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.
Isotropy and control of dissipative quantum dynamics
NASA Astrophysics Data System (ADS)
Dive, Benjamin; Burgarth, Daniel; Mintert, Florian
2016-07-01
We investigate the problem of what evolutions an open quantum system described by a time-local master equation can undergo with universal coherent controls. A series of conditions is given which exclude channels from being reachable by any unitary controls, assuming that the coupling to the environment is not being modified. These conditions primarily arise by defining decay rates for the generator of the dynamics of the open system, and then showing that controlling the system can only make these rates more isotropic. This forms a series of constraints on the shape and nonunitality of allowed evolutions, as well as an expression for the time required to reach a given goal. We give numerical examples of the usefulness of these criteria and explore some similarities they have with quantum thermodynamics.
Dynamical response theory for driven-dissipative quantum systems
NASA Astrophysics Data System (ADS)
Campos Venuti, Lorenzo; Zanardi, Paolo
2016-03-01
We discuss dynamical response theory of driven-dissipative quantum systems described by Markovian master equations generating semigroups of maps. In this setting thermal equilibrium states are replaced by nonequilibrium steady states, and dissipative perturbations are considered in addition to the Hamiltonian ones. We derive explicit expressions for the linear dynamical response functions for generalized dephasing channels and for Davies thermalizing generators. We introduce the notion of maximal harmonic response and compute it exactly for a single-qubit channel. Finally, we analyze linear response near dynamical phase transitions in quasifree open quantum systems. It is found that the effect of the dynamical phase transition shows up in a peak at the edge of the spectrum in the imaginary part of the dynamical response function.
Non-markovian mesoscopic dissipative dynamics of open quantum spin chains
NASA Astrophysics Data System (ADS)
Benatti, F.; Carollo, F.; Floreanini, R.; Narnhofer, H.
2016-01-01
We study the dissipative dynamics of N quantum spins with Lindblad generator consisting of operators scaling as fluctuations, namely with the inverse square-root of N. In the large N limit, the microscopic dissipative time-evolution converges to a non-Markovian unitary dynamics on strictly local operators, while at the mesoscopic level of fluctuations it gives rise to a dissipative non-Markovian dynamics. The mesoscopic time-evolution is Gaussian and exhibits either a stable or an unstable asymptotic character; furthermore, the mesoscopic dynamics builds correlations among fluctuations that survive in time even when the original microscopic dynamics is unable to correlate local observables.
Zhang, Yu Chen, GuanHua; Yam, ChiYung
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.
NASA Astrophysics Data System (ADS)
Gong, Z. R.; Yao, Wang
2012-02-01
Various dissipative processes have recently be exploited for preparing quantum state with multipartite entanglement between many qubits. Most such schemes are applicable only to an ensemble of identical qubits, and inhomogeneous broadening will reduce the state preparation fidelity. Here we show that by interlacing the dynamical decoupling pulse sequence with the dissipative state preparation control, the errors resulting from the inhomogeneous broadening can be suppressed up to certain order of the pulse interval and the desired entangled states can be prepared with high fidelity. We give two examples where sequence of pi pulses interlaced with dissipative control realize high fidelity preparation of cluster states and many-body singlets of atomic qubits.
Hermitian non-Markovian stochastic master equations for quantum dissipative dynamics
NASA Astrophysics Data System (ADS)
Yan, Yun-An; Zhou, Yun
2015-08-01
It remains a challenge for theory to simulate nonperturbative and non-Markovian quantum dissipative dynamics at low temperatures. In this study we suggest a Hermitian non-Markovian stochastic master equation suitable for dissipative dynamics at arbitrary temperatures. The memory effect of the bath is embedded within two real correlated Gaussian noises. This scheme is numerically verified by the hierarchical equation of motion and symmetry preserving for a symmetric two-level system. An exemplary application is carried out for the dynamics over a broad range of temperatures to investigate the temperature dependence of the Rabi frequency shift and the non-Markovianity.
Controlling the Dynamics of an Open Many-Body Quantum System with Localized Dissipation
NASA Astrophysics Data System (ADS)
Barontini, G.; Labouvie, R.; Stubenrauch, F.; Vogler, A.; Guarrera, V.; Ott, H.
2013-01-01
We experimentally investigate the action of a localized dissipative potential on a macroscopic matter wave, which we implement by shining an electron beam on an atomic Bose-Einstein condensate (BEC). We measure the losses induced by the dissipative potential as a function of the dissipation strength observing a paradoxical behavior when the strength of the dissipation exceeds a critical limit: for an increase of the dissipation rate the number of atoms lost from the BEC becomes lower. We repeat the experiment for different parameters of the electron beam and we compare our results with a simple theoretical model, finding excellent agreement. By monitoring the dynamics induced by the dissipative defect we identify the mechanisms which are responsible for the observed paradoxical behavior. We finally demonstrate the link between our dissipative dynamics and the measurement of the density distribution of the BEC allowing for a generalized definition of the Zeno effect. Because of the high degree of control on every parameter, our system is a promising candidate for the engineering of fully governable open quantum systems.
Quantum dissipative dynamics of two-level atoms in hyperbolic metamaterials
NASA Astrophysics Data System (ADS)
Cortes, Cristian; Jacob, Zubin
2015-04-01
Hyperbolic metamaterials (HMMs) represent a class of artificial nanostructured media that have garnered a lot of attention over the past few years due their broadband singularity in the photonic density of states. This unique property has led to many research directions ranging from subwavelength light manipulation to the control of radiative decay rates of quantum emitters in HMMs. Here, we apply a second quantization approach, first developed by Dekker (1975), to study the quantum dissipative dynamics of a two-level atom coupled to a hyperbolic medium. The Dekker quantization approach provides a framework that allows for non-Hermitian Hamiltonians whose imaginary part represents the dissipation of the quantum system. We calculate the resonance fluorescence spectrum and steady-state dynamics of a two-level atom in an HMM. Our results take into account non-idealities of the medium such as loss and finite unit-cell size and should be experimentally observable using current nanofabrication technology.
Quantum dissipative dynamics of two-level atoms in hyperbolic metamaterials
NASA Astrophysics Data System (ADS)
Cortes, Cristian; Jacob, Zubin
2015-05-01
Hyperbolic metamaterials (HMMs) represent a class of artificial nanostructured media that have garnered a lot of attention over the past few years due their broadband singularity in the photonic density of states. This unique property has led to many research directions ranging from subwavelength light manipulation to the control of radiative decay rates of quantum emitters in HMMs. Here, we apply a second quantization approach first developed by H. Dekker (1975), to study the quantum dissipative dynamics of a two-level atom coupled to a hyperbolic medium. The Dekker quantization approach provides a framework that allows for non-Hermitian Hamiltonians whose imaginary part represents the dissipation of the quantum system. We calculate the resonance fluorescence spectrum and steady-state dynamics of a two-level atom in an HMM. Our results take into account non-idealities of the medium such as loss and finite unit-cell size and should be experimentally observable using current nanofabrication technology.
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.
Optimizing quantum correlation dynamics by weak measurement in dissipative environment
NASA Astrophysics Data System (ADS)
Du, Shao-Jiang; Xia, Yun-Jie; Duan, De-Yang; Zhang, Lu; Gao, Qiang
2015-04-01
We investigate the protection of quantum correlations of two qubits in independent vacuum reservoirs by means of weak measurements. It is found that the weak measurement can reduce the amount of quantum correlation for one type of initial state at the beginning in a non-Markovian environment and meanwhile it can reduce the occurrence time of entanglement sudden death (ESD) in the process of time evolution. In a Markovian environment, the quantum entanglements of the two kinds of initial states decay rapidly and the weak measurement can further weaken the quantum entanglement, therefore in this case the entanglement cannot be optimized in the evolution process. Project supported by the National Natural Science Foundation of China (Grant Nos. 61178012 and No.11147019).
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.
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.
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.
Quantum dissonance induced by a thermal field and its dynamics in dissipative systems
NASA Astrophysics Data System (ADS)
Man, Z. X.; Xia, Y. J.; An, N. B.
2011-10-01
In this paper, we study quantum correlation in separable systems termed quantum dissonance [K. Modi, T. Paterek, W. Son, V. Vedral, M. Williamson, Phys. Rev. Lett. 104, 080501 (2010)]. Firstly, we study the emergence of quantum dissonance between two atoms prepared in uncorrelated states and coupled to a single-mode thermal field. We show that even for situations when the thermal field cannot entangle the two atoms, it can nevertheless induce quantum dissonance between them. Then, we investigate the dynamics including the transfer in both Markovian and non-Markovian regimes of quantum dissonance due to dissipation modeled by two independent subsystems each of which consists of a leaky cavity containing a two-level atom and surrounded by a reservoir. The two subsystems possess some amount of atomic quantum dissonance at the beginning but do not interact with each other by any means later on. We show that the quantum dissonance can be transferred among the composite subsystems, but the way it evolves and is transferred may be very different compared to that of entanglement. Finally, we present an efficient method to refrain the unwanted transfer of quantum dissonance from interested systems to reservoirs.
NASA Astrophysics Data System (ADS)
Sklarz, Shlomo E.; Tannor, David J.; Khaneja, Navin
2004-05-01
We study the problem of optimal control of dissipative quantum dynamics. Although under most circumstances dissipation leads to an increase in entropy (or a decrease in purity) of the system, there is an important class of problems for which dissipation with external control can decrease the entropy (or increase the purity) of the system. An important example is laser cooling. In such systems, there is an interplay of the Hamiltonian part of the dynamics, which is controllable, and the dissipative part of the dynamics, which is uncontrollable. The strategy is to control the Hamiltonian portion of the evolution in such a way that the dissipation causes the purity of the system to increase rather than decrease. The goal of this paper is to find the strategy that leads to maximal purity at the final time. Under the assumption that Hamiltonian control is complete and arbitrarily fast, we provide a general framework by which to calculate optimal cooling strategies. These assumptions lead to a great simplification, in which the control problem can be reformulated in terms of the spectrum of eigenvalues of ρ , rather than ρ itself. By combining this formulation with the Hamilton-Jacobi-Bellman theorem we are able to obtain an equation for the globally optimal cooling strategy in terms of the spectrum of the density matrix. For the three-level Λ system, we provide a complete analytic solution for the optimal cooling strategy. For this system it is found that the optimal strategy does not exploit system coherences and is a “greedy” strategy, in which the purity is increased maximally at each instant.
Sklarz, Shlomo E.; Tannor, David J.; Khaneja, Navin
2004-05-01
We study the problem of optimal control of dissipative quantum dynamics. Although under most circumstances dissipation leads to an increase in entropy (or a decrease in purity) of the system, there is an important class of problems for which dissipation with external control can decrease the entropy (or increase the purity) of the system. An important example is laser cooling. In such systems, there is an interplay of the Hamiltonian part of the dynamics, which is controllable, and the dissipative part of the dynamics, which is uncontrollable. The strategy is to control the Hamiltonian portion of the evolution in such a way that the dissipation causes the purity of the system to increase rather than decrease. The goal of this paper is to find the strategy that leads to maximal purity at the final time. Under the assumption that Hamiltonian control is complete and arbitrarily fast, we provide a general framework by which to calculate optimal cooling strategies. These assumptions lead to a great simplification, in which the control problem can be reformulated in terms of the spectrum of eigenvalues of {rho}, rather than {rho} itself. By combining this formulation with the Hamilton-Jacobi-Bellman theorem we are able to obtain an equation for the globally optimal cooling strategy in terms of the spectrum of the density matrix. For the three-level {lambda} system, we provide a complete analytic solution for the optimal cooling strategy. For this system it is found that the optimal strategy does not exploit system coherences and is a 'greedy' strategy, in which the purity is increased maximally at each instant.
Non-linear quantum critical dynamics and fluctuation-dissipation ratios far from equilibrium
NASA Astrophysics Data System (ADS)
Zamani, Farzaneh; Ribeiro, Pedro; Kirchner, Stefan
2016-02-01
Non-thermal correlations of strongly correlated electron systems and the far-from-equilibrium properties of phases of condensed matter have become a topical research area. Here, an overview of the non-linear dynamics found near continuous zero-temperature phase transitions within the context of effective temperatures is presented. In particular, we focus on models of critical Kondo destruction. Such a quantum critical state, where Kondo screening is destroyed in a critical fashion, is realized in a number of rare earth intermetallics. This raises the possibility of experimentally testing for the existence of fluctuation-dissipation relations far from equilibrium in terms of effective temperatures. Finally, we present an analysis of a non-interacting, critical reference system, the pseudogap resonant level model, in terms of effective temperatures and contrast these results with those obtained near interacting quantum critical points.
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.
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
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 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.
Dissipation Assisted Quantum Memory with Coupled Spin Systems
NASA Astrophysics Data System (ADS)
Jiang, Liang; Verstraete, Frank; Cirac, Ignacio; Lukin, Mikhail
2009-05-01
Dissipative dynamics often destroys quantum coherences. However, one can use dissipation to suppress decoherence. A well-known example is the so-called quantum Zeno effect, in which one can freeze the evolution using dissipative processes (e.g., frequently projecting the system to its initial state). Similarly, the undesired decoherence of quantum bits can also be suppressed using controlled dissipation. We propose and analyze the use of this generalization of quantum Zeno effect for protecting the quantum information encoded in the coupled spin systems. This new approach may potentially enhance the performance of quantum memories, in systems such as nitrogen-vacancy color-centers in diamond.
NASA Astrophysics Data System (ADS)
Wieser, Robert
2015-03-01
The classical Landau-Lifshitz equation has been derived from quantum mechanics. Starting point is the assumption of a non-Hermitian Hamilton operator to take the energy dissipation into account. The corresponding quantum mechanical spin dynamics along with the time dependent Schrödinger, Liouville and Heisenberg equation has been described and the similarities and differences between classical and quantum mechanical spin dynamics have been discussed. Furthermore, a time dependent Schrödinger equation corresponding to the classical Landau-Lifshitz-Gilbert equation and two ways to include temperature into the quantum mechanical spin dynamics have been proposed.
Quantum Dissipation in Nanomechanical Oscillators
NASA Astrophysics Data System (ADS)
Zolfagharkhani, G.; Gaidarzhy, A.; Badzey, R. L.; Mohanty, P.
2004-03-01
Dissipation or energy relaxation of a resonant mode in a nanomechanical device occurs by its coupling to environment degrees of freedom, which also acquire quantum mechanical correlations at millikelvin temperatures. We report measurements of temperature and magnetic field dependence of dissipation in single crystal silicon nanobeams in MHz up to 1 GHz frequency range. We extend our measurements down to temperatures of 20 millikelvin and up to fields of 16 tesla. The fabrication of our Nano-Electro-Mechanical Systems (NEMS) involves e-beam lithography, as well as various deposition and plasma etching processes. This work is supported by NSF and the Sloan Foundation.
Dissipative effects on quantum sticking.
Zhang, Yanting; Clougherty, Dennis P
2012-04-27
Using variational mean-field theory, many-body dissipative effects on the threshold law for quantum sticking and reflection of neutral and charged particles are examined. For the case of an Ohmic bosonic bath, we study the effects of the infrared divergence on the probability of sticking and obtain a nonperturbative expression for the sticking rate. We find that for weak dissipative coupling α, the low-energy threshold laws for quantum sticking are modified by an infrared singularity in the bath. The sticking probability for a neutral particle with incident energy E→0 behaves asymptotically as s~E((1+α)/2(1-α)); for a charged particle, we obtain s~E(α/2(1-α)). Thus, "quantum mirrors"-surfaces that become perfectly reflective to particles with incident energies asymptotically approaching zero-can also exist for charged particles. We provide a numerical example of the effects for electrons sticking to porous silicon via the emission of a Rayleigh phonon. PMID:22680861
Dissipative Effects on Quantum Sticking
NASA Astrophysics Data System (ADS)
Zhang, Yanting; Clougherty, Dennis P.
2012-04-01
Using variational mean-field theory, many-body dissipative effects on the threshold law for quantum sticking and reflection of neutral and charged particles are examined. For the case of an Ohmic bosonic bath, we study the effects of the infrared divergence on the probability of sticking and obtain a nonperturbative expression for the sticking rate. We find that for weak dissipative coupling α, the low-energy threshold laws for quantum sticking are modified by an infrared singularity in the bath. The sticking probability for a neutral particle with incident energy E→0 behaves asymptotically as s˜E(1+α)/2(1-α); for a charged particle, we obtain s˜Eα/2(1-α). Thus, “quantum mirrors”—surfaces that become perfectly reflective to particles with incident energies asymptotically approaching zero—can also exist for charged particles. We provide a numerical example of the effects for electrons sticking to porous silicon via the emission of a Rayleigh phonon.
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.
A quantum photonic dissipative transport theory
NASA Astrophysics Data System (ADS)
Lei, Chan U.; Zhang, Wei-Min
2012-05-01
In this paper, a quantum transport theory for describing photonic dissipative transport dynamics in nanophotonics is developed. The nanophotonic devices concerned in this paper consist of on-chip all-optical integrated circuits incorporating photonic bandgap waveguides and driven resonators embedded in nanostructured photonic crystals. The photonic transport through waveguides is entirely determined from the exact master equation of the driven resonators, which is obtained by explicitly eliminating all the degrees of freedom of the waveguides (treated as reservoirs). Back-reactions from the reservoirs are fully taken into account. The relation between the driven photonic dynamics and photocurrents is obtained explicitly. The non-Markovian memory structure and quantum decoherence dynamics in photonic transport can then be fully addressed. As an illustration, the theory is utilized to study the transport dynamics of a photonic transistor consisting of a nanocavity coupled to two waveguides in photonic crystals. The controllability of photonic transport through the external driven field is demonstrated.
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.
Dissipative Effects on Quantum Sticking
NASA Astrophysics Data System (ADS)
Zhang, Yanting; Clougherty, Dennis
2011-03-01
Using variational mean-field theory, many-body dissipative effects on the threshold law for quantum sticking and reflection of neutral particles are examined. For the case of an ohmic bosonic bath, we study the effects of the infrared divergence on the probability of sticking and obtain an analytic expression for the rate of sticking as an asymptotic expansion in the incident energy E . The low-energy threshold law for quantum sticking is found to be robust with respect to many-body effects and remains a universal scaling law to leading order in E . Non-universal many-body effects alter the coefficient of the rate law and the exponent of a subdominant term. We gratefully acknowledge support from NSF under DMR-0814377.
Entanglement and dephasing of quantum dissipative systems
Stauber, T.; Guinea, F.
2006-04-15
The von Neumann entropy of various quantum dissipative models is calculated in order to discuss the entanglement properties of these systems. First, integrable quantum dissipative models are discussed, i.e., the quantum Brownian motion and the quantum harmonic oscillator. In the case of the free particle, the related entanglement of formation shows no nonanalyticity. In the case of the dissipative harmonic oscillator, there is a nonanalyticity at the transition of underdamped to overdamped oscillations. We argue that this might be a general property of dissipative systems. We show that similar features arise in the dissipative two-level system and study different regimes using sub-Ohmic, Ohmic, and super-Ohmic baths, within a scaling approach.
On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics
NASA Astrophysics Data System (ADS)
Chen, Hsing-Ta; Berkelbach, Timothy C.; Reichman, David R.
2016-04-01
Well-defined criteria are proposed for assessing the accuracy of quantum master equations whose memory functions are approximated by Padé resummation of the first two moments in the electronic coupling. These criteria partition the parameter space into distinct levels of expected accuracy, ranging from quantitatively accurate regimes to regions of parameter space where the approach is not expected to be applicable. Extensive comparison of Padé-resummed master equations with numerically exact results in the context of the spin-boson model demonstrates that the proposed criteria correctly demarcate the regions of parameter space where the Padé approximation is reliable. The applicability analysis we present is not confined to the specifics of the Hamiltonian under consideration and should provide guidelines for other classes of resummation techniques.
On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics.
Chen, Hsing-Ta; Berkelbach, Timothy C; Reichman, David R
2016-04-21
Well-defined criteria are proposed for assessing the accuracy of quantum master equations whose memory functions are approximated by Padé resummation of the first two moments in the electronic coupling. These criteria partition the parameter space into distinct levels of expected accuracy, ranging from quantitatively accurate regimes to regions of parameter space where the approach is not expected to be applicable. Extensive comparison of Padé-resummed master equations with numerically exact results in the context of the spin-boson model demonstrates that the proposed criteria correctly demarcate the regions of parameter space where the Padé approximation is reliable. The applicability analysis we present is not confined to the specifics of the Hamiltonian under consideration and should provide guidelines for other classes of resummation techniques. PMID:27389208
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.
Quantal Cumulant Dynamics for Dissipative Systems
Shigeta, Yasuteru
2007-12-26
We develop a quantal cumulant dynamics method for the quantum tunneling in dissipative environment. Reduced equations of motion of classical and quantal cumulant variables without bath degrees of freedom are derived. We observed suppression of the tunneling that depends on the sign of a friction constant for an Ohmic approximation and on the magnitude of a bath frequency for a single bath mode approximation. A possible mechanism of the suppression is explored by analyzing an effective quantal potential of the tunneling path.
Quantum speed meter based on dissipative coupling
NASA Astrophysics Data System (ADS)
Vyatchanin, Sergey P.; Matsko, Andrey B.
2016-06-01
We show that generalized dissipative optomechanical coupling enables a direct quantum measurement of speed of a free test mass. An optical detection of a weak classical mechanical force based on this interaction is proposed. The sensitivity of the force measurement can be better than the standard quantum limit.
Dissipative superfluid dynamics from gravity
NASA Astrophysics Data System (ADS)
Bhattacharya, Jyotirmoy; Bhattacharyya, Sayantani; Minwalla, Shiraz
2011-04-01
Charged asymptotically AdS 5 black branes are sometimes unstable to the condensation of charged scalar fields. For fields of infinite charge and squared mass -4 Herzog was able to analytically determine the phase transition temperature and compute the endpoint of this instability in the neighborhood of the phase transition. We generalize Herzog's construction by perturbing away from infinite charge in an expansion in inverse charge and use the solutions so obtained as input for the fluid gravity map. Our tube wise construction of patched up locally hairy black brane solutions yields a one to one map from the space of solutions of superfluid dynamics to the long wavelength solutions of the Einstein Maxwell system. We obtain explicit expressions for the metric, gauge field and scalar field dual to an arbitrary superfluid flow at first order in the derivative expansion. Our construction allows us to read off the the leading dissipative corrections to the perfect superfluid stress tensor, current and Josephson equations. A general framework for dissipative superfluid dynamics was worked out by Landau and Lifshitz for zero superfluid velocity and generalized to nonzero fluid velocity by Clark and Putterman. Our gravitational results do not fit into the 13 parameter Clark-Putterman framework. Purely within fluid dynamics we present a consistent new generalization of Clark and Putterman's equations to a set of superfluid equations parameterized by 14 dissipative parameters. The results of our gravitational calculation fit perfectly into this enlarged framework. In particular we compute all the dissipative constants for the gravitational superfluid.
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
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.
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.
Dynamics of Dissipative Temporal Solitons
NASA Astrophysics Data System (ADS)
Peschel, U.; Michaelis, D.; Bakonyi, Z.; Onishchukov, G.; Lederer, F.
The properties and the dynamics of localized structures, frequently termed solitary waves or solitons, define, to a large extent, the behavior of the relevant nonlinear system [1]. Thus, it is a crucial and fundamental issue of nonlinear dynamics to fully characterize these objects in various conservative and dissipative nonlinear environments. Apart from this fundamental point of view, solitons (henceforth we adopt this term, even for localized solutions of non-integrable systems) exhibit a remarkable potential for applications, particularly if optical systems are considered. Regarding the type of localization, one can distinguish between temporal and spatial solitons. Spatial solitons are self-confined beams, which are shape-invariant upon propagation. (For an overview, see [2, 3]). It can be anticipated that they could play a vital role in all-optical processing and logic, since we can use their complex collision behavior [4]. Temporal solitons, on the other hand, represent shapeinvariant (or breathing) pulses. It is now common belief that robust temporal solitons will play a major role as elementary units (bits) of information in future all-optical networks [5, 6]. Until now, the main emphasis has been on temporal and spatial soliton families in conservative systems, where energy is conserved. Recently, another class of solitons, which are characterized by a permanent energy exchange with their environment, has attracted much attention. These solitons are termed dissipative solitons or auto-solitons. They emerge as a result of a balance between linear (delocalization and losses) and nonlinear (self-phase modulation and gain/loss saturation) effects. Except for very few cases [7], they form zero-parameter families and their features are entirely fixed by the underlying optical system. Cavity solitons form a prominent type. They appear as spatially-localized transverse peaks in transmission or reflection, e.g. from a Fabry-Perot cavity. They rely strongly on the
Chebyshev Expansion Applied to Dissipative Quantum Systems.
Popescu, Bogdan; Rahman, Hasan; Kleinekathöfer, Ulrich
2016-05-19
To determine the dynamics of a molecular aggregate under the influence of a strongly time-dependent perturbation within a dissipative environment is still, in general, a challenge. The time-dependent perturbation might be, for example, due to external fields or explicitly treated fluctuations within the environment. Methods to calculate the dynamics in these cases do exist though some of these approaches assume that the corresponding correlation functions can be written as a weighted sum of exponentials. One such theory is the hierarchical equations of motion approach. If the environment, however, is described by a complex spectral density or if its temperature is low, these approaches become very inefficient. Therefore, we propose a scheme based on a Chebyshev decomposition of the bath correlation functions and detail the respective quantum master equations within second-order perturbation theory in the environmental coupling. Similar approaches have recently been proposed for systems coupled to Fermionic reservoirs. The proposed scheme is tested for a simple two-level system and compared to existing results. Furthermore, the advantages and disadvantages of the present Chebyshev approach are discussed. PMID:26845380
Effects of dissipation on a quantum critical point with disorder.
Hoyos, José A; Kotabage, Chetan; Vojta, Thomas
2007-12-01
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. PMID:18233349
Observation of a Dissipation-Induced Classical to Quantum Transition
NASA Astrophysics Data System (ADS)
Raftery, James; Sadri, Darius; Schmidt, Sebastian; Türeci, Hakan; Houck, Andrew
2014-03-01
The emergence of non-trivial structure in many-body physics has been a central topic of research bearing on many branches of science. Important recent work has explored the nonequilibrium quantum dynamics of closed many-body systems. With the rapid technological advances in solid state quantum optics, it is now possible to experimentally study strongly correlated photons, and to build model systems whose open nature gives rise to rich emergent behavior. We report the experimental observation of a novel dissipation driven dynamical localization transition of strongly correlated photons in an extended superconducting circuit. Interaction with an environment has been argued to provide a mechanism for the emergence of classical behavior from a quantum system. Surprisingly, homodyne measurements reveal the observed localization transition to be from a regime of classical oscillations into a macroscopically self-trapped state manifesting revivals, a fundamentally quantum phenomenon. This experiment also demonstrates a new class of scalable quantum simulators with well controlled coherent and dissipative dynamics suited to the study of quantum many-body phenomena out of equilibrium. Supported by The Eric and Wendy Schmidt Transformative Technology Fund, the US National Science Foundation, the David and Lucile Packard Foundation, and the US Army Research Office.
