The results can provide a useful recipe for studying dynamical behavior of two-qubit systems such as trapped spin electrons in coupled quantum dots.
Quantum and classical dynamics in adiabatic computation
NASA Astrophysics Data System (ADS)
Crowley, P. J. D.; Äńurić, T.; Vinci, W.; Warburton, P. A.; Green, A. G.
2014-10-01
Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialized state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible. Moreover, a judicious choice of final Hamiltonian whose ground state encodes the solution to a problem allows adiabatic transport to be used for universal quantum computation. However, the dephasing effects of the environment limit the quantum correlations that an open system can support and degrade the power of such adiabatic computation. We quantify this effect by allowing the system to evolve over a restricted set of quantum states, providing a link between physically inspired classical optimization algorithms and quantum adiabatic optimization. This perspective allows us to develop benchmarks to bound the quantum correlations harnessed by an adiabatic computation. We apply these to the D-Wave Vesuvius machine with revealing—though inconclusive—results.
Luo, Zhi-Chao; Cao, Wen-Jun; Lin, Zhen-Bin; Cai, Ze-Rong; Luo, Ai-Ping; Xu, Wen-Cheng
2012-11-15
The pulse dynamics operating in dissipative soliton resonance (DSR) region is experimentally investigated in a fiber ring laser. With the increase of pump power, the pulse profile transit from sech-like to rectangular shape was observed. The generated pulse in DSR region exhibits the conventional soliton spectrum with sideband generation. The duration-tuning range of the rectangular pulse is up to the cavity roundtrip time. Particularly, during the process of pulse duration broadening it was found that the rectangular pulse would trap a weak pulse generated from cw background. The obtained results may be useful for better understanding the DSR phenomenon.
Nemirovskii, Sergey K.; Sonin, E. B.
2007-12-01
We analyze the dynamics of three-dimensional (3D) coreless vortices in superfluid films covering porous substrates. The 3D vortex dynamics is derived from the two-dimensional (2D) dynamics of the film. The motion of a 3D vortex is a sequence of jumps between neighboring substrate cells, which can be described, nevertheless, in terms of quasicontinuous motion with average vortex velocity. The vortex velocity is derived from the dissociation rate of vortex-antivortex pairs in a 2D film, which was developed in the past on the basis of the Kosterlitz-Thouless theory. The theory explains the rotation-induced dissipation peak in torsion-oscillator experiments on {sup 4}He films on rotating porous substrates and can be used in the analysis of other phenomena related to vortex motion in films on porous substrates.
Density fluctuation dynamics in a dissipative self-gravitating dilute gas revisited
NASA Astrophysics Data System (ADS)
Méndez, A. R.; García-Perciante, A. L.
2016-11-01
The analysis of the behavior of density fluctuations in a dissipative self gravitating gas in the linear regime is revisited. A factorization for the dispersion relation given by approximate roots is proposed, which is analogous to the one introduced in the case without gravitational field. The threshold for the onset of a gravitational instability, namely Jeans wavenumber, is found to be unaltered by the presence of thermal and viscous dissipation. However, the behavior of damped modes does not correspond to the usual Rayleigh-Brillouin spectrum when the gravitational field is taken into account. Additional to the usual central Rayleigh peak and Brillouin doublet, both corrected due to the presence of the field, non-Lorentizan terms are included in the structure factor. These terms are larger in the presence of the gravitational field and may lead in principle to relevant differences in the general properties of the spectrum. The possible mathematical origin of these modifications is briefly discussed.
Xavier, J C; Strunz, W T; Beims, M W
2015-08-01
We consider the energy flow between a classical one-dimensional harmonic oscillator and a set of N two-dimensional chaotic oscillators, which represents the finite environment. Using linear response theory we obtain an analytical effective equation for the system harmonic oscillator, which includes a frequency dependent dissipation, a shift, and memory effects. The damping rate is expressed in terms of the environment mean Lyapunov exponent. A good agreement is shown by comparing theoretical and numerical results, even for environments with mixed (regular and chaotic) motion. Resonance between system and environment frequencies is shown to be more efficient to generate dissipation than larger mean Lyapunov exponents or a larger number of bath chaotic oscillators.
Generalized dynamic scaling for quantum critical relaxation in imaginary time.