Emergence of glasslike dynamics for dissipative and strongly interacting bosons.
Poletti, Dario; Barmettler, Peter; Georges, Antoine; Kollath, Corinna
2013-11-01
We study the dynamics of a strongly interacting bosonic quantum gas in an optical lattice potential under the effect of a dissipative environment. We show that the interplay between the dissipative process and the Hamiltonian evolution leads to an unconventional dynamical behavior of local number fluctuations. In particular, we show, both analytically and numerically, the emergence of an anomalous diffusive evolution in configuration space at short times and, at long times, an unconventional dynamics dominated by rare events. Such rare events, common in disordered and frustrated systems, are due here to strong interactions. This complex two-stage dynamics reveals information on the level structure of the strongly interacting gas. PMID:24266477
Dissipative Quantum Control of a Spin Chain
NASA Astrophysics Data System (ADS)
Morigi, Giovanna; Eschner, Jürgen; Cormick, Cecilia; Lin, Yiheng; Leibfried, Dietrich; Wineland, David J.
2015-11-01
A protocol is discussed for preparing a spin chain in a generic many-body state in the asymptotic limit of tailored nonunitary dynamics. The dynamics require the spectral resolution of the target state, optimized coherent pulses, engineered dissipation, and feedback. As an example, we discuss the preparation of an entangled antiferromagnetic state, and argue that the procedure can be applied to chains of trapped ions or Rydberg atoms.
Quantum information-geometry of dissipative quantum phase transitions.
Banchi, Leonardo; Giorda, Paolo; Zanardi, Paolo
2014-02-01
A general framework for analyzing the recently discovered phase transitions in the steady state of dissipation-driven open quantum systems is still lacking. To fill this gap, we extend the so-called fidelity approach to quantum phase transitions to open systems whose steady state is a Gaussian fermionic state. We endow the manifold of correlation matrices of steady states with a metric tensor g measuring the distinguishability distance between solutions corresponding to a different set of control parameters. The phase diagram can then be mapped out in terms of the scaling behavior of g and connections with the Liouvillean gap and the model correlation functions unveiled. We argue that the fidelity approach, thanks to its differential-geometric and information-theoretic nature, provides insights into dissipative quantum critical phenomena as well as a general and powerful strategy to explore them. PMID:25353417
Environment-dependent dissipation in quantum Brownian motion
Paavola, J.; Piilo, J.; Suominen, K.-A.; Maniscalco, S.
2009-05-15
The dissipative dynamics of a quantum Brownian particle is studied for different types of environment. We derive analytic results for the time evolution of the mean energy of the system for Ohmic, sub-Ohmic, and super-Ohmic environments, without performing the Markovian approximation. Our results allow one to establish a direct link between the form of the environmental spectrum and the thermalization dynamics. This in turn leads to a natural explanation of the microscopic physical processes ruling the system time evolution both in the short-time non-Markovian region and in the long-time Markovian one. Our comparative study of thermalization for different environments sheds light on the physical contexts in which non-Markovian dissipation effects are dominant.
Dissipative nonlinear dynamics in holography
NASA Astrophysics Data System (ADS)
Basu, Pallab; Ghosh, Archisman
2014-02-01
We look at the response of a nonlinearly coupled scalar field in an asymptotically AdS black brane geometry and find a behavior very similar to that of known dissipative nonlinear systems like the chaotic pendulum. Transition to chaos proceeds through a series of period-doubling bifurcations. The presence of dissipation, crucial to this behavior, arises naturally in a black hole background from the ingoing conditions imposed at the horizon. AdS/CFT translates our solution to a chaotic response of O, the operator dual to the scalar field. Our setup can also be used to study quenchlike behavior in strongly coupled nonlinear systems.
Quantum dissipative effect of one dimension coupled anharmonic oscillator
Sulaiman, A.; Zen, Freddy P.
2015-04-16
Quantum dissipative effect of one dimension coupled anharmonic oscillator is investigated. The systems are two coupled harmonic oscillator with the different masses. The dissipative effect is studied based on the quantum state diffusion formalism. The result show that the anharmonic effect increase the amplitude but the lifetime of the oscillation depend on the damping coefficient and do not depend on the temperature.
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.
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
Dissipative production of a maximally entangled steady state of two quantum bits
NASA Astrophysics Data System (ADS)
Lin, Y.; Gaebler, J. P.; Reiter, F.; Tan, T. R.; Bowler, R.; Sørensen, A. S.; Leibfried, D.; Wineland, D. J.
2013-12-01
Entangled states are a key resource in fundamental quantum physics, quantum cryptography and quantum computation. Introduction of controlled unitary processes--quantum gates--to a quantum system has so far been the most widely used method to create entanglement deterministically. These processes require high-fidelity state preparation and minimization of the decoherence that inevitably arises from coupling between the system and the environment, and imperfect control of the system parameters. Here we combine unitary processes with engineered dissipation to deterministically produce and stabilize an approximate Bell state of two trapped-ion quantum bits (qubits), independent of their initial states. Compared with previous studies that involved dissipative entanglement of atomic ensembles or the application of sequences of multiple time-dependent gates to trapped ions, we implement our combined process using trapped-ion qubits in a continuous time-independent fashion (analogous to optical pumping of atomic states). By continuously driving the system towards the steady state, entanglement is stabilized even in the presence of experimental noise and decoherence. Our demonstration of an entangled steady state of two qubits represents a step towards dissipative state engineering, dissipative quantum computation and dissipative phase transitions. Following this approach, engineered coupling to the environment may be applied to a broad range of experimental systems to achieve desired quantum dynamics or steady states. Indeed, concurrently with this work, an entangled steady state of two superconducting qubits was demonstrated using dissipation.
Kinetic foundations of relativistic dissipative fluid dynamics
NASA Astrophysics Data System (ADS)
Denicol, G. S.
2014-12-01
In this contribution we discuss in detail the most widespread formalisms employed to derive relativistic dissipative fluid dynamics from the Boltzmann equation: Chapman-Enskog expansion and Israel-Stewart theory. We further point out the drawbacks of each theory and explain possible ways to circumvent them. Recent developments in the derivation of fluid dynamics from the Boltzmann equation are also discussed.
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.
Jahn-Teller instability in dissipative quantum systems
Meaney, Charles P.; Duty, Tim; McKenzie, Ross H.; Milburn, G. J.
2010-04-15
We consider the steady states of a harmonic oscillator coupled so strongly to a two-level system (a qubit) that the rotating wave approximation cannot be made. The Hamiltonian version of this model is known as the E x {beta} Jahn-Teller model. The semiclassical version of this system exhibits a fixed-point bifurcation, which in the quantum model leads to a ground state with substantial entanglement between the oscillator and the qubit. We show that the dynamical bifurcation survives in a dissipative quantum description of the system, amidst an even richer bifurcation structure. We propose an experimental implementation of this model based on a superconducting cavity: a superconducting junction in the central conductor of a coplanar waveguide.
Role of quantum fluctuations in the dissipative dynamics of a 1D Bose gas in an optical lattice
NASA Astrophysics Data System (ADS)
Rey, Ana Maria; Gea-Banacloche, Julio; Pupillo, Guido; Williams, Carl J.; Clark, Charles W.
2005-03-01
We will present a theoretical treatment[1] of the surprisingly large damping observed recently in a experiment done at NIST [2] where the transport properties of a harmonically trapped 1D Bose gas in a periodic (optical lattice) potential were studied by observing small amplitude dipole oscillations. In the absence of the lattice these oscillations are expected to be undamped (generalized Kohn's theorem), however, large damping of the dipole mode was observed in the experiment for very weak optical lattices and very small cloud displacements. We will show that the observed damping can be derived from a model whose main ingredients are (a) a large noncondensate fraction that arises as a direct consequence of the enhanced effective on-site interaction due to the tight transverse confinement, (b) the fact that a non-negligible part of it occupies high-momentum states and is therefore affected by dynamical instabilities, and (c) the interaction of the condensate atoms with the random field created by these noncondensate atoms when their equilibrium state is perturbed. We find good agreement between the model and the experimental results. [1] Julio Gea-Banacloche et al. cond-mat/0410677. [2] C. D. Fertig, K. et al.cond-mat/0410491.
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.
Dynamical approach to weakly dissipative granular collisions
NASA Astrophysics Data System (ADS)
Pinto, Italo'Ivo Lima Dias; Rosas, Alexandre; Lindenberg, Katja
2015-07-01
Granular systems present surprisingly complicated dynamics. In particular, nonlinear interactions and energy dissipation play important roles in these dynamics. Usually (but admittedly not always), constant coefficients of restitution are introduced phenomenologically to account for energy dissipation when grains collide. The collisions are assumed to be instantaneous and to conserve momentum. Here, we introduce the dissipation through a viscous (velocity-dependent) term in the equations of motion for two colliding grains. Using a first-order approximation, we solve the equations of motion in the low viscosity regime. This approach allows us to calculate the collision time, the final velocity of each grain, and a coefficient of restitution that depends on the relative velocity of the grains. We compare our analytic results with those obtained by numerical integration of the equations of motion and with exact ones obtained by other methods for some geometries.
Quantum and classical dissipation of charged particles
Ibarra-Sierra, V.G.; Anzaldo-Meneses, A.; Cardoso, J.L.; Hernández-Saldaña, H.; Kunold, A.; Roa-Neri, J.A.E.
2013-08-15
A Hamiltonian approach is presented to study the two dimensional motion of damped electric charges in time dependent electromagnetic fields. The classical and the corresponding quantum mechanical problems are solved for particular cases using canonical transformations applied to Hamiltonians for a particle with variable mass. Green’s function is constructed and, from it, the motion of a Gaussian wave packet is studied in detail. -- Highlights: •Hamiltonian of a damped charged particle in time dependent electromagnetic fields. •Exact Green’s function of a charged particle in time dependent electromagnetic fields. •Time evolution of a Gaussian wave packet of a damped charged particle. •Classical and quantum dynamics of a damped electric charge.
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.
Influence of super-ohmic dissipation on a disordered quantum critical point.
Vojta, Thomas; Hoyos, José A; Mohan, Priyanka; Narayanan, Rajesh
2011-03-01
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. PMID:21339559
Dynamic fission instability of dissipative protoplanets
NASA Technical Reports Server (NTRS)
Boss, A. P.; Mizuno, H.
1985-01-01
Analytical and numerical approaches are taken to consider if a rapidly rotating, viscous protoearth would have lost mass by a fission process and thereby given birth to the moon. The fast rotation is assumed as the source of the instability in the dissipative liquid protoearth. Governing hydrodynamic equations are defined for the evolution of the protoearth. Account is taken of viscous dissipation, the pressure equation of state for the atmospheric material sent on a ballistic trajectory, and the effective viscosity. The results indicate that dynamic fission was probably not the process by which the protomoon came into existence.
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.
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.
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.
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.
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.
Blast Dynamics in a Dissipative Gas
NASA Astrophysics Data System (ADS)
Barbier, M.; Villamaina, D.; Trizac, E.
2015-11-01
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.
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. PMID:26636851
Heat flux and quantum correlations in dissipative cascaded systems
NASA Astrophysics Data System (ADS)
Lorenzo, Salvatore; Farace, Alessandro; Ciccarello, Francesco; Palma, G. Massimo; Giovannetti, Vittorio
2015-02-01
We study the dynamics of heat flux in the thermalization process of a pair of identical quantum systems that interact dissipatively with a reservoir in a cascaded fashion. Despite that the open dynamics of the bipartite system S is globally Lindbladian, one of the subsystems "sees" the reservoir in a state modified by the interaction with the other subsystem and hence it undergoes a non-Markovian dynamics. As a consequence, the heat flow exhibits a nonexponential time behavior which can greatly deviate from the case where each party is independently coupled to the reservoir. We investigate both thermal and correlated initial states of S and show that the presence of correlations at the beginning can considerably affect the heat-flux rate. We carry out our study in two paradigmatic cases—a pair of harmonic oscillators with a reservoir of bosonic modes and two qubits with a reservoir of fermionic modes—and compare the corresponding behaviors. In the case of qubits and for initial thermal states, we find that the trace distance discord is at any time interpretable as the correlated contribution to the total heat flux.
Quantum metrology with spin cat states under dissipation
Huang, Jiahao; Qin, Xizhou; Zhong, Honghua; Ke, Yongguan; Lee, Chaohong
2015-01-01
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. PMID:26647821
Quantum metrology with spin cat states under dissipation.
Huang, Jiahao; Qin, Xizhou; Zhong, Honghua; Ke, Yongguan; Lee, Chaohong
2015-01-01
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. PMID:26647821
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.
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.
New developments in relativistic dissipative fluid dynamics
NASA Astrophysics Data System (ADS)
Muronga, Azwinndini
2010-09-01
The recent notion of the perfect fluid created at the relativistic heavy ion collider (RHIC) has been embraced by many experimentalists and theorists alike. However, much of the evidence to this notion has been based on the success of describing some experimental observables by non-viscous hydrodynamics or by small shear viscosity to entropy density ratio. Developments on viscous hydrodynamics evolved from (0+1) dimensions (Bjorken scaling solution) over (1+1) dimensions (Bjorken + transverse flow) to (2+1) dimensions (elliptic flow) and currently (3+1) dimensions. There still exist some formal issues concerning the allowed form of the relativistic viscous hydrodynamic equations and what effects the new additional or higher order terms will have on the spacetime evolution and the experimental observables. Starting with a brief introduction of the basics of relativsitic fluid dynamics, I will discuss our current knowledge of relativistic theory of fluid dynamics in the presence of dissipative fluxes.
Nonequilibrium quantum dissipation in spin-fermion systems
NASA Astrophysics Data System (ADS)
Segal, Dvira; Reichman, David R.; Millis, Andrew J.
2007-11-01
Dissipative processes in nonequilibrium many-body systems are fundamentally different than their equilibrium counterparts. Such processes are of great importance for the understanding of relaxation in single-molecule devices. As a detailed case study, we investigate here a generic spin-fermion model, where a two-level system couples to two metallic leads with different chemical potentials. We present results for the spin relaxation rate in the nonadiabatic limit for an arbitrary coupling to the leads using both analytical and exact numerical methods. The nonequilibrium dynamics is reflected by an exponential relaxation at long times and via complex phase shifts, leading in some cases to an “antiorthogonality” effect. In the limit of strong system-lead coupling at zero temperature we demonstrate the onset of a Marcus-like Gaussian decay with voltage difference activation. This is analogous to the equilibrium spin-boson model, where at strong coupling and high temperatures, the spin excitation rate manifests temperature activated Gaussian behavior. We find that there is no simple linear relationship between the role of the temperature in the bosonic system and a voltage drop in a nonequilibrium electronic case. The two models also differ by the orthogonality-catastrophe factor existing in a fermionic system, which modifies the resulting line shapes. Implications for current characteristics are discussed. We demonstrate the violation of pairwise Coulomb gas behavior for strong coupling to the leads. The results presented in this paper form the basis of an exact, nonperturbative description of steady-state quantum dissipative systems.
Quantum-limited Amplification via Dissipation in Superconducting Circuits
NASA Astrophysics Data System (ADS)
Metelmann, A.; Clerk, A. A.
2015-03-01
The development of parametric amplifiers based on superconducting circuits has led to an impressive improvement in the precision and sensitivity of measurements in the quantum regime. However, standard cavity-based parametric amplifiers suffer from a fixed gain-bandwidth product. Moreover they are reciprocal devices, i.e., they amplify in both directions, leading to the requirement of additional noisy elements as circulators in the measurement chain. In our recent work we discussed a phase-insensitive quantum amplifier which utilizes dissipative interactions in a parametrically-coupled three-mode bosonic system. The use of dissipative interactions provides a fundamental advantage over standard cavity-based parametric amplifiers: large photon number gains are possible with quantum-limited added noise, with no limitation on the gain-bandwidth product. In this talk we present how this can be extended to phase-sensitive amplifiers and discuss the possibilities of making the amplifier directional.
NASA Astrophysics Data System (ADS)
Nourmandipour, A.; Tavassoly, M. K.; Bolorizadeh, M. A.
2016-08-01
We investigate the quantum Zeno and anti-Zeno effects on pairwise entanglement dynamics of a collective of non-interacting qubits which have been initially prepared in a Werner state and are off-resonantly coupled to a common and non-Markovian environment. We obtain the analytical expression of the concurrence in the absence and presence of the non-selective measurements. In particular, we express our results in the strong and weak coupling regimes and examine the role of the system size, and the effect of the detuning from the cavity field frequency on the temporal behaviour of the pairwise entanglement. We show that, the detuning parameter has a positive role in the protection of entanglement in the absence of the measurement for weak coupling regime. We find that for the values of detuning parameter less than the cavity damping rate, the quantum Zeno effect is always dominant, while for the values greater than the cavity damping rate, both Zeno and anti-Zeno effects can occur, depending on the measurement intervals. We also find that the anti-Zeno effect can occur in the pairwise entanglement dynamics in the absence and presence of the detuning in the strong coupling regime.
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.
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.
Flow around spheres by dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Chen, Shuo; Phan-Thien, Nhan; Khoo, Boo Cheong; Fan, Xi Jun
2006-10-01
The dissipative particle dynamics (DPD) method is used to study the flow behavior past a sphere. The sphere is represented by frozen DPD particles while the surrounding fluids are modeled by simple DPD particles (representing a Newtonian fluid). For the surface of the sphere, the conventional model without special treatment and the model with specular reflection boundary condition proposed by Revenga et al. [Comput. Phys. Commun. 121-122, 309 (1999)] are compared. Various computational domains, in which the sphere is held stationary at the center, are investigated to gage the effects of periodic conditions and walls for Reynolds number (Re)=0.5 and 50. Two types of flow conditions, uniform flow and shear flow are considered, respectively, to study the drag force and torque acting on the stationary sphere. It is found that the calculated drag force imposed on the sphere based on the model with specular reflection is slightly lower than the conventional model without special treatment. With the conventional model the drag force acting on the sphere is in better agreement with experimental correlation obtained by Brown and Lawler [J. Environ. Eng. 129, 222 (2003)] for the case of larger radius up to Re of about 5. The computed torque also approaches the analytical Stokes value when Re <1. For a force-free and torque-free sphere, its motion in the flow is captured by solving the translational and rotational equations of motion. The effects of different DPD parameters (a, γ, and σ) on the drag force and torque are studied. It shows that the dissipative coefficient (γ) mainly affects the drag force and torque, while random and conservative coefficient have little influence on them. Furthermore the settling of a single sphere in square tube is investigated, in which the wall effect is considered. Good agreement is found with the experiments of Miyamura et al. [Int. J. Multiphase Flow 7, 31 (1981)] and lattice-Boltzmann simulation results of Aidun et al. [J. Fluid Mech
Multiscale modeling with smoothed dissipative particle dynamics.
Kulkarni, Pandurang M; Fu, Chia-Chun; Shell, M Scott; Leal, L Gary
2013-06-21
In this work, we consider two issues related to the use of Smoothed Dissipative Particle Dynamics (SDPD) as an intermediate mesoscale model in a multiscale scheme for solution of flow problems when there are local parts of a macroscopic domain that require molecular resolution. The first is to demonstrate that SDPD with different levels of resolution can accurately represent the fluid properties from the continuum scale all the way to the molecular scale. Specifically, while the thermodynamic quantities such as temperature, pressure, and average density remain scale-invariant, we demonstrate that the dynamic properties are quantitatively consistent with an all-atom Lennard-Jones reference system when the SDPD resolution approaches the atomistic scale. This supports the idea that SDPD can serve as a natural bridge between molecular and continuum descriptions. In the second part, a simple multiscale methodology is proposed within the SDPD framework that allows several levels of resolution within a single domain. Each particle is characterized by a unique physical length scale called the smoothing length, which is inversely related to the local number density and can change on-the-fly. This multiscale methodology is shown to accurately reproduce fluid properties for the simple problem of steady and transient shear flow. PMID:23802949
Dynamics and universality in noise-driven dissipative systems
NASA Astrophysics Data System (ADS)
Dalla Torre, Emanuele G.; Demler, Eugene; Giamarchi, Thierry; Altman, Ehud
2012-05-01
We investigate the dynamical properties of low-dimensional systems, driven by external noise sources. Specifically we consider a resistively shunted Josephson junction and a one-dimensional quantum liquid in a commensurate lattice potential, subject to 1/f noise. In absence of nonlinear coupling, we have shown previously that these systems establish a nonequilibrium critical steady state [Dalla Torre, Demler, Giamarchi, and Altman, Nat. Phys.1745-247310.1038/nphys1754 6, 806 (2010)]. Here, we use this state as the basis for a controlled renormalization group analysis using the Keldysh path integral formulation to treat the nonlinearities: the Josephson coupling and the commensurate lattice. The analysis to first order in the coupling constant indicates transitions between superconducting and localized regimes that are smoothly connected to the respective equilibrium transitions. However, at second order, the back action of the mode coupling on the critical state leads to renormalization of dissipation and emergence of an effective temperature. In the Josephson junction, the temperature is parametrically small allowing to observe a universal crossover between the superconducting and insulating regimes. The I-V characteristics of the junction displays algebraic behavior controlled by the underlying critical state over a wide range. In the noisy one-dimensional liquid, the generated dissipation and effective temperature are not small as in the junction. We find a crossover between a quasilocalized regime dominated by dissipation and another dominated by temperature. However, since in the thermal regime the thermalization rate is parametrically small, signatures of the nonequilibrium critical state may be seen in transient dynamics.
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).
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.
Lindblad dynamics of a quantum spherical spin
NASA Astrophysics Data System (ADS)
Wald, Sascha; Henkel, Malte
2016-03-01
The coherent quantum dynamics of a single bosonic spin variable, subject to a constraint derived from the quantum spherical model of a ferromagnet, and coupled to an external heat bath, is studied through the Lindblad equation for the reduced density matrix. Closed systems of equations of motion for several quantum observables are derived and solved exactly. The relationship to the single-mode Dicke model from quantum optics is discussed. The analysis of the interplay of the quantum fluctuation and the dissipation and their influence on the relaxation of the time-dependent magnetisation leads to the distinction of qualitatively different regimes of weak and strong quantum couplings. Considering the model’s behaviour in an external field as a simple mean-field approximation of the dynamics of a quantum spherical ferromagnet, the magnetic phase diagram appears to be re-entrant and presents a quantum analogue of well-established classical examples of fluctuation-induced order.
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.
Dissipative Optomechanical Preparation of Macroscopic Quantum Superposition States.
Abdi, M; Degenfeld-Schonburg, P; Sameti, M; Navarrete-Benlloch, C; Hartmann, M J
2016-06-10
The transition from quantum to classical physics remains an intensely debated question even though it has been investigated for more than a century. Further clarifications could be obtained by preparing macroscopic objects in spatial quantum superpositions and proposals for generating such states for nanomechanical devices either in a transient or a probabilistic fashion have been put forward. Here, we introduce a method to deterministically obtain spatial superpositions of arbitrary lifetime via dissipative state preparation. In our approach, we engineer a double-well potential for the motion of the mechanical element and drive it towards the ground state, which shows the desired spatial superposition, via optomechanical sideband cooling. We propose a specific implementation based on a superconducting circuit coupled to the mechanical motion of a lithium-decorated monolayer graphene sheet, introduce a method to verify the mechanical state by coupling it to a superconducting qubit, and discuss its prospects for testing collapse models for the quantum to classical transition. PMID:27341233
Dissipative Optomechanical Preparation of Macroscopic Quantum Superposition States
NASA Astrophysics Data System (ADS)
Abdi, M.; Degenfeld-Schonburg, P.; Sameti, M.; Navarrete-Benlloch, C.; Hartmann, M. J.
2016-06-01
The transition from quantum to classical physics remains an intensely debated question even though it has been investigated for more than a century. Further clarifications could be obtained by preparing macroscopic objects in spatial quantum superpositions and proposals for generating such states for nanomechanical devices either in a transient or a probabilistic fashion have been put forward. Here, we introduce a method to deterministically obtain spatial superpositions of arbitrary lifetime via dissipative state preparation. In our approach, we engineer a double-well potential for the motion of the mechanical element and drive it towards the ground state, which shows the desired spatial superposition, via optomechanical sideband cooling. We propose a specific implementation based on a superconducting circuit coupled to the mechanical motion of a lithium-decorated monolayer graphene sheet, introduce a method to verify the mechanical state by coupling it to a superconducting qubit, and discuss its prospects for testing collapse models for the quantum to classical transition.
Diffusion of Dissipative Correlation in the Dynamic Failure of Solids
NASA Astrophysics Data System (ADS)
Grady, Dennis
A property identified as the dissipative action has found application as a unifying attribute underlying the dynamic failure of solid materials. Failure modes include tensile spall, impact-induced dynamic shear, shock compaction and steady shock-wave compression. The present work explores the possible application of Langevin dynamics and related statistical mechanical implications as underlying the extreme dynamic failure of solids.
Nonequilibrium transport at a dissipative quantum phase transition.
Chung, Chung-Hou; Le Hur, Karyn; Vojta, Matthias; Wölfle, Peter
2009-05-29
We investigate the nonequilibrium transport near a quantum phase transition in a generic and relatively simple model, the dissipative resonant level model, that has many applications for nanosystems. We formulate a rigorous mapping and apply a controlled frequency-dependent renormalization group approach to compute the nonequilibrium current in the presence of a finite bias voltage V and a finite temperature T. For V-->0, we find that the conductance has its well-known equilibrium form, while it displays a distinct nonequilibrium profile at finite voltage. PMID:19519125
Ding, Jin-Jin; Xu, Rui-Xue; Yan, YiJing
2012-06-14
We present an optimized hierarchical equations of motion theory for quantum dissipation in multiple Brownian oscillators bath environment, followed by a mechanistic study on a model donor-bridge-acceptor system. We show that the optimal hierarchy construction, via the memory-frequency decomposition for any specified Brownian oscillators bath, is generally achievable through a universal pre-screening search. The algorithm goes by identifying the candidates for the best be just some selected Padé spectrum decomposition based schemes, together with a priori accuracy control criterions on the sole approximation, the white-noise residue ansatz, involved in the hierarchical construction. Beside the universal screening search, we also analytically identify the best for the case of Drude dissipation and that for the Brownian oscillators environment without strongly underdamped bath vibrations. For the mechanistic study, we quantify the quantum nature of bath influence and further address the issue of localization versus delocalization. Proposed are a reduced system entropy measure and a state-resolved constructive versus destructive interference measure. Their performances on quantifying the correlated system-environment coherence are exemplified in conjunction with the optimized hierarchical equations of motion evaluation of the model system dynamics, at some representing bath parameters and temperatures. Analysis also reveals the localization to delocalization transition as temperature decreases. PMID:22713032
NASA Astrophysics Data System (ADS)
Ding, Jin-Jin; Xu, Rui-Xue; Yan, YiJing
2012-06-01
We present an optimized hierarchical equations of motion theory for quantum dissipation in multiple Brownian oscillators bath environment, followed by a mechanistic study on a model donor-bridge-acceptor system. We show that the optimal hierarchy construction, via the memory-frequency decomposition for any specified Brownian oscillators bath, is generally achievable through a universal pre-screening search. The algorithm goes by identifying the candidates for the best be just some selected Padé spectrum decomposition based schemes, together with a priori accuracy control criterions on the sole approximation, the white-noise residue ansatz, involved in the hierarchical construction. Beside the universal screening search, we also analytically identify the best for the case of Drude dissipation and that for the Brownian oscillators environment without strongly underdamped bath vibrations. For the mechanistic study, we quantify the quantum nature of bath influence and further address the issue of localization versus delocalization. Proposed are a reduced system entropy measure and a state-resolved constructive versus destructive interference measure. Their performances on quantifying the correlated system-environment coherence are exemplified in conjunction with the optimized hierarchical equations of motion evaluation of the model system dynamics, at some representing bath parameters and temperatures. Analysis also reveals the localization to delocalization transition as temperature decreases.
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.
Floquet control of quantum dissipation in spin chains
NASA Astrophysics Data System (ADS)
Chen, Chong; An, Jun-Hong; Luo, Hong-Gang; Sun, C. P.; Oh, C. H.
2015-05-01
Controlling the decoherence induced by the interaction of quantum system with its environment is a fundamental challenge in quantum technology. Utilizing Floquet theory, we explore the constructive role of temporal periodic driving in suppressing decoherence of a spin-1/2 particle coupled to a spin bath. It is revealed that, accompanying the formation of a Floquet bound state in the quasienergy spectrum of the whole system including the system and its environment, the dissipation of the spin system can be inhibited and the system tends to coherently synchronize with the driving. It can be seen as an analog to the decoherence suppression induced by the structured environment in spatially periodic photonic crystal setting. Comparing with other decoherence control schemes, our protocol is robust against the fluctuation of control parameters and easy to realize in practice. It suggests a promising perspective of periodic driving in decoherence control.
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. PMID:26465455
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.
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.
Fluctuation-dissipation dynamics of cosmological scalar fields
NASA Astrophysics Data System (ADS)
Bartrum, Sam; Berera, Arjun; Rosa, João G.
2015-04-01
We show that dissipative effects have a significant impact on the evolution of cosmological scalar fields, leading to friction, entropy production and field fluctuations. We explicitly compute the dissipation coefficient for different scalar fields within the standard model and some of its most widely considered extensions, in different parametric regimes. We describe the generic consequences of fluctuation-dissipation dynamics in the postinflationary universe, focusing in particular on friction and particle production, and analyze in detail two important effects. First, we show that dissipative friction delays the process of spontaneous symmetry breaking and may even damp the motion of a Higgs field sufficiently to induce a late period of warm inflation. Along with dissipative entropy production, this may parametrically dilute the abundance of dangerous thermal relics. Second, we show that dissipation can generate the observed baryon asymmetry without symmetry restoration, and we develop in detail a model of dissipative leptogenesis. We further show that this generically leads to characteristic baryon isocurvature perturbations that can be tested with cosmic microwave background observations. This work provides a fundamental framework to go beyond the leading thermal equilibrium semiclassical approximation in addressing fundamental problems in modern cosmology.
Entanglement Dynamics and its Application for Two Qubits in Dissipative Environment
NASA Astrophysics Data System (ADS)
Chen, Z. Q.; Yu, X. G.; Fu, Guolan; Xu, Hualan; Yu, Yanxia
2015-02-01
An entanglement dynamics of two dissipative qubits under different situation of initial conditions is studied. We find that the periodic disentanglement and entanglement results from the interaction between two qubits, while the disentanglement is primarily caused by environmental perturbations. In the two cases of a pure dephasing environment and a normal environment, the sudden death of entanglement (ESD) is happened. For a simple dissipative environment, the sudden death of entanglement disappears for non-interacting qubits. The concurrence decreases gradually with the involving time, where the stronger the strength interacting with the environment is, the faster the attenuation of the amplitude of concurrence should be. Without the interaction with the environment, ESD would disappear. Furthermore, the applications of quantum entanglement are discussed in the rotating operator dynamics and the populations of quantum states.
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.
Rheology of Deformable Particle Suspensions by Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Chaudhri, Anuj; Lukes, Jennifer R.
2007-03-01
Understanding the behavior of colloidal suspensions, emulsions, and other complex fluids under shear flow is important in liquid crystal switching, lab-on-chip processing of biological fluids, self-assembly of polymer structures, and other areas of soft matter physics. Various analytical and computational approaches, including Brownian dynamics, dissipative particle dynamics, and Stokesian dynamics, have been applied to study the rheology of rigid particle suspensions. Still lacking are methods capable of treating suspensions containing deformable particles such as blood cells or macromolecules. Here we present a new, dissipative particle dynamics-based computational method with this capability. This method is used to calculate the shear rate dependence of viscosity for suspensions of deformable particles with varying stiffnesses.
Dissipation and entropy production in open quantum systems
NASA Astrophysics Data System (ADS)
Majima, H.; Suzuki, A.
2010-11-01
A microscopic description of an open system is generally expressed by the Hamiltonian of the form: Htot = Hsys + Henviron + Hsys-environ. We developed a microscopic theory of entropy and derived a general formula, so-called "entropy-Hamiltonian relation" (EHR), that connects the entropy of the system to the interaction Hamiltonian represented by Hsys-environ for a nonequilibrium open quantum system. To derive the EHR formula, we mapped the open quantum system to the representation space of the Liouville-space formulation or thermo field dynamics (TFD), and thus worked on the representation space Script L := Script H otimes , where Script H denotes the ordinary Hilbert space while the tilde Hilbert space conjugates to Script H. We show that the natural transformation (mapping) of nonequilibrium open quantum systems is accomplished within the theoretical structure of TFD. By using the obtained EHR formula, we also derived the equation of motion for the distribution function of the system. We demonstrated that by knowing the microscopic description of the interaction, namely, the specific form of Hsys-environ on the representation space Script L, the EHR formulas enable us to evaluate the entropy of the system and to gain some information about entropy for nonequilibrium open quantum systems.
A particle-dynamics study of dissipation in colliding clouds of ultracold fermions.
Succi, Sauro; Toschi, Federico; Capuzzi, Pablo; Vignolo, Patrizia; Tosi, Mario P
2004-08-15
We present a numerical study of the micro-dynamical roots of dissipation in two colliding mesoscopic clouds of point-like fermions as a function of the scattering length and of temperature approaching full quantum degeneracy. This study, which is motivated by current experiments on ultracold gaseous mixtures of fermionic atoms inside magnetic traps, combines the solution of the coupled Vlasov-Landau equations for the Wigner distribution functions with a locally adaptive importance-sampling technique for handling collisional interactions. The results illustrate the consequences of genuinely quantum collisional phenomena, and in particular the role of Pauli blocking in the transition to hydrodynamic behaviour. We also compare the computed quantum collision rate as a function of temperature in the weak-coupling case with theoretical results assuming that equilibrium distributions determine the quantum collision integral. PMID:15306433
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 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.
A variational approach for dissipative quantum transport in a wide parameter space
NASA Astrophysics Data System (ADS)
Zhang, Yu; Yam, ChiYung; Kwok, YanHo; Chen, GuanHua
2015-09-01
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.
Dynamic performance of dissipative dielectric elastomers under alternating mechanical load
NASA Astrophysics Data System (ADS)
Zhang, Junshi; Chen, Hualing; Sheng, Junjie; Liu, Lei; Wang, Yongquan; Jia, Shuhai
2014-07-01
This paper presents a theoretical study about the effect of dissipation on the dynamic performance of a dielectric elastomer membrane subject to a combination of mechanical load and voltage. The thermodynamic dissipative model is given and the equation of motion is deduced by a free energy method. It is found that when the applied mechanical load and voltage are static, the membrane may reach a state of equilibrium after the viscoelastic relaxation. When the voltage is static but the mechanical load is sinusoidal, the membrane will resonate at multiple frequencies. The study result indicates that the viscoelasticity can reduce the natural frequency and increase the mean stretch of the dielectric elastomer. After the power source is cut off, the effect of current leakage on dynamic performance under alternating mechanical load is that the natural frequency increases and the mean stretch reduces.
Efficient Schmidt number scaling in dissipative particle dynamics.
Krafnick, Ryan C; García, Angel E
2015-12-28
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. PMID:26723591
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.
Obtaining pure steady states in nonequilibrium quantum systems with strong dissipative couplings
NASA Astrophysics Data System (ADS)
Popkov, Vladislav; Presilla, Carlo
2016-02-01
Dissipative preparation of a pure steady state usually involves a commutative action of a coherent and a dissipative dynamics on the target state. Namely, the target pure state is an eigenstate of both the coherent and dissipative parts of the dynamics. We show that working in the Zeno regime, i.e., for infinitely large dissipative coupling, one can generate a pure state by a noncommutative action, in the above sense, of the coherent and dissipative dynamics. A corresponding Zeno regime pureness criterion is derived. We illustrate the approach, looking at both its theoretical and applicative aspects, in the example case of an open X X Z spin-1 /2 chain, driven out of equilibrium by boundary reservoirs targeting different spin orientations. Using our criterion, we find two families of pure nonequilibrium steady states, in the Zeno regime, and calculate the dissipative strengths effectively needed to generate steady states which are almost indistinguishable from the target pure states.
Decoherence and dissipation of a quantum harmonic oscillator coupled to two-level systems
Schlosshauer, Maximilian; Hines, A. P.; Milburn, G. J.
2008-02-15
We derive and analyze the Born-Markov master equation for a quantum harmonic oscillator interacting with a bath of independent two-level systems. This hitherto virtually unexplored model plays a fundamental role as one of the four 'canonical' system-environment models for decoherence and dissipation. To investigate the influence of further couplings of the environmental spins to a dissipative bath, we also derive the master equation for a harmonic oscillator interacting with a single spin coupled to a bosonic bath. Our models are experimentally motivated by quantum-electromechanical systems and micron-scale ion traps. Decoherence and dissipation rates are found to exhibit temperature dependencies significantly different from those in quantum Brownian motion. In particular, the systematic dissipation rate for the central oscillator decreases with increasing temperature and goes to zero at zero temperature, but there also exists a temperature-independent momentum-diffusion (heating) rate.
Phases, collective modes, and nonequilibrium dynamics of dissipative Rydberg atoms
NASA Astrophysics Data System (ADS)
Ray, S.; Sinha, S.; Sengupta, K.
2016-03-01
We use a density matrix formalism to study the equilibrium phases and nonequilibrium dynamics of a system of dissipative Rydberg atoms in an optical lattice within mean-field theory. We provide equations for the fixed points of the density matrix evolution for atoms with infinite on-site repulsion and analyze these equations to obtain their Mott-insulator-superfluid (MI-SF) phase boundary. A stability analysis around these fixed points provides us with the excitation spectrum of the atoms both in the MI and SF phases. We study the nature of the MI-SF critical point in the presence of finite dissipation of Rydberg excitations, discuss the fate of the superfluid order parameter of the atoms in the presence of such dissipation in the weak-coupling limit using a coherent state representation of the density matrix, and extend our analysis to Rydberg atoms with finite on-site interaction via numerical solution of the density matrix equations. Finally, we vary the boson (atom) hopping parameter J and the dissipation parameter Γ according to a linear ramp protocol. We study the evolution of entropy of the system following such a ramp and show that the deviation of the entropy from its steady-state value for the latter protocol exhibits power-law behavior as a function of the ramp time. We discuss experiments that can test our theory.
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.; Department of Chemistry and Center for Quantum Information and Quantum Control, Chemical Physics Theory Group, University of Toronto, Toronto, Ontario M5S 3H6 ; 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.
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 Spin Dimers from Chiral Dissipation in Cold-Atom Chains
NASA Astrophysics Data System (ADS)
Ramos, Tomás; Pichler, Hannes; Daley, Andrew J.; Zoller, Peter
2014-12-01
We consider the nonequilibrium dynamics of a driven dissipative spin chain with chiral coupling to a one-dimensional (1D) bosonic bath, and its atomic implementation with a two-species mixture of cold quantum gases. The reservoir is represented by a spin-orbit coupled 1D quasicondensate of atoms in a magnetized phase, while the spins are identified with motional states of a separate species of atoms in an optical lattice. The chirality of reservoir excitations allows the spins to couple differently to left- and right-moving modes, which in our atomic setup can be tuned from bidirectional to purely unidirectional. Remarkably, this leads to a pure steady state in which pairs of neighboring spins form dimers that decouple from the remainder of the chain. Our results also apply to current experiments with two-level emitters coupled to photonic waveguides.
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.
Derivation of anisotropic dissipative fluid dynamics from the Boltzmann equation
NASA Astrophysics Data System (ADS)
Molnár, Etele; Niemi, Harri; Rischke, Dirk H.
2016-06-01
Fluid-dynamical equations of motion can be derived from the Boltzmann equation in terms of an expansion around a single-particle distribution function which is in local thermodynamical equilibrium, i.e., isotropic in momentum space in the rest frame of a fluid element. However, in situations where the single-particle distribution function is highly anisotropic in momentum space, such as the initial stage of heavy-ion collisions at relativistic energies, such an expansion is bound to break down. Nevertheless, one can still derive a fluid-dynamical theory, called anisotropic dissipative fluid dynamics, in terms of an expansion around a single-particle distribution function, f^0 k, which incorporates (at least parts of) the momentum anisotropy via a suitable parametrization. We construct such an expansion in terms of polynomials in energy and momentum in the direction of the anisotropy and of irreducible tensors in the two-dimensional momentum subspace orthogonal to both the fluid velocity and the direction of the anisotropy. From the Boltzmann equation we then derive the set of equations of motion for the irreducible moments of the deviation of the single-particle distribution function from f^0 k. Truncating this set via the 14-moment approximation, we obtain the equations of motion of anisotropic dissipative fluid dynamics.
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.
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.
Polymer chain simulations in microchannels with Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Symeonidis, Vasileios; Karniadakis, George; Caswell, Bruce
2006-03-01
In this work we employ Dissipative Particle Dynamics (dpd) for simulations of dilute polymer solutions using bead-spring representations. We present comparison of two time-marching schemes: the popular velocity-Verlet and Lowe's scheme. Schmidt number effects are investigated for a series of cases, including λ-dna molecules under shear (using the Marko-Siggia wormlike chain spring law) and Poiseuille flow in microchannels. Effects on the polymer depletion layer, power-law profiles and apparent viscosities are presented as a function of the number of beads per polymer chain.
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.
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. PMID:21280729
Real-time nonequilibrium dynamics of quantum glassy systems
NASA Astrophysics Data System (ADS)
Cugliandolo, Leticia F.; Lozano, Gustavo
1999-01-01
We develop a systematic analytic approach to aging effects in quantum disordered systems in contact with an environment. Within the closed-time path-integral formalism we include dissipation by coupling the system to a set of independent harmonic oscillators that mimic a quantum thermal bath. After integrating over the bath variables and averaging over disorder we obtain an effective action that determines the real-time dynamics of the system. The classical limit yields the Martin-Siggia-Rose generating functional associated to a colored noise. We apply this general formalism to a prototype model related to the p spin glass. We show that the model has a dynamic phase transition separating the paramagnetic from the spin-glass phase and that quantum fluctuations depress the transition temperature until a quantum critical point is reached. We show that the dynamics in the paramagnetic phase is stationary but presents an interesting crossover from a region controlled by the classical critical point to another one controlled by the quantum critical point. The most characteristic property of the dynamics in a glassy phase, namely, aging, survives the quantum fluctuations. In the subcritical region the quantum fluctuation-dissipation theorem is modified in a way that is consistent with the notion of effective temperatures introduced for the classical case. We discuss these results in connection with recent experiments in dipolar quantum spin glasses and the relevance of the effective temperatures with respect to the understanding of the low-temperature dynamics.
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.
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.
Transport signatures of Majorana quantum criticality realized by dissipative resonant tunneling
NASA Astrophysics Data System (ADS)
Zheng, Huaixiu; Florens, Serge; Baranger, Harold U.
2014-06-01
We consider theoretically the transport properties of a spinless resonant electronic level coupled to strongly dissipative leads, in the regime of circuit impedance near the resistance quantum. Using the Luttinger liquid analogy, one obtains an effective Hamiltonian expressed in terms of interacting Majorana fermions, in which all environmental degrees of freedom (leads and electromagnetic modes) are encapsulated in a single fermionic bath. General transport equations for this system are then derived in terms of the Majorana T-matrix. A perturbative treatment of the Majorana interaction term yields the appearance of a marginal, linear dependence of the conductance on temperature when the system is tuned to its quantum critical point, in agreement with recent experimental observations. We investigate in detail the different crossovers involved in the problem, and analyze the role of the interaction terms in the transport scaling functions. In particular, we show that single barrier scaling applies when the system is slightly tuned away from its Majorana critical point, strengthening the general picture of dynamical Coulomb blockade.
Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics.
Petsev, Nikolai D; Leal, L Gary; Shell, M Scott
2016-02-28
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. PMID:26931689
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.
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. PMID:18192357
NASA Astrophysics Data System (ADS)
Shnirman, A.; Saha, A.; Burmistrov, I. S.; Kiselev, M. N.; Altland, A.; Gefen, Y.
2016-03-01
There are two paradigmatic frameworks for treating quantum systems coupled to a dissipative environment: the Caldeira-Leggett and Ambegaokar-Eckern-Schön approaches. Here, we recall the differences between them and explain the consequences of applying each to a zero-dimensional spin (having an SU(2) symmetry) in a dissipative environment (a dissipative quantum dot near or beyond the Stoner instability point).
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.
NASA Astrophysics Data System (ADS)
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.
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. PMID:27419546
Quantum-beat based dissipation for spin squeezing and light entanglement.
Huang, Chen; Hu, Xiangming; Zhang, Yang; Li, Lingchao; Rao, Shi
2016-08-22
We show an engineered dissipation for the spin squeezing and the light entanglement in a quantum beat system, in which two bright fields interact with an ensemble of three-level atoms in V configuration. The dissipation is based on the atom-field nonlinear interaction that is controlled by the atomic coherence between the excited states off two-photon resonance. Physical analysis and numerical verification are presented for the symmetrical parameters by using the dressed atomic states. It is shown that for particular parameters, the engineered dissipation induces almost perfect two-mode squeezing and entanglement both for the bright fields and for the dressed spins. The excited-state spin has squeezing of near 40% below the standard quantum limit although there remains the spontaneous emission from the involved excited states. PMID:27557189
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.
Dynamical structure of magnetized dissipative accretion flow around black holes
NASA Astrophysics Data System (ADS)
Sarkar, Biplob; Das, Santabrata
2016-06-01
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 super-massive black hole sources and the observational implications of our present analysis are discussed.
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.
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.
Dissipation-induced continuous quantum error correction for superconducting circuits
NASA Astrophysics Data System (ADS)
Cohen, Joachim; Mirrahimi, Mazyar
2014-12-01
Quantum error correction (QEC) is a crucial step towards long coherence times required for efficient quantum information processing. One major challenge in this direction concerns the fast real-time analysis of error syndrome measurements and the associated feedback control. Recent proposals on autonomous QEC (AQEC) have opened new perspectives to overcome this difficulty. Here, we design an AQEC scheme based on quantum reservoir engineering adapted to superconducting qubits. We focus on a three-qubit bit-flip code, where three transmon qubits are dispersively coupled to a few low-Q resonator modes. By applying only continuous-wave drives of fixed but well-chosen frequencies and amplitudes, we engineer an effective interaction Hamiltonian to evacuate the entropy created by eventual bit-flip errors. We provide a full analytical and numerical study of the protocol while introducing the main limitations on the achievable error correction rates.
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Lei, Huan; Mundy, Christopher J.; Schenter, Gregory K.; Voulgarakis, Nikolaos K.
2015-05-01
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 use a nanoscale fluid model based on smoothed dissipative particle dynamics that accounts for the phenomena 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 the void probability and solvation free energy of nonpolar hard particles of different sizes. The present fluid model is well suited for an understanding of emergent phenomena in nano-scale fluid systems.
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.
Ion-acoustic vortices in inhomogeneous and dissipative electron-positron-ion quantum magnetoplasmas
NASA Astrophysics Data System (ADS)
Masood, W.; Mirza, Arshad M.; Nargis, Shahida; Ayub, M.
2009-04-01
Linear and nonlinear properties of quantum ion-acoustic waves are studied in a nonuniform, dissipative quantum plasma (composed of electrons, positrons, and ions) with sheared ion flow parallel to the ambient magnetic field, using the quantum hydrodynamic model. It is shown that the shear ion flow parallel to the external magnetic field can drive the quantum ion-acoustic wave unstable provided ∣S∣ky>kz. Stationary solutions of the nonlinear equations that govern the quantum ion-acoustic waves are also obtained. It is found that electrostatic monopolar, dipolar, and vortex street-type solutions can appear in such a plasma. It is observed that the inclusion of positron, quantum statistical, and Bohm potential terms significantly modifies the scale lengths of these nonlinear structures. The relevance of the present investigation with regard to the dense astrophysical environments is also pointed out.
NASA Astrophysics Data System (ADS)
Xue, Liyuan; Yu, Yanxia; Cai, Xiaoya; Pan, Hui; Wang, Zisheng
2016-01-01
We investigate time-dependent Pancharatnam phases and the relations between such geometric phases and quantum correlations, i.e., quantum discord and concurrence, of superconducting two-qubit coupling system in dissipative environment with the mixture effects of four different eigenstates of density matrix. We find that the time-dependent Pancharatnam phases not only keep the motion memory of such a two-qubit system, but also include the information of quantum correlations. We show that the sudden died and alive phenomena of quantum entanglement are intrinsic in the transition of Pancharatnam phase in the X-state and the complex oscillations of Pancharatnam phase in the Y-state. The faster the Pancharatnam phases change, the slower the quantum correlations decay. In particular, we find that a subspace of quantum entanglement can exist in the Y-state by choosing suitable coupling parameters between two-qubit system and its environment, or initial conditions.
Aging dynamics of quantum spin glasses of rotors
NASA Astrophysics Data System (ADS)
Kennett, Malcolm P.; Chamon, Claudio; Ye, Jinwu
2001-12-01
We study the long time dynamics of quantum spin glasses of rotors using the nonequilibrium Schwinger-Keldysh formalism. These models are known to have a quantum phase transition from a paramagnetic to a spin-glass phase, which we approach by looking at the divergence of the spin-relaxation rate at the transition point. In the aging regime, we determine the dynamical equations governing the time evolution of the spin response and correlation functions, and show that all terms in the equations that arise solely from quantum effects are irrelevant at long times under time reparametrization group (RPG) transformations. At long times, quantum effects enter only through the renormalization of the parameters in the dynamical equations for the classical counterpart of the rotor model. Consequently, quantum effects only modify the out-of-equilibrium fluctuation-dissipation relation (OEFDR), i.e. the ratio X between the temperature and the effective temperature, but not the form of the classical OEFDR.
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.
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. PMID:24832301
Distortion and flow of nematics simulated by dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Zhao, Tongyang; Wang, Xiaogong
2014-05-01
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.
Dissipative dynamics of composite domain walls in magnetic nanostrips
NASA Astrophysics Data System (ADS)
Tretiakov, O.; Bazaliy, Ya. B.; Tchernyshyov, O.
2007-03-01
We describe the dynamics of domain walls in thin magnetic nanostrips of submicron width under the action of magnetic field. Once the fast precession of magnetization is averaged out, the dynamics reduces to purely dissipative motion where the system follows the direction of the local energy gradient (Glauber's model A) [1]. We then apply the method of collective coordinates [2] to our variational model of the domain wall [3] reducing the dynamics to the evolution of two collective coordinates (the location of the vortex core). In weak magnetic fields the wall moves steadily. The calculated velocity is in good agreement with the results of numerical simulations (no adjustable parameters were used). In higher fields the steady motion breaks down and acquires an oscillatory character caused by periodic creation and annihilation of topological defects comprising the domain wall [3]. Numerical simulations uncover at least two different modes of oscillation. [1] C. J. Garc'ia-Cervera and W. E, J. Appl. Phys. 90, 370 (2001). [2] A. S'anchez and A. R. Bishop, SIAM Rev. 40, 579 (1998). [3] Preceding talk by O. Tchernyshyov.
Bayesian parametrization of coarse-grain dissipative dynamics models
NASA Astrophysics Data System (ADS)
Dequidt, Alain; Solano Canchaya, Jose G.
2015-08-01
We introduce a new bottom-up method for the optimization of dissipative coarse-grain models. The method is based on Bayesian optimization of the likelihood to reproduce a coarse-grained reference trajectory obtained from analysis of a higher resolution molecular dynamics trajectory. This new method is related to force matching techniques, but using the total force on each grain averaged on a coarse time step instead of instantaneous forces. It has the advantage of not being limited to pairwise short-range interactions in the coarse-grain model and also yields an estimation of the friction parameter controlling the dynamics. The theory supporting the method is exposed in a practical perspective, with an analytical solution for the optimal set of parameters. The method was first validated by using it on a system with a known optimum. The new method was then tested on a simple system: n-pentane. The local molecular structure of the optimized model is in excellent agreement with the reference system. An extension of the method allows to get also an excellent agreement for the equilibrium density. As for the dynamic properties, they are also very satisfactory, but more sensitive to the choice of the coarse-grain representation. The quality of the final force field depends on the definition of the coarse grain degrees of freedom and interactions. We consider this method as a serious alternative to other methods like iterative Boltzmann inversion, force matching, and Green-Kubo formulae.
Quantum effects and the dissipation by quasiparticle tunneling in arrays of Josephson junctions
Kampf, A.; Schoen, G.
1987-09-01
We investigate the influence of dissipative quasiparticle tunneling currents on quantum effects and phase transitions in d-dimensional arrays of Josephson junctions. We show how the dissipative phase transition, which is known from single junctions at zero temperature, is modified due to the multidimensional coupling. The transition depends on the strength of the dissipation but also on the ratio of Josephson coupling energy to the capacitive charging energy e/sup 2//2C. It separates an ordered (superconducting) regime from a disordered (resistive) regime where fluctuations prevent phase coherence. In arrays with small capacitance junctions and weak dissipation, the disordered phase persists down to zero temperature. Finite temperatures modify the phase diagram significantly. A reentrant transition between a resistive and a superconducting state is found for weak dissipation. We also make contact with the familiar phase transitions of d-dimensional XY models and show how the charging energy and dissipation in Josephson-junction arrays influence these transitions. The results are of relevance for granular superconductors.
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.
Dynamical many-body phases of the parametrically driven, dissipative Dicke model
NASA Astrophysics Data System (ADS)
Chitra, R.; Zilberberg, O.