Zhang, Shuyi; Yin, Shuai; Zhong, Fan
2014-10-01
We study the imaginary-time relaxation critical dynamics of a quantum system with a vanishing initial correlation length and an arbitrary initial order parameter M0. We find that in quantum critical dynamics, the behavior of M0 under scale transformations deviates from a simple power law, which was proposed for very small M0 previously. A universal characteristic function is then suggested to describe the rescaled initial magnetization, similar to classical critical dynamics. This characteristic function is shown to be able to describe the quantum critical dynamics in both short- and long-time stages of the evolution. The one-dimensional transverse-field Ising model is employed to numerically determine the specific form of the characteristic function. We demonstrate that it is applicable as long as the system is in the vicinity of the quantum critical point. The universality of the characteristic function is confirmed by numerical simulations of models belonging to the same universality class.
NASA Astrophysics Data System (ADS)
Tang, Yu-Hang; Karniadakis, George Em
2014-11-01
We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. The correctness and accuracy of the code is verified through a set of test cases simulating Poiseuille flow and spontaneous vesicle formation. Computer benchmarks demonstrate the speedup of our implementation over the CPU implementation as well as strong and weak scalability. A large-scale simulation of spontaneous vesicle formation consisting of 128 million particles was conducted to further illustrate the practicality of our code in real-world applications. Catalogue identifier: AETN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETN_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 1 602 716 No. of bytes in distributed program, including test data, etc.: 26 489 166 Distribution format: tar.gz Programming language: C/C++, CUDA C/C++, MPI. Computer: Any computers having nVidia GPGPUs with compute capability 3.0. Operating system: Linux. Has the code been
Effective quantum dynamics of interacting systems with inhomogeneous coupling
Lopez, C. E.; Retamal, J. C.; Christ, H.; Solano, E.
2007-03-15
We study the quantum dynamics of a single mode (particle) interacting inhomogeneously with a large number of particles and introduce an effective approach to find the accessible Hilbert space, where the dynamics takes place. Two relevant examples are given: the inhomogeneous Tavis-Cummings model (e.g., N atomic qubits coupled to a single cavity mode, or to a motional mode in trapped ions) and the inhomogeneous coupling of an electron spin to N nuclear spins in a quantum dot.
Quantum walk coherences on a dynamical percolation graph
Elster, Fabian; Barkhofen, Sonja; Nitsche, Thomas; Novotný, Jaroslav; Gábris, Aurél; Jex, Igor; Silberhorn, Christine
2015-01-01
Coherent evolution governs the behaviour of all quantum systems, but in nature it is often subjected to influence of a classical environment. For analysing quantum transport phenomena quantum walks emerge as suitable model systems. In particular, quantum walks on percolation structures constitute an attractive platform for studying open system dynamics of random media. Here, we present an implementation of quantum walks differing from the previous experiments by achieving dynamical control of the underlying graph structure. We demonstrate the evolution of an optical time-multiplexed quantum walk over six double steps, revealing the intricate interplay between the internal and external degrees of freedom. The observation of clear non-Markovian signatures in the coin space testifies the high coherence of the implementation and the extraordinary degree of control of all system parameters. Our work is the proof-of-principle experiment of a quantum walk on a dynamical percolation graph, paving the way towards complex simulation of quantum transport in random media. PMID:26311434
Dynamic Quantum Tomography Model for Phase-Damping Channels
NASA Astrophysics Data System (ADS)
Czerwiński, Artur; Jamiołkowski, Andrzej
In this paper we propose a dynamic quantum tomography model for open quantum systems with evolution given by phase-damping channels. Mathematically, these channels correspond to completely positive trace-preserving maps defined by the Hadamard product of the initial density matrix with a time-dependent matrix which carries the knowledge about the evolution. Physically, there is a strong motivation for considering this kind of evolution because such channels appear naturally in the theory of open quantum systems. The main idea behind a dynamic approach to quantum tomography claims that by performing the same kind of measurement at some time instants one can obtain new data for state reconstruction. Thus, this approach leads to a decrease in the number of distinct observables which are required for quantum tomography; however, the exact benefit for employing the dynamic approach depends strictly on how the quantum system evolves in time. Algebraic analysis of phase-damping channels allows one to determine criteria for quantum tomography of systems in question. General theorems and observations presented in the paper are accompanied by a specific example, which shows step by step how the theory works. The results introduced in this paper can potentially be applied in experiments where there is a tendency to look at quantum tomography from the point of view of economy of measurements, because each distinct kind of measurement requires, in general, preparing a separate setup.
Non-equilibrium quantum phase transition via entanglement decoherence dynamics
Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min
2016-01-01
We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained. PMID:27713556