2015-08-01
Control and manipulation of quantum engineered systems allows for the utilization of time-dependent parametric modulations for accessing novel out-of-equilibrium phenomena. In the absence of such driving, the dissipative Dicke model exhibits a fascinating out-of-equilibrium many-body phase transition as a function of a coupling between a driven photonic cavity and numerous two-level atoms. We study the effect of a parametric modulation of this coupling and discover a rich phase diagram as a function of the modulation strength. We find that in addition to the established normal and super-radiant phases, a new phase with pulsed superradiance, which we term dynamical normal phase, appears when the system is parametrically driven. Employing different methods, we characterize the different phases and the transitions between them. Specific heed is paid to the role of dissipation in determining the phase boundaries. Our analysis paves the road for the experimental study of dynamically stabilized phases of interacting light and matter.
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
NASA Astrophysics Data System (ADS)
Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott
2015-01-01
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.
Dissipative preparation of multibody entanglement via quantum feedback control
NASA Astrophysics Data System (ADS)
Song, Jie; Xia, Yan; Sun, Xiu-Dong; Song, He-Shan
2012-09-01
We investigate the generation of a multibody Dicke state in a coupled cavity system subject to environmental noise. Based on quantum feedback control, cavity decay may play a constructive role in obtaining the intended state. The required interaction time need not be accurately controlled. In addition, the feedback operations are only applied to a single atom in one cavity during the whole evolution process, and it is not necessary to change the control strategy as the number of atoms increases. Thus, our proposal can exploit the core advantage of coupled cavities to implement a scalable control scheme for preparing multibody entanglement.
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. PMID:11031530
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
NASA Technical Reports Server (NTRS)
Kelkar, Atul G.; Joshi, Suresh M.; Alberts, Thomas E.
1993-01-01
The stability characteristics of dynamic dissipative compensators are investigated for multibody flexible space structures having nonlinear dynamics. The problem addressed is that of proving asymptotic stability of dynamic dissipative compensators. The stability proof uses the Liapunov approach and exploits the inherent passivity of such systems. For such systems these compensators are shown to be robust to parametric uncertainties and unmodeled dynamics. The results are applicable to a large class of structures such as flexible space structures with articulated flexible appendages.
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.
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
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
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.
Entanglement dynamics and decoherence of an atom coupled to a dissipative cavity field
NASA Astrophysics Data System (ADS)
Akhtarshenas, S. J.; Khezrian, M.
2010-04-01
In this paper, we investigate the entanglement dynamics and decoherence in the interacting system of a strongly driven two-level atom and a single mode vacuum field in the presence of dissipation for the cavity field. Starting with an initial product state with the atom in a general pure state and the field in a vacuum state, we show that the final density matrix is supported on {mathbb C}^2⊗{mathbb C}^2 space, and therefore, the concurrence can be used as a measure of entanglement between the atom and the field. The influences of the cavity decay on the quantum entanglement of the system are also discussed. We also examine the Bell-CHSH violation between the atom and the field and show that there are entangled states for which the Bell-BCSH inequality is not violated. Using the above system as a quantum channel, we also investigate the quantum teleportation of a generic qubit state and also a two-qubit entangled state, and show that in both cases the atom-field entangled state can be useful to teleport an unknown state with fidelity better than any classical channel.
Comment on 'Temperature dependence of the energy dissipation in dynamic force microscopy'.
Burke, S A; Grütter, P
2008-10-01
A recent article in this journal by Roll et al (2008 Nanotechnology 19 045703) presents experimental results of the temperature dependence of dissipation in dynamic force microscopy which they use to elucidate the mechanisms of such a dissipation signal in the PTCDA on KBr system. We argue here that dissipation results are often highly dependent upon the tip structure, and urge caution in the interpretation of single sets of experimental data. PMID:21832607
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.
Linear interfacial polymerization: theory and simulations with dissipative particle dynamics.
Berezkin, Anatoly V; Kudryavtsev, Yaroslav V
2014-11-21
Step-growth alternating interfacial polymerization between two miscible or immiscible monomer melts is investigated theoretically and by dissipative particle dynamics simulations. In both cases the kinetics for an initially bilayer system passes from the reaction to diffusion control. The polymer composed of immiscible monomers precipitates at the interface forming a film of nearly uniform density. It is demonstrated that the reaction proceeds in a narrow zone, which expands much slower than the whole film, so that newly formed polymer is extruded from the reaction zone. This concept of "reactive extrusion" is used to analytically predict the degree of polymerization and distribution of all components (monomers, polymer, and end groups) within the film in close agreement with the simulations. Increasing the comonomer incompatibility leads to thinner and more uniform films with the higher average degree of polymerization. The final product is considerably more polydisperse than expected for the homogeneous step-growth polymerization. The results extend the previous theoretical reports on interfacial polymerization and provide new insights into the internal film structure and polymer characteristics, which are important for membrane preparation, microencapsulation, and 3D printing technologies. A systematic way of mapping the simulation data onto laboratory scales is discussed. PMID:25416911
The interactions between surfactants and vesicles: Dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Huang, Kuei-Chun; Lin, Chun-Min; Tsao, Heng-Kwong; Sheng, Yu-Jane
2009-06-01
The interactions between surfactants and vesicles formed by double-tail amphiphiles are investigated by the dissipative particle dynamics. As the surfactant concentration is increased, vesicle solubilization can be generally described by the three-stage hypothesis including vesicular region, vesicle-micelle coexistence, and mixed micellar region. We study the partition of surfactants between the bilayer phase and the aqueous phase where a higher value of K indicates that more surfactant molecules are incorporated in the bilayer. It is found that ln(K-1) is proportional to the hydrophile-lipophile balance (HLB), which depicts the degree of hydrophilicity associated with a surfactant. As the overall hydrophilicity of surfactants increases, i.e., higher HLB, K declines and vice versa. When the amounts of surfactants reach a critical point, the solubilization begins and the coexistence of vesicles and mixed micelles is observed. Further increase in the surfactant concentration results in total collapse of the vesicle. Consistent with experimental observations, the three stages are identified through the vesicle size-surfactant concentration relation. Our simulations clearly demonstrate the process of the vesicle solubilization and confirm the validity of the three-stage hypothesis.
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.
Modeling Proton Dissociation and Transfer Using Dissipative Particle Dynamics Simulation.
Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V
2015-09-01
We suggest a coarse-grained model for dissipative particle dynamics (DPD) simulations of solutions with dissociated protons. The model uses standard short-range soft repulsion and smeared charge electrostatic potentials between the beads, representing solution components. The proton is introduced as a separate charged bead that forms dissociable bonds with proton receptor base beads, such as water or deprotonated acid anions. The proton-base bonds are described by Morse potentials. When the proton establishes the Morse bonds with two bases, they form an intermediate complex, and the proton is able to "hop" between the bases artificially mimicking the Grotthuss diffusion mechanism. By adjusting the Morse potential parameters, one can regulate the potential barrier associated with intermediate complex formation and breakup and control the hopping frequency. This makes the proposed model applicable to simulations of proton mobility and reaction equilibria between protonated and deprotonated acid forms in aqueous solutions. The proposed model provides quantitative agreement with experiments for the proton self-diffusion coefficient and hopping frequency, as well as for the degree of dissociation of benzenesulfonic acid. PMID:26575931
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.
Comprehensive boundary method for solid walls in dissipative particle dynamics
Visser, D.C. . E-mail: visser@science.uva.nl; Hoefsloot, H.C.J.; Iedema, P.D. . E-mail: piet@science.uva.nl
2005-05-20
Dissipative particle dynamics (DPD) is a particle-based mesoscopic simulation technique, especially useful to study hydrodynamic behaviour in the field of complex fluid flow. Most studies with DPD have focused on bulk behaviour by considering a part of an infinite region using periodic boundaries. To model a finite system instead, boundary conditions of the solid walls confining the system must be addressed. These conditions depend on the time and length scales of phenomena studied, i.e., the level of coarse graining. Here we focus on a mesoscopic level at which small scale atomistic effects near the wall are no longer visible. At this, more macroscopic, level a solid wall should be impenetrable, show no-slip and should not affect the fluid properties. Solid walls used in previous studies were unable to meet all three these conditions or met them with limited success. Here, we describe a method to create solid walls that does satisfy all requirements, producing the correct boundary conditions. The introduction of periodic conditions for curved boundaries makes this new wall method fit for curved geometries as well. And, an improved reflection mechanism makes the walls impenetrable without causing side effects. The method described here could also be implemented in other particle-based models.
Velocity and stress autocorrelation decay in isothermal dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Chaudhri, Anuj; Lukes, Jennifer R.
2010-02-01
The velocity and stress autocorrelation decay in a dissipative particle dynamics ideal fluid model is analyzed in this paper. The autocorrelation functions are calculated at three different friction parameters and three different time steps using the well-known Groot/Warren algorithm and newer algorithms including self-consistent leap-frog, self-consistent velocity Verlet and Shardlow first and second order integrators. At low friction values, the velocity autocorrelation function decays exponentially at short times, shows slower-than exponential decay at intermediate times, and approaches zero at long times for all five integrators. As friction value increases, the deviation from exponential behavior occurs earlier and is more pronounced. At small time steps, all the integrators give identical decay profiles. As time step increases, there are qualitative and quantitative differences between the integrators. The stress correlation behavior is markedly different for the algorithms. The self-consistent velocity Verlet and the Shardlow algorithms show very similar stress autocorrelation decay with change in friction parameter, whereas the Groot/Warren and leap-frog schemes show variations at higher friction factors. Diffusion coefficients and shear viscosities are calculated using Green-Kubo integration of the velocity and stress autocorrelation functions. The diffusion coefficients match well-known theoretical results at low friction limits. Although the stress autocorrelation function is different for each integrator, fluctuates rapidly, and gives poor statistics for most of the cases, the calculated shear viscosities still fall within range of theoretical predictions and nonequilibrium studies.
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.
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.
Entropic dynamics: From entropy and information geometry to Hamiltonians and quantum mechanics
NASA Astrophysics Data System (ADS)
Caticha, Ariel; Bartolomeo, Daniel; Reginatto, Marcel
2015-01-01
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.
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.
Dissipative neutral mass flow and quantum phase slips in one dimension
NASA Astrophysics Data System (ADS)
Del Maestro, Adrian
2015-03-01
Motivated by experimental progress towards confining bosonic quantum fluids inside nanoscale constrictions, we have determined how quantum phase fluctuations of the superfluid order parameter modify neutral mass transport through a one dimensional channel open to vacuum. In the one dimensional limit, dissipation occurs in the guise of phase slips which may be nucleated due to the presence of impurity scattering, disorder, or a periodic potential. By combining equilibrium quantum Monte Carlo simulations with non-equilibrium calculations in the framework of Luttinger liquid theory, we have computed the relationship between the applied pressure and resistive mass flow for a one dimensional quantum fluid of neutral bosons. Understanding the temperature dependence of the resulting nonlinear pressure-flow behavior may be essential for the interpretation of quasi-1D superfluid flow experiments on helium-4.
NASA Astrophysics Data System (ADS)
Rouhani, M. R.; Mohammadi, Z.; Akbarian, A.
2014-01-01
The behavior of quantum dust ion-acoustic (QDIA) shocks in a plasma including inertialess quantum electrons and positrons, classical cold ions and stationary negative dust grains are studied, using a quantum hydrodynamic model (QHD). The effect of dissipation due to the viscosity of ions is taken into account. The propagation of small but finite amplitude QDIA shocks is governed by the Kortoweg-de Vries-Burgers (KdVB) equation. The existence regions of oscillatory and monotonic shocks will depend on the quantum diffraction parameter ( H) and dust density ( d) as well as dissipation parameter ( η 0). The effect of plasma parameters ( d, H, η 0), on these structures is investigated. Results indicate that the thickness and height of monotonic shocks; oscillation amplitude of the oscillatory shock wave and it's wavelength effectively are affected by these parameters. Additionally, the possibility of propagation of both compressive and rarefactive shocks is investigated. It is found that depending on some critical value of dust density ( d c ), which is a function of H, compressive and rarefactive shock waves can't propagate in model plasma. The present theory is applicable to analyze the formation of nonlinear structures at quantum scales in dense astrophysical objects.
Dissipative particle dynamics simulation of a colloidal micropump
NASA Astrophysics Data System (ADS)
De Palma, Pietro; Valentini, P.; Napolitano, M.
2006-02-01
Dissipative particle dynamics (DPD) is a recently developed model for computing complex fluid flows at mesoscopic scales. This article provides a novel DPD simulation of complex microfluidic devices involving the momentum exchange between a body moving with a prescribed law of motion and the surrounding fluid. To this purpose, a DPD computational method is developed and equipped with an elastic collision model between the moving body and the DPD fluid particles surrounding it. The method is first validated versus well known theoretical, numerical, and experimental results, providing a sensitivity analysis of the dependence of continuum-flow properties on DPD parameters, as well as verifying its reliability for well known continuum-flow test cases. The method is then applied to its main goal, namely, the simulation of the flow driven by a peristaltic micropump, constructed by assembling several colloidal spheres. The DPD fluid model provides quite accurate results with respect to the experimental data and gives a detailed description of local flow properties. It is found that a careful choice of the DPD parameters is needed to avoid spurious compressibility effects and to match the real fluid characteristics; furthermore, due to the very coarse graining used in the present simulation, the thermal kinetic energy of the DPD particles needs to be reduced, in order to correctly evaluate their displacement, which is determined mainly by the momentum driving the flow. Finally, thanks to such a very coarse graining, the proposed DPD method provides an accurate prediction of local mesoscale flow properties with a dramatic reduction of the computational cost with respect to molecular dynamics simulations.
Parametrization of Chain Molecules in Dissipative Particle Dynamics.
Lee, Ming-Tsung; Mao, Runfang; Vishnyakov, Aleksey; Neimark, Alexander V
2016-06-01
This paper presents a consistent strategy for parametrization of coarse-grained models of chain molecules in dissipative particle dynamics (DPD), where the soft-core DPD interaction parameters are fitted to the activities in solutions of reference compounds that represent different fragments of target molecules. The intercomponent parameters are matched either to the infinite dilution activity coefficients in binary solutions or to the solvent activity in polymer solutions. The respective calibration relationships between activity and intercomponent interaction parameter are constructed from the results of Monte Carlo simulation of the coarse-grained solutions of reference compounds. The chain conformation is controlled by the near neighbor and second neighbor bond potentials, which are parametrized by fitting the intramolecular radial distribution functions of the coarse-grained chains to the respective atomistic molecular dynamics simulations. The consistency, accuracy, and transferability of the proposed parametrization strategy is demonstrated drawing on the example of nonionic surfactants of the poly(ethylene oxide) alkyl ether (CnEm) family. The lengths of tail and head sequences are varied (n = 8-12 and m = 3-9), so that the critical micelle concentration ranges from 10 to 0.1 mM. The surfactants are modeled at different coarse-graining levels using DPD beads of different diameters. We found consistent agreement with experimental data for the critical micelle concentration and aggregation number, especially for surfactants with relatively long hydrophilic segments. Depending on the system, we observed surfactant aggregation into spheroidal, elongated, or core-shell micelles, as well as into irregular agglomerates. Using the models at different coarse-graining levels for the same molecules, we found that the smaller the bead size the better is agreement with experimental data. PMID:27167160
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 dynamics at finite temperature: Time-dependent quantum Monte Carlo study
NASA Astrophysics Data System (ADS)
Christov, Ivan P.
2016-08-01
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.
Long-distance quantum transport dynamics in macromolecules
NASA Astrophysics Data System (ADS)
Schneider, E.; Faccioli, P.
2014-04-01
Using renormalization group methods, we develop a rigorous coarse-grained representation of the dissipative dynamics of quantum excitations propagating inside open macromolecular systems. We show that, at very low spatial resolution, this quantum transport theory reduces to a modified Brownian process, in which quantum delocalization effects are accounted for by means of an effective term in the Onsager-Machlup functional. Using this formulation, we derive a simple analytic solution for the time-dependent probability of observing the quantum excitation at a given point in the macromolecule. This formula can be used to predict the migration of natural or charged quantum excitations in a variety of molecular systems, including biological and organic polymers, organic crystalline transistors, or photosynthetic complexes. For illustration purposes, we apply this method to investigate inelastic electronic hole transport in a long homo-DNA chain.
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.
Quantum Kibble-Zurek physics in the presence of spatially correlated dissipation
NASA Astrophysics Data System (ADS)
Nalbach, P.; Vishveshwara, Smitha; Clerk, Aashish A.
2015-07-01
We study how the universal properties of quantum quenches across critical points are modified by a weak coupling to a thermal bath, focusing on the paradigmatic case of the transverse field Ising model. Beyond the standard quench-induced Kibble-Zurek defect production in the absence of the bath, the bath contributes extra thermal defects. We show that spatial correlations in the noise produced by the bath can play a crucial role: one obtains quantitatively different scaling regimes depending on whether the correlation length of the noise is smaller or larger than the Kibble-Zurek length associated with the quench speed, and the thermal length set by the temperature. For the case of spatially correlated bath noise, additional thermal defect generation is restricted to a window that is both quantum critical and excluded from the nonequilibrium regime surrounding the critical point. We map the dissipative quench problem to a set of effectively independent dissipative Landau-Zener problems. Using this mapping along with both analytic and numerical calculations allows us to find the scaling of the excess defect density produced in the quench, and it suggests a generic picture for such dissipative quenches.
Efficiencies of two-level weak dissipation quantum Carnot engines at the maximum power output
NASA Astrophysics Data System (ADS)
Guo, Juncheng; Wang, Junyi; Wang, Yuan; Chen, Jincan
2013-04-01
A weak-dissipation cycle model of two-level quantum Carnot engines is proposed by adopting a generic energy spectrum and the superposition effect of quantum systems. Expressions for the power output and efficiency of the cycle are derived. The optimal relation between the power output and the efficiency is obtained and the optimally operating region of the cycle is determined. Moreover, analytical expression for the efficiency of the cycle at the maximum power output is deduced and the lower and upper bounds of the efficiency at the maximum power output are given. The results obtained are general and can be directly used to discuss the optimal performance characteristics of several types of two-level quantum Carnot engines.
Low-dissipation 7.4-µm single-mode quantum cascade lasers without epitaxial regrowth.
Briggs, Ryan M; Frez, Clifford; Fradet, Mathieu; Forouhar, Siamak; Blanchard, Romain; Diehl, Laurent; Pflügl, Christian
2016-06-27
We report continuous-wave operation of single-mode quantum cascade (QC) lasers emitting near 7.4 µm with threshold power consumption below 1 W at temperatures up to 40 °C. The lasers were fabricated with narrow, plasma-etched waveguides and distributed-feedback sidewall gratings clad with sputtered aluminum nitride. In contrast to conventional buried-heterostructure (BH) devices with epitaxial sidewall cladding and in-plane gratings, the devices described here were fabricated without any epitaxial regrowth processes, yet they exhibit power consumption comparable to the lowest-dissipation BH QC lasers reported to date. These low-dissipation devices are designed primarily as light sources for infrared spectroscopy instruments with limited volume, mass, and power budgets. PMID:27410611
Statistics of energy dissipation in a quantum dot operating in the cotunneling regime
NASA Astrophysics Data System (ADS)
Dinaii, Yehuda; Shnirman, Alexander; Gefen, Yuval
2014-11-01
At Coulomb blockade valleys inelastic cotunneling processes generate particle-hole excitations in quantum dots (QDs), and lead to energy dissipation. We have analyzed the probability distribution function (PDF) of energy dissipated in a QD due to such processes during a given time interval. We obtained analytically the cumulant generating function, and extracted the average, variance, and Fano factor. The latter diverges as T3/(eV ) 2 at bias e V smaller than the temperature T , and reaches the value 3 e V /5 in the opposite limit. The PDF is further studied numerically. As expected, the Crooks fluctuation relation is not fulfilled by the PDF. Our results can be verified experimentally utilizing transport measurements of charge.
NASA Astrophysics Data System (ADS)
Asimakopoulos, Aristotelis
While some of the deepest results in nature are those that give explicit bounds between important physical quantities, some of the most intriguing and celebrated of such bounds come from fields where there is still a great deal of disagreement and confusion regarding even the most fundamental aspects of the theories. For example, in quantum mechanics, there is still no complete consensus as to whether the limitations associated with Heisenberg's Uncertainty Principle derive from an inherent randomness in physics, or rather from limitations in the measurement process itself, resulting from phenomena like back action. Likewise, the second law of thermodynamics makes a statement regarding the increase in entropy of closed systems, yet the theory itself has neither a universally-accepted definition of equilibrium, nor an adequate explanation of how a system with underlying microscopically Hamiltonian dynamics (reversible) settles into a fixed distribution. Motivated by these physical theories, and perhaps their inconsistencies, in this thesis we use dynamical systems theory to investigate how the very simplest of systems, even with no physical constraints, are characterized by bounds that give limits to the ability to make measurements on them. Using an existing interpretation, we start by examining how dissipative systems can be viewed as high-dimensional lossless systems, and how taking this view necessarily implies the existence of a noise process that results from the uncertainty in the initial system state. This fluctuation-dissipation result plays a central role in a measurement model that we examine, in particular describing how noise is inevitably injected into a system during a measurement, noise that can be viewed as originating either from the randomness of the many degrees of freedom of the measurement device, or of the environment. This noise constitutes one component of measurement back action, and ultimately imposes limits on measurement uncertainty
Dynamic optimization methodology based on subgrid-scale dissipation for large eddy simulation
NASA Astrophysics Data System (ADS)
Yu, Changping; Xiao, Zuoli; Li, Xinliang
2016-01-01
A dynamic procedure based on subgrid-scale dissipation is proposed for large eddy simulation of turbulent flows. In the new method, the model coefficients are determined by minimizing the square error of the resolved dissipation rate based on the Germano identity. A dynamic two-term mixed model is tested and evaluated both a priori and a posteriori in simulations of homogeneous and isotropic turbulence. The new dynamic procedure proves to be more effective to optimize the model coefficients as compared with traditional method. The corresponding dynamic mixed model can predict the physical quantities more accurately than traditional dynamic mixed model.
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.
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
Dissipative controller designs for second-order dynamic systems
NASA Technical Reports Server (NTRS)
Morris, K. A.; Juang, J. N.
1990-01-01
The passivity theorem may be used to design robust controllers for structures with positive transfer functions. This result is extended to more general configurations using dissipative system theory. A stability theorem for robust, model-independent controllers of structures which lack collocated rate sensors and actuators is given. The theory is illustrated for non-square systems and systems with displacement sensors.
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. PMID:25871030
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.
The damped Pinney equation and its applications to dissipative quantum mechanics
NASA Astrophysics Data System (ADS)
Haas, F.
2010-02-01
The present work considers the damped Pinney equation, defined as the model arising when a linear in velocity damping term is included in the Pinney equation. In the general case, the resulting equation does not admit Lie point symmetries or reduction to a simpler form by any obvious coordinate transformation. In this context, the method of Kuzmak-Luke is applied to derive a perturbation solution, for weak damping and slow time dependence of the frequency function. The perturbative and numerical solutions are shown to be in good agreement. The results are applied to examine the time evolution of Gaussian-shaped wave functions in the Kostin formulation of dissipative quantum mechanics.
Energy dissipation in small-scale shape-change dynamics.
Gammaitoni, L
2012-02-01
Shape is an important feature of physical systems, although very seldom is it addressed in the framework of a quantitative description approach. In this paper we propose to interpret the shape of things as a physical manifestation of the content of information associated with each thing and show that a change of shape in a physical system is necessarily connected with a change of its entropy and thus involves energy. We estimate the amount of energy dissipated during a shape change and propose experimental tests to be performed in nanoscale systems to verify this prediction by measuring the expected dissipation in a few simple cases. Relevant implications in the design of future zero-power logic switches are discussed. PMID:22463138
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.
Effects of f(R) Model on Dynamics of Axial Shear-Free Dissipative Fluids
NASA Astrophysics Data System (ADS)
Sharif, M.; Zunaira, Nasir
2016-04-01
We present a general analysis on non-static axial system with dissipative shear-free anisotropic fluid using polynomial inflationary f(R) model. We study the effects of dissipation on the dynamics of geodesic matter distribution. This leads the system either to rotation-free or expansion-free but not both simultaneously under geodesic condition. It is found that the system preserves its symmetry in both cases. For the rotation-free case, when there is no dissipation and Ricci scalar is constant, the axial system reduces to FRW universe model. This is exactly the same result obtained in general relativity.
NASA Astrophysics Data System (ADS)
de Almeida, N. G.; Moussa, M. H. Y.; Napolitano, R. d. J.
2011-08-01
In a previous paper, we developed a phenomenological-operator technique aiming to simplify the estimate of losses due to dissipation in cavity quantum electrodynamics. In this paper, we apply that technique to estimate losses during an entanglement concentration process in the context of dissipative cavities. In addition, some results, previously used without proof to justify our phenomenological-operator approach, are now formally derived, including an equivalent way to formulate the Wigner-Weisskopf approximation.
Dissipative Dynamics of Superfluid Vortices at Nonzero Temperatures
Berloff, Natalia G.; Youd, Anthony J.
2007-10-05
We consider the evolution and dissipation of vortex rings in a condensate at nonzero temperatures in the context of the classical field approximation, based on the defocusing nonlinear Schroedinger equation. The temperature in such a system is fully determined by the total number density and the number density of the condensate. The collisions with noncondensed particles reduce the radius of a vortex ring until it completely disappears. We obtain a universal decay law for a vortex line length and relate it to mutual friction coefficients in the fundamental equation of vortex motion in superfluids.
Stochastic Quantum Gas Dynamics
NASA Astrophysics Data System (ADS)
Proukakis, Nick P.; Cockburn, Stuart P.
2010-03-01
We study the dynamics of weakly-interacting finite temperature Bose gases via the Stochastic Gross-Pitaevskii equation (SGPE). As a first step, we demonstrate [jointly with A. Negretti (Ulm, Germany) and C. Henkel (Potsdam, Germany)] that the SGPE provides a significantly better method for generating an equilibrium state than the number-conserving Bogoliubov method (except for low temperatures and small atom numbers). We then study [jointly with H. Nistazakis and D.J. Frantzeskakis (University of Athens, Greece), P.G.Kevrekidis (University of Massachusetts) and T.P. Horikis (University of Ioannina, Greece)] the dynamics of dark solitons in elongated finite temperature condensates. We demonstrate numerical shot-to-shot variations in soliton trajectories (S.P. Cockburn et al., arXiv:0909.1660.), finding individual long-lived trajectories as in experiments. In our simulations, these variations arise from fluctuations in the phase and density of the underlying medium. We provide a detailed statistical analysis, proposing regimes for the controlled experimental demonstration of this effect; we also discuss the extent to which simpler models can be used to mimic the features of ensemble-averaged stochastic trajectories.
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.
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
Modeling and Bio molecular Self-assembly via Molecular Dynamics and Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Rakesh, L.
2009-09-01
Surfactants like materials can be used to increase the solubility of poorly soluble drugs in water and to increase drug bioavailability. A typical case study will be demonstrated using DPD simulation to model the distribution of anti-inflammatory drug molecules. Computer simulation is a convenient approach to understand drug distribution and solubility concepts without much wastage and costly experiments in the laboratory. Often in molecular dynamics (MD) the atoms are represented explicitly and the equation of motion as described by Newtonian dynamics is integrated explicitly. MD has been used to study spontaneous formation of micelles by hydrophobic molecules with amphiphilic head groups in bulk water, as well as stability of pre-configured micelles and membranes. DPD is a state-of the- art mesoscale simulation, it is a more recent molecular dynamics technique, originally developed for simulating complex fluids but lately also applied to membrane dynamics, hemodynamic in biomedical applications. Such fluids pervade industrial research from paints to pharmaceuticals and from cosmetics to the controlled release of drugs. Dissipative particle dynamics (DPD) can provide structural and dynamic properties of fluids in equilibrium, under shear or confined to narrow cavities, at length- and time-scales beyond the scope of traditional atomistic molecular dynamics simulation methods. Mesoscopic particles are used to represent clusters of molecules. The interaction conserves mass and momentum and as a consequence the dynamics is consistent with Navier-Stokes equations. In addition to the conservative forces, stochastic drive and dissipation is introduced to represent internal degrees of freedom in the mesoscopic particles. In this research, an initial study is being conducted using the aqueous solubilization of the nonsteroidal, anti-inflammatory drug is studied theoretically in micellar solution of nonionic (dodecyl hexa(ethylene oxide), C12E6) surfactants possessing the
Note on entropies for quantum dynamical systems.
Watanabe, Noboru
2016-05-28
Quantum entropy and channel are fundamental concepts for quantum information theory progressed recently in various directions. We will review the fundamental aspects of mean entropy and mean mutual entropy and calculate them for open system dynamics. PMID:27091165
Radiation from quantum weakly dynamical horizons in loop quantum gravity.
Pranzetti, Daniele
2012-07-01
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. PMID:23031096
Quantum dynamics in dual spaces
Sudarshan, E.C.G.
1993-12-31
Quantum mechanics gives us information about spectra of dynamical variables and transition rates including scattering cross sections. They can be exhibited as spectral information in analytically continued spaces and their duals. Quantum mechanics formulated in these generalized spaces is used to study scattering and time evolution. It is shown that the usual asymptotic condition is inadequate to deal with scattering of composite or unstable particles. Scattering theory needs amendment when the interacting system is not isospectral with the free Hamiltonian, and the amendment is formulated. Perturbation theory in generalized spaces is developed and used to study the deletion and augmentation of the spectrum of the Hamiltonian. A complete set of algebraically independent constants for an interacting system is obtained. The question of the breaking of time symmetry is discussed.
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.
Ergodicity and mixing in quantum dynamics.
Zhang, Dongliang; Quan, H T; Wu, Biao
2016-08-01
After a brief historical review of ergodicity and mixing in dynamics, particularly in quantum dynamics, we introduce definitions of quantum ergodicity and mixing using the structure of the system's energy levels and spacings. Our definitions are consistent with the usual understanding of ergodicity and mixing. Two parameters concerning the degeneracy in energy levels and spacings are introduced. They are computed for right triangular billiards and the results indicate a very close relation between quantum ergodicity (mixing) and quantum chaos. At the end, we argue that, besides ergodicity and mixing, there may exist a third class of quantum dynamics which is characterized by a maximized entropy. PMID:27627289
Dynamics of entanglement transfer through multipartite dissipative systems
Lopez, C. E.; Retamal, J. C.; Romero, G.
2010-06-15
We study the dynamics of entanglement transfer in a system composed of two initially correlated three-level atoms, each located in a cavity interacting with its own reservoir. Instead of tracing out reservoir modes to describe the dynamics using the master equation approach, we consider explicitly the dynamics of the reservoirs. In this situation, we show that the entanglement is completely transferred from atoms to reservoirs. Although the cavities mediate this entanglement transfer, we show that under certain conditions, no entanglement is found in cavities throughout the dynamics. Considering the entanglement dynamics of interacting and noninteracting bipartite subsystems, we found time windows where the entanglement can only flow through interacting subsystems, depending on the system parameters.
Causal dissipation and shock profiles in the relativistic fluid dynamics of pure radiation.
Freistühler, Heinrich; Temple, Blake
2014-06-01
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
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
Investigating non-Markovian dynamics of quantum open systems
NASA Astrophysics Data System (ADS)
Chen, Yusui
Quantum open system coupled to a non-Markovian environment has recently attracted widespread interest for its important applications in quantum information processing and quantum dissipative systems. New phenomena induced by the non-Markovian environment have been discovered in variety of research areas ranging from quantum optics, quantum decoherence to condensed matter physics. However, the study of the non-Markovian quantum open system is known a difficult problem due to its technical complexity in deriving the fundamental equation of motion and elusive conceptual issues involving non-equilibrium dynamics for a strong coupled environment. The main purpose of this thesis is to introduce several new techniques of solving the quantum open systems including a systematic approach to dealing with non-Markovian master equations from a generic quantum-state diffusion (QSD) equation. In the first part of this thesis, we briefly introduce the non-Markovian quantum-state diffusion approach, and illustrate some pronounced non-Markovian quantum effects through numerical investigation on a cavity-QED model. Then we extend the non-Markovian QSD theory to an interesting model where the environment has a hierarchical structure, and find out the exact non-Markovian QSD equation of this model system. We observe the generation of quantum entanglement due to the interplay between the non-Markovian environment and the cavity. In the second part, we show an innovative method to obtain the exact non-Markovian master equations for a set of generic quantum open systems based on the corresponding non-Markovian QSD equations. Multiple-qubit systems and multilevel systems are discussed in details as two typical examples. Particularly, we derive the exact master equation for a model consisting of a three-level atom coupled to an optical cavity and controlled by an external laser field. Additionally, we discuss in more general context the mathematical similarity between the multiple
Coarse-Grained Molecular Dynamics: Dissipation Due to Internal Modes
Rudd, R E
2001-12-21
We describe progress on the issue of pathological elastic wave reflection in atomistic and multiscale simulation. First we briefly review Coarse-Grained Molecular Dynamics (CGMD). Originally CGMD was formulated as a Hamiltonian system in which energy is conserved. This formulation is useful for many applications, but recently CGMD has been extended to include generalized Langevin forces. Here we describe how Langevin dynamics arise naturally in CGMD, and we examine the implication for elastic wave scattering.
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.
Quantum dynamical framework for Brownian heat engines.
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. PMID:23944437
Classical dynamics of quantum entanglement.
Casati, Giulio; Guarneri, Italo; Reslen, Jose
2012-03-01
We analyze numerically the dynamical generation of quantum entanglement in a system of two interacting particles, started in a coherent separable state, for decreasing values of ℏ. As ℏ→0 the entanglement entropy, computed at any finite time, converges to a finite nonzero value. The limit law that rules the time dependence of entropy is well reproduced by purely classical computations. Its general features can be explained by simple classical arguments, which expose the different ways entanglement is generated in systems that are classically chaotic or regular. PMID:22587162
Quantum Dynamics of a Harmonic Oscillator in a Defomed Bath in the Presence of Lamb Shift
NASA Astrophysics Data System (ADS)
Daeimohamad, M.; Mohammadi, M.
2012-10-01
In this paper, we investigate the dissipative quantum dynamics of a harmonic oscillator in the presence a deformed bath by considering the Lamb shift term. The deformed bath is modelled by a collection of deformed quantum harmonic oscillators as a generalization of Hopfield model. The Langevin equation for both the photon number and the fluctuation spectrum under the Weisskopf-Winger approximation are obtained and discussed.
Parra-Rivas, P; Gomila, D; Matías, M A; Colet, P; Gelens, L
2016-01-01
We have reported in Phys. Rev. Lett. 110, 064103 (2013)PRLTAO0031-900710.1103/PhysRevLett.110.064103 that in systems which otherwise do not show oscillatory dynamics, the interplay between pinning to a defect and pulling by drift allows the system to exhibit excitability and oscillations. Here we build on this work and present a detailed bifurcation analysis of the various dynamical instabilities that result from the competition between a pulling force generated by the drift and a pinning of the solitons to spatial defects. We show that oscillatory and excitable dynamics of dissipative solitons find their origin in multiple codimension-2 bifurcation points. Moreover, we demonstrate that the mechanisms leading to these dynamical regimes are generic for any system admitting dissipative solitons. PMID:26871077
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.
Slow and long-ranged dynamical heterogeneities in dissipative fluids.
Avila, Karina E; Castillo, Horacio E; Vollmayr-Lee, Katharina; Zippelius, Annette
2016-06-28
A two-dimensional bidisperse granular fluid is shown to exhibit pronounced long-ranged dynamical heterogeneities as dynamical arrest is approached. Here we focus on the most direct approach to study these heterogeneities: we identify clusters of slow particles and determine their size, Nc, and their radius of gyration, RG. We show that , providing direct evidence that the most immobile particles arrange in fractal objects with a fractal dimension, df, that is observed to increase with packing fraction ϕ. The cluster size distribution obeys scaling, approaching an algebraic decay in the limit of structural arrest, i.e., ϕ→ϕc. Alternatively, dynamical heterogeneities are analyzed via the four-point structure factor S4(q,t) and the dynamical susceptibility χ4(t). S4(q,t) is shown to obey scaling in the full range of packing fractions, 0.6 ≤ϕ≤ 0.805, and to become increasingly long-ranged as ϕ→ϕc. Finite size scaling of χ4(t) provides a consistency check for the previously analyzed divergences of χ4(t) ∝ (ϕ-ϕc)(-γχ) and the correlation length ξ∝ (ϕ-ϕc)(-γξ). We check the robustness of our results with respect to our definition of mobility. The divergences and the scaling for ϕ→ϕc suggest a non-equilibrium glass transition which seems qualitatively independent of the coefficient of restitution. PMID:27230572
Scaling behavior of quantum critical relaxation dynamics of a system in a heat bath
NASA Astrophysics Data System (ADS)
Yin, Shuai; Lo, Chung-Yu; Chen, Pochung
2016-05-01
We study the scaling behavior of the relaxation dynamics to thermal equilibrium when a quantum system is near the quantum critical point. In particular, we investigate systems whose relaxation dynamics is described by a Lindblad master equation. We find that the universal scaling behavior not only appears in the equilibrium stage at the long-time limit but also manifests in the nonequilibrium relaxation process. While the critical behavior is dictated by the low-lying energy levels of the Hamiltonian, the dissipative part in the Lindblad equation also plays important roles in two aspects: First, the dissipative part makes the high-energy levels decay fast, after which the universal behavior controlled by the low-lying modes emerges. Second, the dissipation rate gives rise to a time scale that affects the scaling behavior. We confirm our theory by solving the Lindblad equation for the one-dimensional transverse-field Ising model.
NASA Astrophysics Data System (ADS)
Herrera, Ramón; Olivares, Marco; Videla, Nelson
2014-09-01
In this paper, we study a warm intermediate inflationary model with a general form for the dissipative coefficient Γ(T, ϕ) = CϕTm/ϕm-1 in the context of Loop Quantum Cosmology (LQC). We examine this model in the weak and strong dissipative regimes. In general, we discuss in great detail the characteristics of this model in the slow-roll approximation. Also, we assume that the modifications to perturbation equations result exclusively from Hubble rate. In this approach, we use recent astronomical observations from Planck and BICEP2 experiments to restrict the parameters in our model.
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.
Dissipative dynamics of matter-wave solitons in a nonlinear optical lattice
Abdullaev, F. Kh.; Tomio, Lauro; Gammal, A.; Luz, H. L. F. da
2007-10-15
Dynamics and stability of solitons in two-dimensional (2D) Bose-Einstein condensates (BEC), with one-dimensional (1D) conservative plus dissipative nonlinear optical lattices, are investigated. In the case of focusing media (with attractive atomic systems), the collapse of the wave packet is arrested by the dissipative periodic nonlinearity. The adiabatic variation of the background scattering length leads to metastable matter-wave solitons. When the atom feeding mechanism is used, a dissipative soliton can exist in focusing 2D media with 1D periodic nonlinearity. In the defocusing media (repulsive BEC case) with harmonic trap in one direction and nonlinear optical lattice in the other direction, the stable soliton can exist. Variational approach simulations are confirmed by full numerical results for the 2D Gross-Pitaevskii equation.
On the Jarzynski relation for dissipative quantumdynamics
Crooks, Gavin E
2008-10-30
In this note, we will discuss how to compactly express the Jarzynski identity for an open quantum system with dissipative dynamics. In quantum dynamics we must avoid explicitly measuring the work directly, which is tantamount to continuously monitoring the state of the system, and instead measure the heat ?ow from the environment. These measurements can be concisely represented with Hermitian map superoperators, which provide a convenient and compact representations of correlation functions and sequential measurements of quantum systems.
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 Geometry and Quantum Dynamics at the Planck Scale
Bojowald, Martin
2009-12-15
Canonical quantum gravity provides insights into the quantum dynamics as well as quantum geometry of space-time by its implications for constraints. Loop quantum gravity in particular requires specific corrections due to its quantization procedure, which also results in a discrete picture of space. The corresponding changes compared to the classical behavior can most easily be analyzed in isotropic models, but perturbations around them are more involved. For one type of corrections, consistent equations have been found which shed light on the underlying space-time structure at the Planck scale: not just quantum dynamics but also the concept of space-time manifolds changes in quantum gravity. Effective line elements provide indications for possible relationships to other frameworks, such as non-commutative geometry.
Quantum emitters dynamically coupled to a quantum field
Acevedo, O. L.; Quiroga, L.; Rodríguez, F. J.; Johnson, N. F.
2013-12-04
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.
Nonequilibrium dynamics in lattice ecosystems: Chaotic stability and dissipative structures
NASA Astrophysics Data System (ADS)
Solé, Ricard V.; Bascompte, Jordi; Valls, Joaquim
1992-07-01
A generalized coupled map lattice (CML) model of ecosystem dynamics is presented. We consider the spatiotemporal behavior of a prey-predator map, a model of host-parasitoid interactions, and two-species competition. The latter model can show phase separation of domains (Turing-like structures) even when chaos is present. We also use this CML model to explore the time evolution and structural properties of ecological networks built with a set of N competing species. The May-Wigner criterion is applied as a measure of stability, and some regularities in the stable networks observed are discussed.
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.
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.
Entangling polaritons via dynamical Casimir effect in circuit quantum electrodynamics
NASA Astrophysics Data System (ADS)
Rossatto, D. Z.; Felicetti, S.; Eneriz, H.; Rico, E.; Sanz, M.; Solano, E.
2016-03-01
We investigate theoretically how the dynamical Casimir effect can entangle quantum systems in different coupling regimes of circuit quantum electrodynamics, and show the robustness of such entanglement generation against dissipative effects, considering experimental parameters of current technology. We consider two qubit-resonator systems, which are coupled by a SQUID driven with an external magnetic field, and explore the entire range of coupling regimes between each qubit and its resonator. In this scheme, we derive a semianalytic explanation for the entanglement generation between both superconducting qubits when they are coupled to their resonators in the strong coupling regime. For the ultrastrong and deep strong coupling regimes, we design experimentally feasible theoretical protocols to generate maximally entangled polaritonic states.
Dynamics of dissipative self-assembly of particles interacting through oscillatory forces.
Tagliazucchi, M; Szleifer, I
2016-04-12
Dissipative self-assembly is the formation of ordered structures far from equilibrium, which continuously uptake energy and dissipate it into the environment. Due to its dynamical nature, dissipative self-assembly can lead to new phenomena and possibilities of self-organization that are unavailable to equilibrium systems. Understanding the dynamics of dissipative self-assembly is required in order to direct the assembly to structures of interest. In the present work, Brownian dynamics simulations and analytical theory were used to study the dynamics of self-assembly of a mixture of particles coated with weak acids and bases under continuous oscillations of the pH. The pH of the system modulates the charge of the particles and, therefore, the interparticle forces oscillate in time. This system produces a variety of self-assembled structures, including colloidal molecules, fibers and different types of crystalline lattices. The most important conclusions of our study are: (i) in the limit of fast oscillations, the whole dynamics (and not only those at the non-equilibrium steady state) of a system of particles interacting through time-oscillating interparticle forces can be described by an effective potential that is the time average of the time-dependent potential over one oscillation period; (ii) the oscillation period is critical to determine the order of the system. In some cases the order is favored by very fast oscillations while in others small oscillation frequencies increase the order. In the latter case, it is shown that slow oscillations remove kinetic traps and, thus, allow the system to evolve towards the most stable non-equilibrium steady state. PMID:26762675
Hamiltonian quantum dynamics with separability constraints
NASA Astrophysics Data System (ADS)
Burić, Nikola
2008-01-01
Schroedinger equation on a Hilbert space H, represents a linear Hamiltonian dynamical system on the space of quantum pure states, the projective Hilbert space PH. Separable states of a bipartite quantum system form a special submanifold of PH. We analyze the Hamiltonian dynamics that corresponds to the quantum system constrained on the manifold of separable states, using as an important example the system of two interacting qubits. The constraints introduce nonlinearities which render the dynamics nontrivial. We show that the qualitative properties of the constrained dynamics clearly manifest the symmetry of the qubits system. In particular, if the quantum Hamilton's operator has not enough symmetry, the constrained dynamics is nonintegrable, and displays the typical features of a Hamiltonian dynamical system with mixed phase space. Possible physical realizations of the separability constraints are discussed.
NASA Astrophysics Data System (ADS)
Breuer, Heinz-Peter; Kappler, Bernd; Petruccione, Francesco
2001-07-01
The time-convolutionless projection operator method is used to investigate the non-Markovian dynamics of open quantum systems. On the basis of this method a systematic perturbation expansion for the reduced density matrix equation is obtained involving a time-dependent generator which is local in time. This formalism is generalized to enable the treatment of system-environment correlations in the initial state, which arise in the computation of equilibrium correlation functions or from the preparation of the system by a quantum measurement. The general method is illustrated by means of the damped harmonic oscillator and of the spin-boson model. The perturbation expansion of the equation of motion is applied to a study of relaxation and dephasing processes and to the determination of the stationary state and of equilibrium correlation functions. Special emphasis is laid on the construction of general, computable error estimates which allow the explicit validation of the obtained results. In particular, the parameter regime for which an expansion of the equation of motion to fourth order yields reliable results is determined. The results clearly reveal that a large range of physically relevant parameters, in particular those that might be interesting for experiments on macroscopic quantum coherence phenomena, can already be treated using the expansion to fourth order. It is thus demonstrated that the time-convolutionless projection operator technique provides a transparent and technically feasible method to go beyond the Markovian approximation in the study of open quantum systems.
Classical versus quantum errors in quantum computation of dynamical systems.
Rossini, Davide; Benenti, Giuliano; Casati, Giulio
2004-11-01
We analyze the stability of a quantum algorithm simulating the quantum dynamics of a system with different regimes, ranging from global chaos to integrability. We compare, in these different regimes, the behavior of the fidelity of quantum motion when the system's parameters are perturbed or when there are unitary errors in the quantum gates implementing the quantum algorithm. While the first kind of errors has a classical limit, the second one has no classical analog. It is shown that, whereas in the first case ("classical errors") the decay of fidelity is very sensitive to the dynamical regime, in the second case ("quantum errors") it is almost independent of the dynamical behavior of the simulated system. Therefore, the rich variety of behaviors found in the study of the stability of quantum motion under "classical" perturbations has no correspondence in the fidelity of quantum computation under its natural perturbations. In particular, in this latter case it is not possible to recover the semiclassical regime in which the fidelity decays with a rate given by the classical Lyapunov exponent. PMID:15600737
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.
Parity-time symmetry-breaking mechanism of dynamic Mott transitions in dissipative systems
NASA Astrophysics Data System (ADS)
Tripathi, Vikram; Galda, Alexey; Barman, Himadri; Vinokur, Valerii M.
2016-07-01
We describe the critical behavior of the electric field-driven (dynamic) Mott insulator-to-metal transitions in dissipative Fermi and Bose systems in terms of non-Hermitian Hamiltonians invariant under simultaneous parity (P ) and time-reversal (T ) operations. The dynamic Mott transition is identified as a PT symmetry-breaking phase transition, with the Mott insulating state corresponding to the regime of unbroken PT symmetry with a real energy spectrum. We establish that the imaginary part of the Hamiltonian arises from the combined effects of the driving field and inherent dissipation. We derive the renormalization and collapse of the Mott gap at the dielectric breakdown and describe the resulting critical behavior of transport characteristics. The obtained critical exponent is in an excellent agreement with experimental findings.
Mesoscopic simulation of a thinning liquid bridge using the dissipative particle dynamics method.
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. PMID:26382504
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.
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. PMID:15139218
Quantum dynamics in the partial Wigner picture
NASA Astrophysics Data System (ADS)
Beck, Geoffrey M.; Sergi, Alessandro
2013-10-01
Recently we have shown how the partial Wigner representation of quantum mechanics can be used to study hybrid quantum models where a system with a finite number of energy levels is coupled to linear or nonlinear oscillators (Beck and Sergi 2013 Phys. Lett. A 377 1047). The purpose of this work is to provide a detailed derivation of the partially Wigner-transformed quantum equations of motion for nonlinear oscillator subsystems under the action of general polynomial potentials. Such equations can be written in terms of a propagator, which can then be expanded in a power series. The linear terms of the series describe quantum-classical dynamics while the nonlinear terms provide the corrections needed to restore the fully quantum character of the evolution. In the case of polynomial potentials and position dependent couplings, the number of nonlinear terms is finite and the corrections can be calculated explicitly. In this work we show how to implement numerically the above scheme where, in principle, no assumption about the strength of the coupling must be taken. We illustrate the formalism by studying a two-level system interacting with an asymmetric quartic oscillator. We integrate the quantum dynamics of the total system and provide a comparison with the case of the quantum-classical dynamics of the quartic oscillator. The approach presented here is expected to be effective for studying hybrid quantum circuits in quantum information theory and for witnessing the quantum-to-classical transition in nano-oscillators coupled to pseudo-spins.
NASA Astrophysics Data System (ADS)
Zhang, Wen-Ming; Yan, Han; Jiang, Hui-Ming; Hu, Kai-Ming; Peng, Zhi-Ke; Meng, Guang
2016-04-01
In this paper, the dynamics of suspended microchannel resonators which convey internal flows with opposite directions are investigated. The fluid-structure interactions between the laminar fluid flow and oscillating cantilever are analyzed by comprehensively considering the effects of velocity profile, flow viscosity and added flowing particle. A new model is developed to characterize the dynamic behavior of suspended microchannel resonators with the fluid-structure interactions. The stability, frequency shift and energy dissipation of suspended microchannel resonators are analyzed and discussed. The results demonstrate that the frequency shifts induced by the added flowing particle which are obtained from the new model have a good agreement with the experimental data. The steady mean flow can cause the frequency shift and influence the stability of the dynamic system. As the flow velocity reaches the critical value, the coupled-mode flutter occurs via a Hamiltonian Hopf bifurcation. The perturbation flow resulted from the vibration of the microcantilever leads to energy dissipation, while the steady flow does not directly cause the damping which increases with the increasing of the flow velocity predicted by the classical model. It can also be found that the steady flow firstly changes the mode shape of the cantilever and consequently affects the energy dissipation.
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
Mapping quantum state dynamics in spontaneous emission
NASA Astrophysics Data System (ADS)
Naghiloo, M.; Foroozani, N.; Tan, D.; Jadbabaie, A.; Murch, K. W.
2016-05-01
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.
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
Three Dimensional Observations of Quantum Vortex Dynamics in Superfluid Helium
NASA Astrophysics Data System (ADS)
Megson, Peter; Lathrop, Daniel
Liquid helium, when cooled below 2.17 K, becomes a superfluid with exotic physical properties such as flow without friction. Superfluid flow is irrotational except about line-like topological phase defects with quantized circulation, known as quantum vortices. The dynamics of these vortices include events such as reconnection, wherein vortices meet and exchange tails, and Kelvin wave propagation, a possible mechanism for energy dissipation. We observe the dynamics of fluorescent nanoparticles trapped on the vortices using a newly developed 3D stereographic system. This talk will present new observations of reconnection events and analysis comparing vortex reconnection behavior in three dimensions to previous work that observed such events in two-dimensional projection. In particular, we discuss the power law scaling of vortex separation as a function of time and the effect of the initial angle of separation between the vortex filaments.
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.
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. PMID:26884355
Quantum Dynamics with Gaussian Bases Defined by the Quantum Trajectories.
Gu, Bing; Garashchuk, Sophya
2016-05-19
Development of a general approach to construction of efficient high-dimensional bases is an outstanding challenge in quantum dynamics describing large amplitude motion of molecules and fragments. A number of approaches, proposed over the years, utilize Gaussian bases whose parameters are somehow-usually by propagating classical trajectories or by solving coupled variational equations-tailored to the shape of a wave function evolving in time. In this paper we define the time-dependent Gaussian bases through an ensemble of quantum or Bohmian trajectories, known to provide a very compact representation of a wave function due to conservation of the probability density associated with each trajectory. Though the exact numerical implementation of the quantum trajectory dynamics itself is, generally, impractical, the quantum trajectories can be obtained from the wave function expanded in a basis. The resulting trajectories are used to guide compact Gaussian bases, as illustrated on several model problems. PMID:26735750
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.
Dzwinel, Witold; Yuen, David A; Boryczko, Krzysztof
2002-01-01
We report results of numerical simulations of complex fluids, using a combination of discrete-particle methods. Our molecular modeling repertoire comprises three simulation techniques: molecular dynamics (MD), dissipative particle dynamics (DPD), and the fluid particle model (FPM). This type of model can depict multi-resolution molecular structures found in complex fluids ranging from single micelle, colloidal crystals, large-scale colloidal aggregates up to the mesoscale processes of hydrodynamical instabilities in the bulk of colloidal suspensions. We can simulate different colloidal structures in which the colloidal beds are of comparable size to the solvent particles. This undertaking is accomplished with a two-level discrete particle model consisting of the MD paradigm with a Lennard-Jones (L-J) type potential for defining the colloidal particle system and DPD or FPM for modeling the solvent. We observe the spontaneous emergence of spherical or rod-like micelles and their crystallization in stable hexagonal or worm-like structures, respectively. The ordered arrays obtained by using the particle model are similar to the 2D colloidal crystals observed in laboratory experiments. The micelle shape and its hydrophobic or hydrophilic character depend on the ratio between the scaling factors of the interactions between colloid-colloid to colloid-solvent. Unlike the miscellar arrays, the colloidal aggregates involve the colloid-solvent interactions prescribed by the DPD forces. Different from the assumption of equilibrium growth, the two-level particle model can display much more realistic molecular physics, which allows for the simulation of aggregation for various types of colloids and solvent liquids over a very broad range of conditions. We discuss the potential prospects of combining MD, DPD, and FPM techniques in a single three-level model. Finally, we present results from large-scale simulation of the Rayleigh-Taylor instability and dispersion of colloidal slab
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.
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.
Unifying role of dissipative action in the dynamic failure of solids
NASA Astrophysics Data System (ADS)
Grady, Dennis E.
2015-04-01
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.
Geometric phases and quantum correlations dynamics in spin-boson model
Wu, Wei; Xu, Jing-Bo
2014-01-28
We explore the dynamics of spin-boson model for the Ohmic bath by employing the master equation approach and obtain an explicit expression of reduced density matrix. We also calculate the geometric phases of the spin-boson model by making use of the analytical results and discuss how the dissipative bosonic environment affects geometric phases. Furthermore, we investigate the dynamics of quantum discord and entanglement of two qubits each locally interacting with its own independent bosonic environments. It is found that the decay properties of quantum discord and entanglement are sensitive to the choice of initial state's parameter and coupling strength between system and bath.
Paul Meakin; Zhijie Xu
2008-06-01
Particle methods are much less computationally efficient than grid based numerical solution of the Navier Stokes equation, and they have been used much less extensively, particularly for engineering applications. However, they have important advantages for some applications. These advantages include rigorous mast conservation, momentum conservation and isotropy. In addition, there is no need for explicit interface tracking/capturing. Code development effort is relatively low, and it is relatively simple to simulate flows with moving boundaries. In addition, it is often quite easy to include coupling of fluid flow with other physical phenomena such a phase separation. Here we describe the application of three particle methods: molecular dynamics, dissipative particle dynamics and smoothed particle hydrodynamics. While these methods were developed to simulate fluids and other materials on three quite different scales – the molecular, meso and continuum scales, they are very closely related from a computational point of view. The mesoscale (between the molecular and continuum scales) dissipative particle dynamics method can be used to simulate systems that are too large to simulate using molecular dynamics but small enough for thermal fluctuations to play an important role. Important examples include polymer solutions, gels, small particle suspensions and membranes. In these applications inter particle and intra molecular hydrodynamic interactions are automatically included
NASA Astrophysics Data System (ADS)
Kudo, Kazue; Kawaguchi, Yuki
2011-10-01
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.
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.
Dynamical objectivity in quantum Brownian motion
NASA Astrophysics Data System (ADS)
Tuziemski, J.; Korbicz, J. K.
2015-11-01
Classical objectivity as a property of quantum states —a view proposed to explain the observer-independent character of our world from quantum theory, is an important step in bridging the quantum-classical gap. It was recently derived in terms of spectrum broadcast structures for small objects embedded in noisy photon-like environments. However, two fundamental problems have arisen: a description of objective motion and applicability to other types of environments. Here we derive an example of objective states of motion in quantum mechanics by showing the formation of dynamical spectrum broadcast structures in the celebrated, realistic model of decoherence —Quantum Brownian Motion. We do it for realistic, thermal environments and show their noise-robustness. This opens a potentially new method of studying the quantum-to-classical transition.
Entropy-dominated Dissipation in Sapphire Compressed Dynamically from 14 to 87 GPa
NASA Astrophysics Data System (ADS)
Nellis, W. J.; Kanel, G. I.; Razorenov, S. V.; Savinykh, A. S.; Rajendran, A. M.
2009-06-01
States reached by dynamic compression are governed by free energy in which dissipative energy is --TS, where T is temperature and S is entropy. In a liquid like Ar effective pair interaction enegy is ˜0.01 ev. As a result Ar is relatively compressible with a shock rise time of ˜0.5 ps and 2.2 fold compression at a T of 14,000 K at 50 GPa. Thermal energy is ˜90% of shock energy. Entropy changes are small in a shocked fluid and dissipative energy appears primarily as T. We have measured wave profiles of sapphire with elastic strength of ˜15 GPa in three different crystal orientations at shock stresses of 14, 24, and 87 GPa. At 24 GPa the rise time of the plastic wave is ˜300 ns, 5 orders of magnitude greater than in liquid Ar. At 50 GPa sapphire is compressed 1.1 fold to a T of ˜500 K. Thermal pressures are negligible and bond strengths are ˜1 ev, about 2 orders of magnitude greater than in Ar. Bonds in sapphire probably break over ˜10s of ns. This long rise time causes quasi-isentropic compression with negligible shock heating. Dissipative energy goes primarily into the entropy of disordering the strong 3-D lattice, rather than into T.
Field dissipation of oxyfluorfen in onion and its dynamics in soil under Indian tropical conditions.
Janaki, P; Sathya Priya, R; Chinnusamy, C
2013-01-01
Oxyfluorfen, a diphenyl-ether herbicide is being used to control annual and perennial broad-leaved weeds and sedges in a variety of field crops including onion. The present study was aimed to investigate the dynamics and field persistence of oxyfluorfen in onion plant, bulb and soil under Indian tropical conditions. Application of four rates of oxyfluorfen viz., 200, 250, 300 and 400 g AI ha(-1) as pre-emergence gave good weed control in field experiment with onion. The oxyfluorfen residue dissipated faster in plant than in soil respectively, with a mean half-life of 6.1 and 11.2 days. Dissipation followed first-order kinetics. In laboratory column leaching experiments, 17 percent of the applied oxyfluorfen was recovered from the soil and indicates its solubility in water and mobility in sandy clay loam soil was low. A sorption study revealed that the adsorption of oxyfluorfen to the soil was highly influenced by the soil organic carbon with the Koc value of 5450. The study concludes that the dissipation of oxyfluorfen in soil and onion was dependent on the physico-chemical properties of the soil and environmental conditions. PMID:23998306
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.
Magnetization dynamics, Bennett clocking and associated energy dissipation in multiferroic logic.
Fashami, Mohammad Salehi; Roy, Kuntal; Atulasimha, Jayasimha; Bandyopadhyay, Supriyo
2011-04-15
It has been recently shown that the magnetization of a multiferroic nanomagnet, consisting of a magnetostrictive layer elastically coupled to a piezoelectric layer, can be rotated by a large angle if a tiny voltage of a few tens of millivolts is applied to the piezoelectric layer. The potential generates stress in the magnetostrictive layer and rotates its magnetization by ~90° to implement Bennett clocking in nanomagnetic logic chains. Because of the small voltage needed, this clocking method is far more energy efficient than those that would employ spin transfer torque or magnetic fields to rotate the magnetization. In order to assess if such a clocking scheme can also be reasonably fast, we have studied the magnetization dynamics of a multiferroic logic chain with nearest-neighbor dipole coupling using the Landau-Lifshitz-Gilbert (LLG) equation. We find that clock rates of 2.5 GHz are feasible while still maintaining the exceptionally high energy efficiency. For this clock rate, the energy dissipated per clock cycle per bit flip is ~52,000 kT at room temperature in the clocking circuit for properly designed nanomagnets. Had we used spin transfer torque to clock at the same rate, the energy dissipated per clock cycle per bit flip would have been ~4 x 10⁸ kT, while with current transistor technology we would have expended ~10⁶ kT. For slower clock rates of 1 GHz, stress-based clocking will dissipate only ~200 kT of energy per clock cycle per bit flip, while spin transfer torque would dissipate about 10⁸ kT. This shows that multiferroic nanomagnetic logic, clocked with voltage-generated stress, can emerge as a very attractive technique for computing and signal processing since it can be several orders of magnitude more energy efficient than current technologies. PMID:21389584
Magnetization dynamics, Bennett clocking and associated energy dissipation in multiferroic logic
NASA Astrophysics Data System (ADS)
Salehi Fashami, Mohammad; Roy, Kuntal; Atulasimha, Jayasimha; Bandyopadhyay, Supriyo
2011-04-01
It has been recently shown that the magnetization of a multiferroic nanomagnet, consisting of a magnetostrictive layer elastically coupled to a piezoelectric layer, can be rotated by a large angle if a tiny voltage of a few tens of millivolts is applied to the piezoelectric layer. The potential generates stress in the magnetostrictive layer and rotates its magnetization by ~ 90° to implement Bennett clocking in nanomagnetic logic chains. Because of the small voltage needed, this clocking method is far more energy efficient than those that would employ spin transfer torque or magnetic fields to rotate the magnetization. In order to assess if such a clocking scheme can also be reasonably fast, we have studied the magnetization dynamics of a multiferroic logic chain with nearest-neighbor dipole coupling using the Landau-Lifshitz-Gilbert (LLG) equation. We find that clock rates of 2.5 GHz are feasible while still maintaining the exceptionally high energy efficiency. For this clock rate, the energy dissipated per clock cycle per bit flip is ~ 52 000 kT at room temperature in the clocking circuit for properly designed nanomagnets. Had we used spin transfer torque to clock at the same rate, the energy dissipated per clock cycle per bit flip would have been ~ 4 × 108 kT, while with current transistor technology we would have expended ~ 106 kT. For slower clock rates of 1 GHz, stress-based clocking will dissipate only ~ 200 kT of energy per clock cycle per bit flip, while spin transfer torque would dissipate about 108 kT. This shows that multiferroic nanomagnetic logic, clocked with voltage-generated stress, can emerge as a very attractive technique for computing and signal processing since it can be several orders of magnitude more energy efficient than current technologies.
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. PMID:26772559
NASA Astrophysics Data System (ADS)
Homman, Ahmed-Amine; Maillet, Jean-Bernard; Roussel, Julien; Stoltz, Gabriel
2016-01-01
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.
Dynamics of the coiled-coil unfolding transition of myosin rod probed by dissipation force spectrum.
Taniguchi, Yukinori; Khatri, Bhavin S; Brockwell, David J; Paci, Emanuele; Kawakami, Masaru
2010-07-01
The motor protein myosin II plays a crucial role in muscle contraction. The mechanical properties of its coiled-coil region, the myosin rod, are important for effective force transduction during muscle function. Previous studies have investigated the static elastic response of the myosin rod. However, analogous to the study of macroscopic complex fluids, how myosin will respond to physiological time-dependent loads can only be understood from its viscoelastic response. Here, we apply atomic force microscopy using a magnetically driven oscillating cantilever to measure the dissipative properties of single myosin rods that provide unique dynamical information about the coiled-coil structure as a function of force. We find that the friction constant of the single myosin rod has a highly nontrivial variation with force; in particular, the single-molecule friction constant is reduced dramatically and increases again as it passes through the coiled-uncoiled transition. This is a direct indication of a large free-energy barrier to uncoiling, which may be related to a fine-tuned dynamic mechanosignaling response to large and unexpected physiological loads. Further, from the critical force at which the minimum in friction occurs we determine the asymmetry of the bistable landscape that controls uncoiling of the coiled coil. This work highlights the sensitivity of the dissipative signal in force unfolding to dynamic molecular structure that is hidden to the elastic signal. PMID:20655854
On the numerical treatment of dissipative particle dynamics and related systems
NASA Astrophysics Data System (ADS)
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.
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. PMID:25794375
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.
Dynamics and thermodynamics in spinor quantum gases
NASA Astrophysics Data System (ADS)
Schmaljohann, H.; Erhard, M.; Kronjäger, J.; Sengstock, K.; Bongs, K.
2004-12-01
We discuss magnetism in spinor quantum gases theoretically and experimentally with emphasis on temporal dynamics of the spinor order parameter in the presence of an external magnetic field. In a simple coupled Gross Pitaevskii picture we observe a dramatic suppression of spin dynamics due to quadratic Zeeman “dephasing”. In view of an inhomogeneous density profile of the trapped condensate we present evidence of spatial variations of spin dynamics. In addition we study spinor quantum gases as a model system for thermodynamics of Bose Einstein condensation. As a particular example we present measurements on condensate magnetisation due to the interaction with a thermal bath.
Dynamical Casimir effect and quantum cosmology
NASA Astrophysics Data System (ADS)
Brevik, I.; Milton, K. A.; Odintsov, S. D.; Osetrin, K. E.
2000-09-01
We apply the background field method and the effective action formalism to describe the four-dimensional dynamical Casimir effect. Our picture corresponds to the consideration of quantum cosmology for an expanding FRW universe (the boundary conditions act as a moving mirror) filled by a quantum massless GUT which is conformally invariant. We consider cases in which the static Casimir energy is attractive and repulsive. Inserting the simplest possible inertial term, we find, in the adiabatic (and semiclassical) approximation, the dynamical evolution of the scale factor and the dynamical Casimir stress analytically and numerically [for SU(2) super Yang-Mills theory]. Alternative kinetic energy terms are explored in the Appendix.
Non-Markov dissipative dynamics of electron transfer in a photosynthetic reaction center
NASA Astrophysics Data System (ADS)
Poddubnyy, V. V.; Glebov, I. O.; Eremin, V. V.
2014-02-01
We consider the dissipative dynamics of electron transfer in the photosynthetic reaction center of purple bacteria and propose a model where the transition between electron states arises only due to the interaction between a chromophore system and the protein environment and is not accompanied by the motion of nuclei of the reaction subsystem. We establish applicability conditions for the Markov approximation in the framework of this model and show that these conditions are not necessarily satisfied in the protein medium. We represent the spectral function of the "system+heat bath" interaction in the form of one or several Gaussian functions to study specific characteristics of non-Markov dynamics of the final state population, the presence of an induction period and vibrations. The consistency of the computational results obtained for non-Markov dynamics with experimental data confirms the correctness of the proposed approach.
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.
Assessing non-Markovian quantum dynamics.
Wolf, M M; Eisert, J; Cubitt, T S; Cirac, J I
2008-10-10
We investigate what a snapshot of a quantum evolution--a quantum channel reflecting open system dynamics--reveals about the underlying continuous time evolution. Remarkably, from such a snapshot, and without imposing additional assumptions, it can be decided whether or not a channel is consistent with a time (in)dependent Markovian evolution, for which we provide computable necessary and sufficient criteria. Based on these, a computable measure of "Markovianity" is introduced. We discuss how the consistency with Markovian dynamics can be checked in quantum process tomography. The results also clarify the geometry of the set of quantum channels with respect to being solutions of time (in)dependent master equations. PMID:18999575
Spectrum analysis with quantum dynamical systems
NASA Astrophysics Data System (ADS)
Ng, Shilin; Ang, Shan Zheng; Wheatley, Trevor A.; Yonezawa, Hidehiro; Furusawa, Akira; Huntington, Elanor H.; Tsang, Mankei
2016-04-01
Measuring the power spectral density of a stochastic process, such as a stochastic force or magnetic field, is a fundamental task in many sensing applications. Quantum noise is becoming a major limiting factor to such a task in future technology, especially in optomechanics for temperature, stochastic gravitational wave, and decoherence measurements. Motivated by this concern, here we prove a measurement-independent quantum limit to the accuracy of estimating the spectrum parameters of a classical stochastic process coupled to a quantum dynamical system. We demonstrate our results by analyzing the data from a continuous-optical-phase-estimation experiment and showing that the experimental performance with homodyne detection is close to the quantum limit. We further propose a spectral photon-counting method that can attain quantum-optimal performance for weak modulation and a coherent-state input, with an error scaling superior to that of homodyne detection at low signal-to-noise ratios.
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. PMID:26465581
Measurement-based quantum lattice gas model of fluid dynamics in 2+1 dimensions
NASA Astrophysics Data System (ADS)
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 16 K ×8 K 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.
Nardai, M M; Zifferer, G
2009-09-28
A most promising off-lattice technique in order to simulate not only static but in addition dynamic behavior of linear and star-branched chains is the dissipative particle dynamics (DPD) method. In this model the atomistic representation of polymer molecules is replaced by a (coarse-grained) equivalent chain consisting of beads which are repulsive for each other in order to mimic the excluded volume effect (successive beads in addition are linked by springs). Likewise solvent molecules are combined to beads which in turn are repulsive for each other as well as for the polymer segments. The system is relaxed by molecular dynamics solving Newton's laws under the influence of short ranged conservative forces (i.e., repulsion between nonbonded beads and a proper balance of repulsion and attraction between bonded segments) and dissipative forces due to friction between particles, the latter representing the thermostat in conjunction with proper random forces. A variation of the strength of the repulsion between different types of beads allows the simulation of any desired thermodynamic situation. Static and dynamic properties of isolated linear and star-branched chains embedded in athermal, exothermal, and endothermal solvent are presented and theta conditions are examined. The generally accepted scaling concept for athermal systems is fairly well reproduced by linear and star-branched DPD chains and theta conditions appear for a unique parameter independent of functionality as in the case of Monte Carlo simulations. Furthermore, the correspondence between DPD and Monte Carlo data referring to the shape of chains and stars is fairly well, too. For dilute solutions the Zimm behavior is expected for dynamic properties which is indeed realized in DPD systems. PMID:19791917
Quantum theory of dynamic nuclear polarization in quantum dots
NASA Astrophysics Data System (ADS)
Economou, Sophia; Barnes, Edwin
2013-03-01
Nuclear spins play a major role in the dynamics of spin qubits in III-V semiconductor quantum dots. Although the hyperfine interaction between nuclear and electron (or hole) spins is typically viewed as the leading source of decoherence in these qubits, understanding how to experimentally control the nuclear spin polarization can not only ameliorate this problem, but in fact turn the nuclear spins into a valuable resource for quantum computing. Beyond extending decoherence times, control of this polarization can enable universal quantum computation as shown in singlet-triplet qubits and, in addition, offers the possibility of repurposing the nuclear spins into a robust quantum memory. In, we took a first step toward taking advantage of this resource by developing a general, fully quantum theory of non-unitary electron-nuclear spin dynamics with a periodic train of delta-function pulses as the external control driving the electron spin. Here, we extend this approach to other types of controls and further expand on the predictions and physical insights that emerge from the theory.
NASA Astrophysics Data System (ADS)
Schröder, Florian A. Y. N.; Chin, Alex W.
2016-02-01
We report the development of an efficient many-body algorithm for simulating open quantum system dynamics that utilizes a time-dependent variational principle for matrix product states to evolve large system-environment states. Capturing all system-environment correlations, we reproduce the nonperturbative, quantum-critical dynamics of the zero-temperature spin-boson model, and then exploit the many-body information to visualize the complete time-frequency spectrum of the environmental excitations. Our "environmental spectra" reveal correlated vibrational motion in polaronic modes which preserve their vibrational coherence during incoherent spin relaxation, demonstrating how environment information could yield valuable insights into complex quantum dissipative processes.
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.
Comment on "Dynamic quantum secret sharing"
NASA Astrophysics Data System (ADS)
Liao, Ci-Hong; Yang, Chun-Wei; Hwang, Tzonelish
2013-10-01
Hsu et al. (Quantum Inf Process 12:331-344,2013) proposed a dynamic quantum secret sharing (DQSS) protocol using the entanglement swapping of Bell states for an agent to easily join (or leave) the system. In 2013, Wang and Li (Quantum Inf Process 12(5):1991-1997, 2013) proposed a collusion attack on Hsu et al.'s DQSS protocol. Nevertheless, this study points out a new security issue on Hsu et al.'s DQSS protocol regarding to the honesty of a revoked agent. Without considering this issue, the DQSS protocol could be failed to provide secret sharing function.
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.
Velocity-strengthening friction significantly affects interfacial dynamics, strength and dissipation
Bar-Sinai, Yohai; Spatschek, Robert; Brener, Efim A.; Bouchbinder, Eran
2015-01-01
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. PMID:25598161
Soares, Joao S.; Gao, Chao; Alemu, Yared; Slepian, Marvin; Bluestein, Danny
2013-01-01
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 represent 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. PMID:23695489
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.
Effects of an impermeable wall in dissipative dynamics of saturated porous media
NASA Astrophysics Data System (ADS)
Artale Harris, P.
2016-06-01
A phase transition model for porous media in consolidation is studied. The model is able to describe the phenomenon of fluid-segregation during the consolidation process, i.e., the coexistence of two phases di?ering from fluid content inside the porous medium under static load. Considering pure Darcy dissipation, the dynamics is described by a Cahn-Hilliard-like system of partial differential equations (PDE). The goal, here, is to study the dynamics of the formation of stationary fluid-rich bubbles. The evolution of the strain and fluid density pro?files of the porous medium is analyzed in two physical situation: fluid free to flow through the boundaries of the medium and fluid flow prevented at one of the two boundaries. Morover, an analytic result on the position of the interface between the two phases is provided.
NASA Astrophysics Data System (ADS)
Wang, Yao-Chun; Ju, Shin-Pon; Huang, Tien Jung; Wang, Hung-Hsiang
2011-06-01
Dissipative particle dynamics (DPD), a mesoscopic simulation approach, is used to investigate the effect of volume fraction of polyethylene (PE) and poly( l-lactide) (PLLA) on the structural property of the immiscible PE/PLLA/carbon nanotube in a system. In this work, the interaction parameter in DPD simulation, related to the Flory-Huggins interaction parameter χ, is estimated by the calculation of mixing energy for each pair of components in molecular dynamics simulation. Volume fraction and mixing methods clearly affect the equilibrated structure. Even if the volume fraction is different, micro-structures are similar when the equilibrated structures are different. Unlike the blend system, where no relationship exists between the micro-structure and the equilibrated structure, in the di-block copolymer system, the micro-structure and equilibrated structure have specific relationships.
NASA Astrophysics Data System (ADS)
Lei, Huan; Baker, Nathan A.; Wu, Lei; Schenter, Gregory K.; Mundy, Christopher J.; Tartakovsky, Alexandre M.
2016-08-01
Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a multiphase smoothed dissipative particle dynamics (SDPD) 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 semianalytical 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 dynamic processes, such as bubble coalescence and capillary spectra across the interface.
A polarizable coarse-grained protein model for dissipative particle dynamics.
Peter, Emanuel K; Lykov, Kirill; Pivkin, Igor V
2015-10-01
We present a new coarse-grained polarizable protein model for dissipative particle dynamics (DPD) method. This method allows large timesteps in particle-based systems and speeds up sampling by many orders of magnitude. Our new model is based on the electrostatic polarization of the protein backbone and a detailed representation of the sidechains in combination with a polarizable water model. We define our model parameters using the experimental structures of two proteins, TrpZip2 and TrpCage. Backmapping and subsequent short replica-exchange molecular dynamics runs verify our approach and show convergence to the experimental structures on the atomistic level. We validate our model on five different proteins: GB1, the WW-domain, the B-domain of Protein A, the peripheral binding subunit and villin headpiece. PMID:26339692
Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems.
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. PMID:26156459
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
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.
NASA Astrophysics Data System (ADS)
Huang, Xu-Guang; Koide, Tomoi
2012-09-01
The microscopic formulas for the shear viscosity η, the bulk viscosity ζ, and the corresponding relaxation times τπ and τΠ of causal dissipative relativistic fluid-dynamics are obtained at finite temperature and chemical potential by using the projection operator method. The non-triviality of the finite chemical potential calculation is attributed to the arbitrariness of the operator definition for the bulk viscous pressure. We show that, when the operator definition for the bulk viscous pressure Π is appropriately chosen, the leading-order result of the ratio, ζ over τΠ, coincides with the same ratio obtained at vanishing chemical potential. We further discuss the physical meaning of the time-convolutionless (TCL) approximation to the memory function, which is adopted to derive the main formulas. We show that the TCL approximation violates the time reversal symmetry appropriately and leads results consistent with the quantum master equation obtained by van Hove. Furthermore, this approximation can reproduce an exact relation for transport coefficients obtained by using the f-sum rule derived by Kadanoff and Martin. Our approach can reproduce also the result in Baier et al. (2008) [8] by taking into account the next-order correction to the TCL approximation, although this correction causes several problems.
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
Nonequilibrium quantum dynamics in optomechanical systems
NASA Astrophysics Data System (ADS)
Patil, Yogesh Sharad; Cheung, Hil F. H.; Shaffer, Airlia; Wang, Ke; Vengalattore, Mukund
2016-05-01
The thermalization dynamics of isolated quantum systems has so far been explored in the context of cold atomic systems containing a large number of particles and modes. Quantum optomechanical systems offer prospects of studying such dynamics in a qualitatively different regime - with few individually addressable modes amenable to continuous quantum measurement and thermalization times that vastly exceed those observed in cold atomic systems. We have experimentally realized a dynamical continuous phase transition in a quantum compatible nondegenerate mechanical parametric oscillator. This system is formally equivalent to the optical parametric amplifiers whose dynamics have been a subject of intense theoretical study. We experimentally verify its phase diagram and observe nonequilibrium behavior that was only theorized, but never directly observed, in the context of optical parametric amplifiers. We discuss prospects of using nonequilibrium protocols such as quenches in optomechanical systems to amplify weak nonclassical correlations and to realize macroscopic nonclassical states. This work was supported by the DARPA QuASAR program through a Grant from the ARO and the ARO MURI on non-equilibrium manybody dynamics.
Phase space representation of quantum dynamics
Polkovnikov, Anatoli
2010-08-15
We discuss a phase space representation of quantum dynamics of systems with many degrees of freedom. This representation is based on a perturbative expansion in quantum fluctuations around one of the classical limits. We explicitly analyze expansions around three such limits: (i) corpuscular or Newtonian limit in the coordinate-momentum representation, (ii) wave or Gross-Pitaevskii limit for interacting bosons in the coherent state representation, and (iii) Bloch limit for the spin systems. We discuss both the semiclassical (truncated Wigner) approximation and further quantum corrections appearing in the form of either stochastic quantum jumps along the classical trajectories or the nonlinear response to such jumps. We also discuss how quantum jumps naturally emerge in the analysis of non-equal time correlation functions. This representation of quantum dynamics is closely related to the phase space methods based on the Wigner-Weyl quantization and to the Keldysh technique. We show how such concepts as the Wigner function, Weyl symbol, Moyal product, Bopp operators, and others automatically emerge from the Feynmann's path integral representation of the evolution in the Heisenberg representation. We illustrate the applicability of this expansion with various examples mostly in the context of cold atom systems including sine-Gordon model, one- and two-dimensional Bose-Hubbard model, Dicke model and others.
Quantum tunneling dynamics using hydrodynamic trajectories
NASA Astrophysics Data System (ADS)
Bittner, Eric R.
2000-06-01
In this paper we compute quantum trajectories arising from Bohm's causal description of quantum mechanics. Our computational methodology is based upon a finite-element moving least-squares method (MWLS) presented recently by Wyatt and co-workers [Lopreore and Wyatt, Phys. Rev. Lett. 82, 5190 (1999)]. This method treats the "particles" in the quantum Hamilton-Jacobi equation as Lagrangian fluid elements that carry the phase, S, and density, ρ, required to reconstruct the quantum wave function. Here, we compare results obtained via the MWLS procedure to exact results obtained either analytically or by numerical solution of the time-dependent Schrödinger equation. Two systems are considered: first, dynamics in a harmonic well and second, tunneling dynamics in a double well potential. In the case of tunneling in the double well potential, the quantum potential acts to lower the barrier, separating the right- and left-hand sides of the well, permitting trajectories to pass from one side to another. However, as probability density passes from one side to the other, the effective barrier begins to rise and eventually will segregate trajectories in one side from the other. We note that the MWLS trajectories exhibited long time stability in the purely harmonic cases. However, this stability was not evident in the barrier crossing dynamics. Comparisons to exact trajectories obtained via wave packet calculations indicate that the MWLS trajectories tend to underestimate the effects of constructive and destructive interference effects.
Understanding quantum entanglement by thermo field dynamics
NASA Astrophysics Data System (ADS)
Hashizume, Yoichiro; Suzuki, Masuo
2013-09-01
We propose a new method to understand quantum entanglement using the thermo field dynamics (TFD) described by a double Hilbert space. The entanglement states show a quantum-mechanically complicated behavior. Our new method using TFD makes it easy to understand the entanglement states, because the states in the tilde space in TFD play a role of tracer of the initial states. For our new treatment, we define an extended density matrix on the double Hilbert space. From this study, we make a general formulation of this extended density matrix and examine some simple cases using this formulation. Consequently, we have found that we can distinguish intrinsic quantum entanglement from the thermal fluctuations included in the definition of the ordinary quantum entanglement at finite temperatures. Through the above examination, our method using TFD can be applied not only to equilibrium states but also to non-equilibrium states. This is shown using some simple finite systems in the present paper.
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
NASA Astrophysics Data System (ADS)
Vasin, M.; Ryzhov, V.; Vinokur, V. M.
2015-12-01
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.
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.
NASA Astrophysics Data System (ADS)
Ge, Rong-Chun; Hughes, Stephen
2015-11-01
We study the quantum dynamics of two quantum dots (QDs) or artificial atoms coupled through the fundamental localized plasmon of a gold nanorod resonator. We derive an intuitive and efficient time-local master equation, in which the effect of the metal nanorod is taken into consideration self-consistently using a quasinormal mode (QNM) expansion technique of the photon Green function. Our efficient QNM technique offers an alternative and more powerful approach over the standard Jaynes-Cummings model, where the radiative decay, nonradiative decay, and spectral reshaping effect of the electromagnetic environment is rigorously included in a clear and transparent way. We also show how one can use our approach to compliment the approximate Jaynes-Cummings model in certain spatial regimes where it is deemed to be valid. We then present a study of the quantum dynamics and photoluminescence spectra of the two plasmon-coupled QDs. We first explore the non-Markovian regime, which is found to be important only on the ultrashort time scale of the plasmon mode which is about 40 fs. For the field free evolution case of excited QDs near the nanorod, we demonstrate how spatially separated QDs can be effectively coupled through the plasmon resonance and we show how frequencies away from the plasmon resonance can be more effective for coherently coupling the QDs. Despite the strong inherent dissipation of gold nanoresonators, we show that qubit entanglements as large as 0.7 can be achieved from an initially separate state, which has been limited to less than 0.5 in previous work for weakly coupled reservoirs. We also study the superradiance and subradiance decay dynamics of the QD pair. Finally, we investigate the rich quantum dynamics of QDs that are incoherently pumped, and study the polarization dependent behavior of the emitted photoluminescence spectrum where a double-resonance structure is observed due to the strong photon exchange interactions. Our general quantum plasmonics
Many-body dissipative particle dynamics simulation of liquid/vapor and liquid/solid interactions.
Arienti, Marco; Pan, Wenxiao; Li, Xiaoyi; Karniadakis, George
2011-05-28
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. PMID:21639431
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.
Goicochea, A Gama
2007-11-01
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. PMID:17914849
Binary-fluid turbulence: Signatures of multifractal droplet dynamics and dissipation reduction.
Pal, Nairita; Perlekar, Prasad; Gupta, Anupam; Pandit, Rahul
2016-06-01
We study the challenging problem of the advection of an active, deformable, finite-size droplet by a turbulent flow via a simulation of the coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations. In these equations, the droplet has a natural two-way coupling to the background fluid. We show that the probability distribution function of the droplet center of mass acceleration components exhibit wide, non-Gaussian tails, which are consistent with the predictions based on pressure spectra. We also show that the droplet deformation displays multifractal dynamics. Our study reveals that the presence of the droplet enhances the energy spectrum E(k), when the wave number k is large; this enhancement leads to dissipation reduction. PMID:27415366
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.
Binary-fluid turbulence: Signatures of multifractal droplet dynamics and dissipation reduction
NASA Astrophysics Data System (ADS)
Pal, Nairita; Perlekar, Prasad; Gupta, Anupam; Pandit, Rahul
2016-06-01
We study the challenging problem of the advection of an active, deformable, finite-size droplet by a turbulent flow via a simulation of the coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations. In these equations, the droplet has a natural two-way coupling to the background fluid. We show that the probability distribution function of the droplet center of mass acceleration components exhibit wide, non-Gaussian tails, which are consistent with the predictions based on pressure spectra. We also show that the droplet deformation displays multifractal dynamics. Our study reveals that the presence of the droplet enhances the energy spectrum E (k ) , when the wave number k is large; this enhancement leads to dissipation reduction.
Liu, Hong; Qian, Hu-Jun; Zhao, Ying; Lu, Zhong-Yuan
2007-10-14
The influence of polymerization on the phase separation of binary immiscible mixtures has been investigated by the dissipative particle dynamics simulations in two dimensions. During polymerization, the bulk viscosity increases, which consequently slows down the spinodal decomposition process. The domain size growth is monitored in the simulations. The absence of 23 exponent for inertial hydrodynamic mechanism clearly reflects the suppressing effect of polymerization on the phase separation. Due to the increasing viscosity, the individual phase may be trapped in a metastable stage instead of the lamellar morphology identified for symmetric mixtures. Moreover, the polymerization induced phase separation in the binary miscible mixture has been studied. The domain growth is strongly dependent on the polymerization probability, which is naturally related to the activation energy for polymerization. The observed complex phase separation behavior is attributed to the interplay between the increasing thermodynamic driving force for phase separation and the increasing viscosity that suppresses phase separation as the polymerization proceeds. PMID:17935435
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.
Azhar, Mueed; Greiner, Andreas; Korvink, Jan G; Kauzlarić, David
2016-06-28
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. PMID:27369491
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.
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.
Determination of macroscopic transport coefficients of a dissipative particle dynamics solvent.
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. PMID:26871186
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. PMID:18647043
Conservative and dissipative tip-sample interaction forces probed with dynamic AFM
NASA Astrophysics Data System (ADS)
Gotsmann, B.; Seidel, C.; Anczykowski, B.; Fuchs, H.
1999-10-01
The conservative and dissipative forces between tip and sample of a dynamic atomic force microscopy (AFM) were investigated using a combination of computer simulations and experimental AFM data obtained by the frequency modulation technique. In this way it became possible to reconstruct complete force versus distance curves and damping coefficient versus distance curves from experimental data without using fit parameters for the interaction force and without using analytical interaction models. A comparison with analytical approaches is given and a way to determine a damping coefficient curve from experimental data is proposed. The results include the determination of the first point of repulsive contact of a vibrating tip when approaching a sample. The capability of quantifying the tip-sample interaction is demonstrated using experimental data obtained with a silicon tip and a mica sample in UHV.
Bulk viscosity and relaxation time of causal dissipative relativistic fluid dynamics
NASA Astrophysics Data System (ADS)
Huang, Xu-Guang; Kodama, Takeshi; Koide, Tomoi; Rischke, Dirk H.
2011-02-01
The microscopic formulas of the bulk viscosity ζ and the corresponding relaxation time τΠ in causal dissipative relativistic fluid dynamics are derived by using the projection operator method. In applying these formulas to the pionic fluid, we find that the renormalizable energy-momentum tensor should be employed to obtain consistent results. In the leading-order approximation in the chiral perturbation theory, the relaxation time is enhanced near the QCD phase transition, and τΠ and ζ are related as τΠ=ζ/[β{(1/3-cs2)(ɛ+P)-2(ɛ-3P)/9}], where ɛ, P, and cs are the energy density, pressure, and velocity of sound, respectively. The predicted ζ and τΠ should satisfy the so-called causality condition. We compare our result with the results of the kinetic calculation by Israel and Stewart and the string theory, and confirm that all three approaches are consistent with the causality condition.
Implementation of non-uniform FFT based Ewald summation in dissipative particle dynamics method
NASA Astrophysics Data System (ADS)
Wang, Yong-Lei; Laaksonen, Aatto; Lu, Zhong-Yuan
2013-02-01
The ENUF method, i.e., Ewald summation based on the non-uniform FFT technique (NFFT), is implemented in dissipative particle dynamics (DPD) simulation scheme to fast and accurately calculate the electrostatic interactions at mesoscopic level. In a simple model electrolyte system, the suitable ENUF-DPD parameters, including the convergence parameter α, the NFFT approximation parameter p, and the cut-offs for real and reciprocal space contributions, are carefully determined. With these optimized parameters, the ENUF-DPD method shows excellent efficiency and scales as O(NlogN). The ENUF-DPD method is further validated by investigating the effects of charge fraction of polyelectrolyte, ionic strength and counterion valency of added salts on polyelectrolyte conformations. The simulations in this paper, together with a separately published work of dendrimer-membrane complexes, show that the ENUF-DPD method is very robust and can be used to study charged complex systems at mesoscopic level.
Simulating Fiber Ordering and Aggregation In Shear Flow Using Dissipative Particle Dynamics
NASA Astrophysics Data System (ADS)
Stimatze, Justin T.
We have developed a mesoscale simulation of fiber aggregation in shear flow using LAMMPS and its implementation of dissipative particle dynamics. Understanding fiber aggregation in shear flow and flow-induced microstructural fiber networks is critical to our interest in high-performance composite materials. Dissipative particle dynamics enables the consideration of hydrodynamic interactions between fibers through the coarse-grained simulation of the matrix fluid. Correctly simulating hydrodynamic interactions and accounting for fluid forces on the microstructure is required to correctly model the shear-induced aggregation process. We are able to determine stresses, viscosity, and fiber forces while simulating the evolution of a model fiber system undergoing shear flow. Fiber-fiber contact interactions are approximated by combinations of common pairwise forces, allowing the exploration of interaction-influenced fiber behaviors such as aggregation and bundling. We are then able to quantify aggregate structure and effective volume fraction for a range of relevant system and fiber-fiber interaction parameters. Our simulations have demonstrated several aggregate types dependent on system parameters such as shear rate, short-range attractive forces, and a resistance to relative rotation while in contact. A resistance to relative rotation at fiber-fiber contact points has been found to strongly contribute to an increased angle between neighboring aggregated fibers and therefore an increase in average aggregate volume fraction. This increase in aggregate volume fraction is strongly correlated with a significant enhancement of system viscosity, leading us to hypothesize that controlling the resistance to relative rotation during manufacturing processes is important when optimizing for desired composite material characteristics.
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
Dynamic trapping near a quantum critical point
NASA Astrophysics Data System (ADS)
Kolodrubetz, Michael; Katz, Emanuel; Polkovnikov, Anatoli
2015-02-01
The study of dynamics in closed quantum systems has been revitalized by the emergence of experimental systems that are well-isolated from their environment. In this paper, we consider the closed-system dynamics of an archetypal model: spins driven across a second-order quantum critical point, which are traditionally described by the Kibble-Zurek mechanism. Imbuing the driving field with Newtonian dynamics, we find that the full closed system exhibits a robust new phenomenon—dynamic critical trapping—in which the system is self-trapped near the critical point due to efficient absorption of field kinetic energy by heating the quantum spins. We quantify limits in which this phenomenon can be observed and generalize these results by developing a Kibble-Zurek scaling theory that incorporates the dynamic field. Our findings can potentially be interesting in the context of early universe physics, where the role of the driving field is played by the inflaton or a modulus field.
Monodisperse cluster crystals: Classical and quantum dynamics.
Díaz-Méndez, Rogelio; Mezzacapo, Fabio; Cinti, Fabio; Lechner, Wolfgang; Pupillo, Guido
2015-11-01
We study the phases and dynamics of a gas of monodisperse particles interacting via soft-core potentials in two spatial dimensions, which is of interest for soft-matter colloidal systems and quantum atomic gases. Using exact theoretical methods, we demonstrate that the equilibrium low-temperature classical phase simultaneously breaks continuous translational symmetry and dynamic space-time homogeneity, whose absence is usually associated with out-of-equilibrium glassy phenomena. This results in an exotic self-assembled cluster crystal with coexisting liquidlike long-time dynamical properties, which corresponds to a classical analog of supersolid behavior. We demonstrate that the effects of quantum fluctuations and bosonic statistics on cluster-glassy crystals are separate and competing: Zero-point motion tends to destabilize crystalline order, which can be restored by bosonic statistics. PMID:26651695
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.
Avoiding irreversible dynamics in quantum systems
NASA Astrophysics Data System (ADS)
Karasik, Raisa Iosifovna
2009-10-01
Devices that exploit laws of quantum physics offer revolutionary advances in computation and communication. However, building such devices presents an enormous challenge, since it would require technologies that go far beyond current capabilities. One of the main obstacles to building a quantum computer and devices needed for quantum communication is decoherence or noise that originates from the interaction between a quantum system and its environment, and which leads to the destruction of the fragile quantum information. Encoding into decoherence-free subspaces (DFS) provides an important strategy for combating decoherence effects in quantum systems and constitutes the focus of my dissertation. The theory of DFS relies on the existence of certain symmetries in the decoherence process, which allow some states of a quantum system to be completely decoupled from the environment and thus to experience no decoherence. In this thesis I describe various approaches to DFS that are developed in the current literature. Although the general idea behind various approaches to DFS is the same, I show that different mathematical definitions of DFS actually have different physical meaning. I provide a rigorous definition of DFS for every approach, explaining its physical meaning and relation to other definitions. I also examine the theory of DFS for Markovian systems. These are systems for which the environment has no memory, i.e., any change in the environment affects the quantum system instantaneously. Examples of such systems include many systems in quantum optics that have been proposed for implementation of a quantum computer, such as atomic and molecular gases, trapped ions, and quantum dots. Here I develop a rigorous theory that provides necessary and sufficient conditions for the existence of DFS. This theory allows us to identify a special new class of DFS that was not known before. Under particular circumstances, dynamics of a quantum system can connive together with
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.
Quantum dynamics of a single vortex.
Wallraff, A; Lukashenko, A; Lisenfeld, J; Kemp, A; Fistul, M V; Koval, Y; Ustinov, A V
2003-09-11
Vortices occur naturally in a wide range of gases and fluids, from macroscopic to microscopic scales. In Bose-Einstein condensates of dilute atomic gases, superfluid helium and superconductors, the existence of vortices is a consequence of the quantum nature of the system. Quantized vortices of supercurrent are generated by magnetic flux penetrating the material, and play a key role in determining the material properties and the performance of superconductor-based devices. At high temperatures the dynamics of such vortices are essentially classical, while at low temperatures previous experiments have suggested collective quantum dynamics. However, the question of whether vortex tunnelling occurs at low temperatures has been addressed only for large collections of vortices. Here we study the quantum dynamics of an individual vortex in a superconducting Josephson junction. By measuring the statistics of the vortex escape from a controllable pinning potential, we demonstrate the existence of quantized levels of the vortex energy within the trapping potential well and quantum tunnelling of the vortex through the pinning barrier. PMID:12968173
Role of controllability in optimizing quantum dynamics
Wu Rebing; Hsieh, Michael A.; Rabitz, Herschel
2011-06-15
This paper reveals an important role that controllability plays in the complexity of optimizing quantum control dynamics. We show that the loss of controllability generally leads to multiple locally suboptimal controls when gate fidelity in a quantum control system is maximized, which does not happen if the system is controllable. Such local suboptimal controls may attract an optimization algorithm into a local trap when a global optimal solution is sought, even if the target gate can be perfectly realized. This conclusion results from an analysis of the critical topology of the corresponding quantum control landscape, which refers to the gate fidelity objective as a functional of the control fields. For uncontrollable systems, due to SU(2) and SU(3) dynamical symmetries, the control landscape corresponding to an implementable target gate is proven to possess multiple locally optimal critical points, and its ruggedness can be further increased if the target gate is not realizable. These results imply that the optimization of quantum dynamics can be seriously impeded when operating with local search algorithms under these conditions, and thus full controllability is demanded.
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.
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.
NASA Astrophysics Data System (ADS)
Han, Jiu-Ning; Luo, Jun-Hua; Li, Jun-Xiu
2014-01-01
The nonlinear propagation of ion-acoustic solitary and shock waves in a dissipative, nonplanar quantum plasma comprised of electrons, positrons, and ions are studied. A modified Korteweg-de Vries Burgers equation is derived in the limit of low frequency and long wavelength by taking into account the kinematic viscosity among the plasma constituents. It is shown that this plasma system supports the propagation of both compressive and rarefactive nonlinear waves. The effects of variation of various plasma parameters on the time evolution of nonplanar solitary waves, the profile of shock waves, and the nonlinear structure induced by the collision of solitary waves are discussed. It is found that these parameters have significant effects on the properties of nonlinear waves in cylindrical and spherical geometries, and these effects for compressive and rarefactive nonlinear waves are obviously different.
Reply to "Comment on `Nonlinear fluctuations and dissipation in matter revealed by quantum light' "
NASA Astrophysics Data System (ADS)
Mukamel, Shaul; Dorfman, Konstantin E.
2015-11-01
We discuss the proper definition of the term "quantum spectroscopy." Since the response of matter to coherent states of the field is not necessarily classical, positivity of the Glauber-Sudarshan P representation as used by Kira et al. [Nat. Phys. 7, 799 (2011), 10.1038/nphys2091] does not imply that the response is classical. We show that classical and quantum spectroscopies may be unambiguously distinguished by formulating the signals in terms of multipoint field correlation functions.
Exploring the quantum frontier of spin dynamics
NASA Astrophysics Data System (ADS)
Bruno, Patrick
2011-03-01
Our familiar classical concept of a spin is that of a system characterized by the direction in which the spin is pointing. In this picture, we may think of the dynamics of a spin as the motion of a classical gyroscope, wich we can aptly describe the spin dynamics as the motion of a point on a sphere. This classical description of the spin dynamics, formalized in the Landau-Lifshits-Gilbert equation, has proved extremely successful in the field micro- and nanomagnetism. However, as the size of the system is further decreased (e.g., when considering molecular magnets such as the Fe 8 or Mn 12 systems, which have a spin S = 10), quantum effects such as tunneling, interference, entanglement, coherence, etc., play an essential role, and one must adopt a fully quantum mechanical description of the spin system. The landscape in which the system evolves is then no longer a mere sphere, but rather it is the projective Hilbert space (wich is the projective complex space <= P2S for a spin S) , as space of considerably greater richness and complexity than the sphere of classical spin dynamics. A very appealing tool to describe a quantum spin system is Majorana's stellar representation, which is the extension for a spin S of the Bloch sphere description of a spin / 1 2 . I shall discuss how this representation can help us in improving our understanding of fundamental quantum processes and concept such as Landau-Zener transitions, Rabi oscillations, Berry phase, diabolical points and illustrate this on the example of spin dynamics of molecular magnets.
Dynamics of quantum excitations in square ice
NASA Astrophysics Data System (ADS)
Castelnovo, Claudio; Kourtis, Stefanos
The study of emergent excitations in classical spin ice has culminated in the discovery of a condensed-matter realization of magnetic monopoles. In spin-ice materials where quantum fluctuations play an important role, excitations acquire quantum properties that promote them to more complicated and exciting objects. To understand these quantum excitations better in a relatively simple context, we construct a toy model of excited square ice and solve it both exactly by tuning it to a Rokhsar-Kivelson point and numerically for small clusters. We furthermore numerically evaluate the dynamic spin structure factor and compare it to effective free-particle theories. Our results offer a useful point of comparison for further theoretical and experimental work. Supported by ICAM branch contributions, EPSRC Grant No. EP/G049394/1, the Helmholtz Virtual Institute ``New States of Matter and Their Excitations'' and the EPSRC NetworkPlus on ``Emergence and Physics far from Equilibrium''.
Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approach.
Lee, Myeong H; Troisi, Alessandro
2016-06-01
Vibronic coupling between the electronic and vibrational degrees of freedom has been reported to play an important role in charge and exciton transport in organic photovoltaic materials, molecular aggregates, and light-harvesting complexes. Explicitly accounting for effective vibrational modes rather than treating them as a thermal environment has been shown to be crucial to describe the effect of vibronic coupling. We present a methodology to study dissipative quantum dynamics of vibronically coupled systems based on a surrogate Hamiltonian approach, which is in principle not limited by Markov approximation or weak system-bath interaction, using a vibronic basis. We apply vibronic surrogate Hamiltonian method to a linear chain system and discuss how different types of relaxation process, intramolecular vibrational relaxation and intermolecular vibronic relaxation, influence population dynamics of dissipative vibronic systems. PMID:27276944
Information-theoretical meaning of quantum-dynamical entropy
Alicki, Robert
2002-11-01
The theories of noncommutative dynamical entropy and quantum symbolic dynamics for quantum-dynamical systems are analyzed from the point of view of quantum information theory. Using a general quantum-dynamical system as a communication channel, one can define different classical capacities depending on the character of resources applied for encoding and decoding procedures and on the type of information sources. It is shown that for Bernoulli sources, the entanglement-assisted classical capacity, which is the largest one, is bounded from above by the quantum-dynamical entropy defined in terms of operational partitions of unity. Stronger results are proved for the particular class of quantum-dynamical systems--quantum Bernoulli shifts. Different classical capacities are exactly computed and the entanglement-assisted one is equal to the dynamical entropy in this case.
Dynamics of a driven quantum gas: Non-hermiticity, pseudo-spectra and phase transitions
NASA Astrophysics Data System (ADS)
Makris, Konstantinos; Kulkarni, Manas; Tureci, Hakan
2015-03-01
System of an optically driven quantum gas coupled to a single mode of a leaky cavity offers a unique platform to study open quantum systems. This system displays two exceptional points and a quantum critical point when the drive strength (equivalently, the light-matter coupling) is tuned. Here, we study the non-normal properties of this system especially near these special points. Adapting the rich mathematics behind the theory of pseudo-spectra, we characterize the open quantum phase transitions in this system by studying the fluctuations. Our method offers a novel way to understand physics near criticality beyond the traditional approach of arriving at a phase diagram using the semi-classical solutions arising from a mean field approach. We further show that the quench dynamics of a driven dissipative quantum gas displays a non-Markovian dynamics featuring substantial transient amplification of the photon flux near the critical point. We also investigate the non-Hermitian physics behind two-operator products thereby shining light on higher order quantum correlations in an open quantum system.
From Entropic Dynamics to Quantum Theory
Caticha, Ariel
2009-12-08
Non-relativistic quantum theory is derived from information codified into an appropriate statistical model. The basic assumption is that there is an irreducible uncertainty in the location of particles so that the configuration space is a statistical manifold. The dynamics then follows from a principle of inference, the method of Maximum Entropy. The concept of time is introduced as a convenient way to keep track of change. The resulting theory resembles both Nelson's stochastic mechanics and general relativity. The statistical manifold is a dynamical entity: its geometry determines the evolution of the probability distribution which, in its turn, reacts back and determines the evolution of the geometry. There is a new quantum version of the equivalence principle: 'osmotic' mass equals inertial mass. Mass and the phase of the wave function are explained as features of purely statistical origin.
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.
Separability and dynamical symmetry of Quantum Dots
Zhang, P.-M.; Zou, L.-P.; Horvathy, P.A.; Gibbons, G.W.
2014-02-15
The separability and Runge–Lenz-type dynamical symmetry of the internal dynamics of certain two-electron Quantum Dots, found by Simonović et al. (2003), are traced back to that of the perturbed Kepler problem. A large class of axially symmetric perturbing potentials which allow for separation in parabolic coordinates can easily be found. Apart from the 2:1 anisotropic harmonic trapping potential considered in Simonović and Nazmitdinov (2013), they include a constant electric field parallel to the magnetic field (Stark effect), the ring-shaped Hartmann potential, etc. The harmonic case is studied in detail. -- Highlights: • The separability of Quantum Dots is derived from that of the perturbed Kepler problem. • Harmonic perturbation with 2:1 anisotropy is separable in parabolic coordinates. • The system has a conserved Runge–Lenz type quantity.
NASA Astrophysics Data System (ADS)
Liu, Moubin; Meakin, Paul; Huang, Hai
2007-03-01
Multiphase fluid motion in microchannels and microchannel networks involves complicated fluid dynamics and is fundamentally important to diverse practical engineering applications such as ink-jet printing, DNA and protein micro-/nano-arraying, and fabrication of particles and capsules for controlled release of medicines. This paper presented the simulations of multiphase fluid motion in microchannels and microchannel networks using a modified dissipative particle dynamics method that employs a new conservative particle-particle interaction combining short-range repulsive and long-range attractive interactions to simulate multiphase systems. This new conservative particle-particle interaction allows the behavior of multiphase systems consisting of gases, liquids, and solids to be simulated. Three numerical examples that are closely related to engineering applications were simulated. These examples involve multiple fluid motions in (i) a simple microchannel within two parallel plates; (ii) an inverted Y-shaped microchannel junction consisting of a vertical channel that divides into two branch channels with the same aperture; and (iii) a microchannel network. The numerical results obtained by using DPD agreed well with those from other sources, and clearly demonstrated the potential value of this DPD method for modeling and analyzing multiphase flow in microchannels and microchannel networks.
Many-body dissipative particle dynamics simulation of liquid/vapor and liquid/solid interactions
Arienti, Marco; Pan, Wenxiao; Li, Xiaoyi; Karniadakis, George E.
2011-05-27
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, this study highlights the approximately cubic dependence of the surface tension coefficient on the bulk density of the fluid. 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. MDPD is augmented by a set of bell-shaped weight functions to model interaction with a solid wall. There, 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. Finally, the dynamics of droplets entering an inverted Y-shaped fracture junction is correctly captured in simulations parameterized by the Bond number, proving the flexibility of MDPD in modeling interface-dominated flows.
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).
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*.
NASA Astrophysics Data System (ADS)
Zhang, Sheng-Fei; Xu, Jun-Bo; Wen, Hao; Bhattacharjee, Subir
2011-08-01
Heavy crude oil consists of thousands of compounds, a significant fraction of which have fairly large molecular weights and complex structures. Our work aims at constructing a meso-scale platform to explore this complex fluid in terms of microstructure, phase behavior, stability and rheology. In the present study, we focus on the treatment of the structures of fused aromatic rings as rigid body fragments in fractions such as asphaltenes and resins. To derive the rotational motion of rigid bodies in a non-conservative force field, we conduct a comparison of three rigid body rotational algorithms integrated into a standard dissipative particle dynamics (DPD) simulation. The simulation results confirm the superiority of the Quaternion method. To ease any doubt concerning the introduction of rigid bodies into DPD, the performance of the Quaternion method was tested carefully. Finally, the aggregation dynamics of asphaltene in very diluted toluene was investigated. The nanoaggregates are found to experience forming, breaking up and reforming. The sizes of the asphaltene monomer and nanoaggregate are identified. The diffusion coefficient of diluted asphaltene in toluene is similar to that found experimentally. All these results verify the rotational algorithm and encourage us to extend this platform to study the rheological and colloidal characteristics of heavy crude oils in the future.
Modeling of advection-diffusion-reaction processes using transport dissipative particle dynamics
NASA Astrophysics Data System (ADS)
Li, Zhen; Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em
2015-11-01
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. In particular, 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 Lagrangian particles. To validate the proposed tDPD model and the boundary conditions, three benchmark simulations of one-dimensional diffusion with different boundary conditions are performed, and the results show excellent agreement with the theoretical solutions. Also, two-dimensional simulations of ADR systems are performed and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, an application of tDPD to the spatio-temporal dynamics of blood coagulation involving twenty-five reacting species is performed to demonstrate the promising biological applications of the tDPD model. Supported by the DOE Center on Mathematics for Mesoscopic Modeling of Materials (CM4) and an INCITE grant.
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.
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.
Classical and quantum dynamics in the (non-Hermitian) Swanson oscillator
NASA Astrophysics Data System (ADS)
Graefe, Eva-Maria; Jürgen Korsch, Hans; Rush, Alexander; Schubert, Roman
2015-02-01
The non-Hermitian quadratic oscillator known as the Swanson oscillator is one of the popular PT-symmetric model systems. Here a full classical description of its dynamics is derived using recently developed metriplectic flow equations, which combine the classical symplectic flow for Hermitian systems with a dissipative metric flow for the anti-Hermitian part. Closed form expressions for the metric and phase-space trajectories are presented which are found to be periodic in time. Since the Hamiltonian is only quadratic the classical dynamics exactly describe the quantum dynamics of Gaussian wave packets. It is shown that the classical metric and trajectories as well as the quantum wave functions can diverge in finite time even though the PT-symmetry is unbroken, i.e., the eigenvalues are purely real.
NASA Astrophysics Data System (ADS)
Makri, Nancy
2014-10-01
The real-time path integral representation of the reduced density matrix for a discrete system in contact with a dissipative medium is rewritten in terms of the number of blips, i.e., elementary time intervals over which the forward and backward paths are not identical. For a given set of blips, it is shown that the path sum with respect to the coordinates of all remaining time points is isomorphic to that for the wavefunction of a system subject to an external driving term and thus can be summed by an inexpensive iterative procedure. This exact decomposition reduces the number of terms by a factor that increases exponentially with propagation time. Further, under conditions (moderately high temperature and/or dissipation strength) that lead primarily to incoherent dynamics, the "fully incoherent limit" zero-blip term of the series provides a reasonable approximation to the dynamics, and the blip series converges rapidly to the exact result. Retention of only the blips required for satisfactory convergence leads to speedup of full-memory path integral calculations by many orders of magnitude.
Makri, Nancy
2014-10-07
The real-time path integral representation of the reduced density matrix for a discrete system in contact with a dissipative medium is rewritten in terms of the number of blips, i.e., elementary time intervals over which the forward and backward paths are not identical. For a given set of blips, it is shown that the path sum with respect to the coordinates of all remaining time points is isomorphic to that for the wavefunction of a system subject to an external driving term and thus can be summed by an inexpensive iterative procedure. This exact decomposition reduces the number of terms by a factor that increases exponentially with propagation time. Further, under conditions (moderately high temperature and/or dissipation strength) that lead primarily to incoherent dynamics, the “fully incoherent limit” zero-blip term of the series provides a reasonable approximation to the dynamics, and the blip series converges rapidly to the exact result. Retention of only the blips required for satisfactory convergence leads to speedup of full-memory path integral calculations by many orders of magnitude.
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.
Entanglement Dynamics of Disordered Quantum XY Chains
NASA Astrophysics Data System (ADS)
Abdul-Rahman, Houssam; Nachtergaele, Bruno; Sims, Robert; Stolz, Günter
2016-05-01
We consider the dynamics of the quantum XY chain with disorder under the general assumption that the expectation of the eigenfunction correlator of the associated one-particle Hamiltonian satisfies a decay estimate typical of Anderson localization. We show that, starting from a broad class of product initial states, entanglement remains bounded for all times. For the XX chain, we also derive bounds on the particle transport which, in particular, show that the density profile of initial states that consist of fully occupied and empty intervals only have significant dynamics near the edges of those intervals, uniformly for all times.
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.
Computer Visualization of Many-Particle Quantum Dynamics
NASA Astrophysics Data System (ADS)
Ozhigov, A. Y.
2009-03-01
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.
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, J.D.
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 {sup 3}B{sub 1} CH{sub 2} + {sup 1}{sigma}{sup +} 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{sub 3}COCl {yields} CH{sub 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.
Fedosov, Dmitry A.; Karniadakis, George Em; Caswell, Bruce
2010-01-01
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. PMID:20405981
NASA Astrophysics Data System (ADS)
Jamali, Safa; Boromand, Arman; Khani, Shaghayegh; Wagner, Jacob; Yamanoi, Mikio; Maia, Joao
2015-04-01
In this work, a generalized relation between the fluid compressibility, the Flory-Huggins interaction parameter (χ), and the simulation parameters in multi-body dissipative particle dynamics (MDPD) is established. This required revisiting the MDPD equation of state previously reported in the literature and developing general relationships between the parameters used in the MDPD model. We derive a relationship to the Flory-Huggins χ parameter for incompressible fluids similar to the work previously done in dissipative particle dynamics by Groot and Warren. The accuracy of this relationship is evaluated using phase separation in small molecules and the solubility of polymers in dilute solvent solutions via monitoring the scaling of the radius of gyration (Rg) for different solvent qualities. Finally, the dynamics of the MDPD fluid is studied with respect to the diffusion coefficient and the zero shear viscosity.
Zhang, Peng; Gao, Chao; Zhang, Na; Slepian, Marvin J.; Deng, Yuefan; Bluestein, Danny
2014-01-01
We developed a multiscale particle-based model of platelets, to study the transport dynamics of shear stresses between the surrounding fluid and the platelet membrane. This model facilitates a more accurate prediction of the activation potential of platelets by viscous shear stresses - one of the major mechanisms leading to thrombus formation in cardiovascular diseases and in prosthetic cardiovascular devices. The interface of the model couples coarse-grained molecular dynamics (CGMD) with dissipative particle dynamics (DPD). The CGMD handles individual platelets while the DPD models the macroscopic transport of blood plasma in vessels. A hybrid force field is formulated for establishing a functional interface between the platelet membrane and the surrounding fluid, in which the microstructural changes of platelets may respond to the extracellular viscous shear stresses transferred to them. The interaction between the two systems preserves dynamic properties of the flowing platelets, such as the flipping motion. Using this multiscale particle-based approach, we have further studied the effects of the platelet elastic modulus by comparing the action of the flow-induced shear stresses on rigid and deformable platelet models. The results indicate that neglecting the platelet deformability may overestimate the stress on the platelet membrane, which in turn may lead to erroneous predictions of the platelet activation under viscous shear flow conditions. This particle-based fluid-structure interaction multiscale model offers for the first time a computationally feasible approach for simulating deformable platelets interacting with viscous blood flow, aimed at predicting flow induced platelet activation by using a highly resolved mapping of the stress distribution on the platelet membrane under dynamic flow conditions. PMID:25530818
Quantum turbulence visualized by particle dynamics
NASA Astrophysics Data System (ADS)
La Mantia, M.; Skrbek, L.
2014-07-01
The Lagrangian dynamics of micrometer-sized solid particles of hydrogen and deuterium is investigated in thermal counterflow of superfluid He4 at length scales ℓexp straddling about two orders of magnitude across the average distance ℓ between quantized vortices by using the particle tracking velocimetry technique. The normalized probability distribution functions of the particle velocities and accelerations change from the shapes typical of quantum turbulence, characterized by power-law tails, at length scales ℓexp≲ℓ, to forms similar to those obtained in classical turbulent flows, at ℓexp≳ℓ, although the power-law behavior of the acceleration distribution tails is less clear than that observed for the particle velocities. Moreover, the acceleration distribution follows a nearly log-normal, classical-like shape, at ℓ ≲ℓexp≲Lint, where Lint denotes the integral length scale, providing thus, within the just defined inertial range, experimental evidence of the existence of classical-like, macroscopic vortical structures in thermal counterflow of superfluid He4, which is traditionally regarded as a quantum flow with no obvious classical analog. Additionally, we report our observations of the added mass effect in quantum turbulence and discuss them in the framework of a developed model of particle dynamics.
NASA Astrophysics Data System (ADS)
Li, Zhen; Lan, Chuanjin; Ma, Yanbao
2012-11-01
Liquid meniscus forms between the atomic force microscope (AFM) tip and the substrate under ambient humidity. The liquid meniscus affects the AFM measurements and plays an important role in dip-pen nanolithography. To understand the behaviors of the meniscus, a mesoscopic methodology called dissipative particle dynamics (DPD) is utilized to investigate the liquid meniscus confined between AFM tip and a solid surface. Results show that the structure of the liquid meniscus is highly dependent on the wettability properties of the tip and the substrate as well as the tip-to-surface distance. The area of liquid-solid interface increases as the wetting properties of the tip and substrate change from hydrophilic to hydrophobic, which results in a transition of the meniscus shape from convex to concave. The wetting properties of solid surface affect the process of the liquid meniscus breakup as the tip-to-surface distance increase. This nonlinear process is also affected by the surface tension of the liquid, thermal fluctuation and the speed of tip.
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.
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.
Dissipative particle dynamics study on directed self-assembly in holes
NASA Astrophysics Data System (ADS)
Nakano, T.; Matsukuma, M.; Matsuzaki, K.; Muramatsu, M.; Tomita, T.; Kitano, T.
2013-03-01
We report morphology of cylinder of diblock copolymers (BCP), which consist of polymer A and B, in cylindrical prepattern holes by dissipative particle dynamics simulation in order to predict optimal cylinder profile. Configuration of cylinder which consists of polymer B changes along with change of affinity of underlayer and guide wall for BCP. In the case of underlayer, neutral to both the polymer species shows the most stable cylinder shape. When affinity converts to either polymer, cylinder shape gets distorted. In the case of intergrading guide wall condition from A wet to B wet for a certain hole CD, polymer B, that constitutes cylinder, gradually loosen and stack on the guide eventually. Moreover cylinder forms again for B wet larger hole. Free energy for hole CD is also investigated and the profile shows A wet wall and B wet wall are suitable for hole shrink in a narrow and wide range of hole CD, respectively. Because free energy of A wet wall varies widely for hole CD change. In contrast, free energy of B wet wall exhibits no significant changes and the profiles signify that cylinder shapes relatively stable in wider range than A wet wall.
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. PMID:25622131
Dissipative Particle Dynamics Simulation of Polymer- and Cell-Wall Depletion in Micro-Channels
NASA Astrophysics Data System (ADS)
Fedosov, Dmitry A.; Caswell, Bruce; Em Karniadakis, George
2008-07-01
A rising interest in physics of biological systems stimulates a great number of experiments and numerical simulations involving a variety of biological entities. These include bio-polymers and bio-molecules, real organism vesicles and capsules, artificial vesicles used in drug delivery and cells. Macromolecules, vesicles and cells are subject to wall depletion layers observed near solid-fluid interfaces. In the case of red blood cells depletion is often called the cell-free layer and is observed near blood vessel walls. We employ Dissipative Particle Dynamics (DPD) to model depletion layers in biological systems. In case of bio-polymers the simulated depletion layers compare well with the asymptotic lattice theory solution of depletion near a repulsive wall. Vesicles and cells are modeled as coarse-grained cell membranes described by in-plane viscoelastic energy, bending energy, area and volume constraints. We investigate cell-wall depletion for cells having vesicle-like shape and red blood cells, and we correlate our results with membrane coarse-graining and with material properties such as membrane stretching and bending stiffness.
NASA Astrophysics Data System (ADS)
Sadiek, Gehad; Almalki, Samaher
2016-07-01
We consider a finite one-dimensional Heisenberg XYZ spin chain under the influence of a dissipative Lindblad environment obeying the Born-Markovian constraint in presence of an external magnetic field with closed and open boundary conditions. We present an exact numerical solution for the Lindblad master equation of the system in the Liouville space. The dynamics and asymptotic behavior of the nearest-neighbor and beyond-nearest-neighbor pairwise entanglements in the system are investigated under the effect of spatial anisotropy, temperature, system size, and different initial states. The entanglements in the free spin system exhibit nonuniform oscillatory behavior that varies significantly depending on the system size, anisotropy, and initial state. The x y spatial anisotropy dictates the asymptotic behavior of the different entanglements in the system under the influence of the environment regardless of the initial state. Higher anisotropy yields higher steady-state value of the nearest-neighbor entanglement whereas a complete isotropy wipes it out. The longer range entanglements respond differently to the anisotropy variation. The anisotropy in the z direction may enhance the entanglements depending on the interplay with the magnetic field applied in the same direction. As the temperature is raised, the steady state of the short-range entanglements is found to be robust within very small nonzero temperature range that depends critically on the spatial anisotropy. Moreover, the end to end entanglement transfer time and speed through the open boundary chain vary considerably based on the degree of anisotropy and temperature of the environment.
Time-dependent and outflow boundary conditions for Dissipative Particle Dynamics
Lei Huan; Fedosov, Dmitry A.; Karniadakis, George Em
2011-05-10
We propose a simple method to impose both no-slip boundary conditions at fluid-wall interfaces and at outflow boundaries in fully developed regions for Dissipative Particle Dynamics (DPD) fluid systems. The procedure to enforce the no-slip condition is based on a velocity-dependent shear force, which is a generalized force to represent the presence of the solid-wall particles and to maintain locally thermodynamic consistency. We show that this method can be implemented in both steady and time-dependent fluid systems and compare the DPD results with the continuum limit (Navier-Stokes) results. We also develop a force-adaptive method to impose the outflow boundary conditions for fully developed flow with unspecified outflow velocity profile or pressure value. We study flows over the backward-facing step and in idealized arterial bifurcations using a combination of the two new boundary methods with different flow rates. Finally, we explore the applicability of the outflow method in time-dependent flow systems. The outflow boundary method works well for systems with Womersley number of O(1), i.e. when the pressure and flowrate at the outflow are approximately in-phase.
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.
NASA Astrophysics Data System (ADS)
English, Niall J.; Clarke, Elaine T.
2013-09-01
Equilibrium and non-equilibrium molecular dynamics (MD) simulations have been performed to investigate thermal-driven break-up of planar CO2 hydrate interfaces in liquid water at 300-320 K. Different guest compositions, at 85%, 95%, and 100% of maximum theoretical occupation, led to statistically-significant differences in the observed initial dissociation rates. The melting temperatures of each interface were estimated, and dissociation rates were observed to be strongly dependent on temperature, with higher dissociation rates at larger over-temperatures vis-à-vis melting. A simple coupled mass and heat transfer model developed previously was applied to fit the observed dissociation profiles, and this helps to identify clearly two distinct régimes of break-up; a second well-defined region is essentially independent of composition and temperature, in which the remaining nanoscale, de facto two-dimensional system's lattice framework is intrinsically unstable. From equilibrium MD of the two-phase systems at their melting point, the relaxation times of the auto-correlation functions of fluctuations in number of enclathrated guest molecules were used as a basis for comparison of the variation in the underlying, non-equilibrium, thermal-driven dissociation rates via Onsager's hypothesis, and statistically significant differences were found, confirming the value of a fluctuation-dissipation approach in this case.
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)
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.
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.
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. PMID:27553301
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. PMID:26235000
An insight into polymerization-induced self-assembly by dissipative particle dynamics simulation.
Huang, Feng; Lv, Yisheng; Wang, Liquan; Xu, Pengxiang; Lin, Jiaping; Lin, Shaoliang
2016-08-14
Polymerization-induced self-assembly is a one-pot route to produce concentrated dispersions of block copolymer nano-objects. Herein, dissipative particle dynamics simulations with a reaction model were employed to investigate the behaviors of polymerization-induced self-assembly. The polymerization kinetics in the polymerization-induced self-assembly were analyzed by comparing with solution polymerization. It was found that the polymerization rate enhances in the initial stage and decreases in the later stage. In addition, the effects of polymerization rate, length of macromolecular initiators, and concentration on the aggregate morphologies and formation pathway were studied. The polymerization rate and the length of the macromolecular initiators are found to have a marked influence on the pathway of the aggregate formations and the final structures. Morphology diagrams were mapped correspondingly. A comparison between simulation results and experimental findings is also made and an agreement is shown. This work can enrich our knowledge about polymerization-induced self-assembly. PMID:27414465
On the connection between dissipative particle dynamics and the Itô-Stratonovich dilemma.
Farago, Oded; Grønbech-Jensen, Niels
2016-02-28
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. PMID:26931676
Mao, Runfang; Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V
2015-09-01
Using dissipative particle dynamics (DPD) simulations, we explore the specifics of micellization in the solutions of anionic and cationic surfactants and their mixtures. Anionic surfactant sodium dodecyl sulfate (SDS) and cationic surfactant cetyltrimethylammonium bromide (CTAB) are chosen as characteristic examples. Coarse-grained models of the surfactants are constructed and parameterized using a combination of atomistic molecular simulation and infinite dilution activity coefficient calibration. Electrostatic interactions of charged beads are treated using a smeared charge approximation: the surfactant heads and dissociated counterions are modeled as beads with charges distributed around the bead center in an implicit dielectric medium. The proposed models semiquantitatively describe self-assembly in solutions of SDS and CTAB at various surfactant concentrations and molarities of added electrolyte. In particular, the model predicts a decline in the free surfactant concentration with the increase of the total surfactant loading, as well as characteristic aggregation transitions in single-component surfactant solutions caused by the addition of salt. The calculated values of the critical micelle concentration reasonably agree with experimental observations. Modeling of catanionic SDS-CTAB mixtures show consecutive transitions to worm-like micelles and then to vesicles caused by the addition of CTAB to micellar solution of SDS. PMID:26241704
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.
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. PMID:26764788
Ibergay, Cyrille; Malfreyt, Patrice; Tildesley, Dominic J
2009-12-01
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. PMID:26602508
Dynamics of entanglement and quantum discord in the Tavis–Cummings model
NASA Astrophysics Data System (ADS)
Restrepo, Juliana; Rodríguez, Boris A.
2016-06-01
We revisit the problem of the dynamics of quantum correlations in the Tavis–Cummings model. Our results show that the dynamics of entanglement and quantum discord are far from being trivial or intuitive. We find states with the same entanglement but different discord and states where the two quantifiers give opposite information about correlations at a certain time. We furthermore 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 characteristic quantum nonlinearity of the model and to the choice of initial conditions. Through a comprehensive analysis of pure and mixed initial conditions, we find a fascinating range of phenomena that can be used for experimental purposes. We propose an experiment called quantum discord gates where for a given pure initial condition discord is zero or non-zero depending on the number of photons in the cavity. Given the marginal character of states with zero discord this result is not only completely counterintuitive but is also useful as a way to count photons.
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.
Open systems dynamics for propagating quantum fields
NASA Astrophysics Data System (ADS)
Baragiola, Ben Quinn
In this dissertation, I explore interactions between matter and propagating light. The electromagnetic field is modeled as a Markovian reservoir of quantum harmonic oscillators successively streaming past a quantum system. Each weak and fleeting interaction entangles the light and the system, and the light continues its course. In the context of quantum tomography or metrology one attempts, using measure- ments of the light, to extract information about the quantum state of the system. An inevitable consequence of these measurements is a disturbance of the system's quantum state. These ideas focus on the system and regard the light as ancillary. It serves its purpose as a probe or as a mechanism to generate interesting dynamics or system states but is eventually traced out, leaving the reduced quantum state of the system as the primary mathematical subject. What, then, when the state of light itself harbors intrinsic self-entanglement? One such set of states, those where a traveling wave packet is prepared with a defi- nite number of photons, is a focal point of this dissertation. These N-photon states are ideal candidates as couriers in quantum information processing device. In con- trast to quasi-classical states, such as coherent or thermal fields, N-photon states possess temporal mode entanglement, and local interactions in time have nonlocal consequences. The reduced state of a system probed by an N-photon state evolves in a non-Markovian way, and to describe its dynamics one is obliged to keep track of the field's evolution. I present a method to do this for an arbitrary quantum system using a set of coupled master equations. Many models set aside spatial degrees of freedom as an unnecessary complicating factor. By doing so the precision of predictions is limited. Consider a ensemble of cold, trapped atomic spins dispersively probed by a paraxial laser beam. Atom-light coupling across the ensemble is spatially inhomogeneous as is the radiation pattern of
Fundamental aspects of quantum Brownian motion
Haenggi, Peter; Ingold, Gert-Ludwig
2005-06-01
With this work we elaborate on the physics of quantum noise in thermal equilibrium and in stationary nonequilibrium. Starting out from the celebrated quantum fluctuation-dissipation theorem we discuss some important consequences that must hold for open, dissipative quantum systems in thermal equilibrium. The issue of quantum dissipation is exemplified with the fundamental problem of a damped harmonic quantum oscillator. The role of quantum fluctuations is discussed in the context of both, the nonlinear generalized quantum Langevin equation and the path integral approach. We discuss the consequences of the time-reversal symmetry for an open dissipative quantum dynamics and, furthermore, point to a series of subtleties and possible pitfalls. The path integral methodology is applied to the decay of metastable states assisted by quantum Brownian noise.
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.
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.
NASA Astrophysics Data System (ADS)
Yang, W. L.; Yin, Z. Q.; Xu, Z. Y.; Feng, M.; Oh, C. H.
2011-10-01
We investigate dynamics of a laser-driven and dissipative system consisting of two nitrogen-vacancy (N-V) centers embedded in two spatially separated single-mode nanocavities in a planar photonic crystal (PC). Spontaneous emission from the excited states of the N-V centers can be effectively suppressed by virtue of the Raman transition in the dispersive regime. The system displays a series of damped oscillations under various experimental situations, where we solve the time-dependent Schrödinger equation analytically for arbitrary values of the hopping and PC-N-V coupling strengths. In particular, our results indicate that some special values should be taken for the hopping strength if we hope to have high-fidelity quantum state transfer between the two distant N-V centers. We have also analyzed the relevant entanglement dynamics in the presence of decoherence. The experimental feasibility and challenge are justified using currently available technology.
High fidelity quantum memory via dynamical decoupling: theory and experiment
NASA Astrophysics Data System (ADS)
Peng, Xinhua; Suter, Dieter; Lidar, Daniel A.
2011-08-01
Quantum information processing requires overcoming decoherence—the loss of 'quantumness' due to the inevitable interaction between the quantum system and its environment. One approach towards a solution is quantum dynamical decoupling—a method employing strong and frequent pulses applied to the qubits. Here we report on the first experimental test of the concatenated dynamical decoupling (CDD) scheme, which invokes recursively constructed pulse sequences. Using nuclear magnetic resonance, we demonstrate a near order of magnitude improvement in the decay time of stored quantum states. In conjunction with recent results on high fidelity quantum gates using CDD, our results suggest that quantum dynamical decoupling should be used as a first layer of defense against decoherence in quantum information processing implementations, and can be a stand-alone solution in the right parameter regime.
Quantum walk coherences on a dynamical percolation graph
NASA Astrophysics Data System (ADS)
Elster, Fabian; Barkhofen, Sonja; Nitsche, Thomas; Novotný, Jaroslav; Gábris, Aurél; Jex, Igor; Silberhorn, Christine
2015-08-01
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.
NASA Astrophysics Data System (ADS)
Jepps, Owen G.; Rondoni, Lamberto
2016-04-01
We review the notions of the dissipation function and T-mixing for non-invariant measures, recently introduced for nonequilibrium molecular dynamics models. We provide a dynamical-systems interpretation for the dissipation function and related results, providing new perspectives into results such as the second-law inequality. We then consider the problem of relaxation within this framework—the convergence of time averages along single phase-space trajectories, as opposed to the convergence of ensemble averages. As a first step in this direction, we observe that T-mixing implies convergence to a unique asymptotic ensemble, independent on the initial ensemble. In particular, the initial ensemble can be concentrated arbitrarily closely to any point in phase-space.
Coarse grained open system quantum dynamics
Thanopulos, Ioannis; Brumer, Paul; Shapiro, Moshe
2008-11-21
We show that the quantum dynamics of a system comprised of a subspace Q coupled to a larger subspace P can be recast as a reduced set of 'coarse grained' ordinary differential equations with constant coefficients. These equations can be solved by a single diagonalization of a general complex matrix. The method makes no assumptions about the strength of the couplings between the Q and the P subspaces, nor is there any limitation on the initial population in P. The utility of the method is demonstrated via computations in three following areas: molecular compounds, photonic materials, and condensed phases.
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
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.
NASA Astrophysics Data System (ADS)
Levi, E. K.; Irish, E. K.; Lovett, B. W.
2016-04-01
The interplay between an open quantum system and its environment can lead to both coherent and incoherent behavior. We explore the extent to which strong coupling to a single bosonic mode can alter the coherence properties of a two-level system in a structured environment. This mode is treated exactly, with the rest of the environment comprising a Markovian bath of bosonic modes. The strength of the coupling between the two-level system and the single mode is varied for a variety of forms for the bath spectral density in order to assess whether the coherent dynamics of the two-level system are modified. We find a clear renormalization of the site population oscillation frequency that causes an altered interaction with the bath. This leads to enhanced or reduced coherent behavior of the two-level system, depending on the form of the spectral density function. We present an intuitive interpretation, based on an analytical model, to explain the behavior.
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.
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.
Dynamical Causal Modeling from a Quantum Dynamical Perspective
NASA Astrophysics Data System (ADS)
Demiralp, Emre; Demiralp, Metin
2010-09-01
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.
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.
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.
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.
NASA Astrophysics Data System (ADS)
Tallury, Syamal S.; Spontak, Richard J.; Pasquinelli, Melissa A.
2014-12-01
As thermoplastic elastomers, triblock copolymers constitute an immensely important class of shape-memory soft materials due to their unique ability to form molecular networks stabilized by physical, rather than chemical, cross-links. The extent to which such networks develop in triblock and higher-order multiblock copolymers is sensitive to the formation of midblock bridges, which serve to connect neighboring microdomains. In addition to bridges, copolymer molecules can likewise form loops and dangling ends upon microphase separation or they can remain unsegregated. While prior theoretical and simulation studies have elucidated the midblock bridging fraction in triblock copolymer melts, most have only considered strongly segregated systems wherein dangling ends and unsegregated chains become relatively insignificant. In this study, simulations based on dissipative particle dynamics are performed to examine the self-assembly and networkability of moderately segregated triblock copolymers. Utilizing a density-based cluster-recognition algorithm, we demonstrate how the simulations can be analyzed to extract information about microdomain formation and permit explicit quantitation of the midblock bridging, looping, dangling, and unsegregated fractions for linear triblock copolymers varying in chain length, molecular composition, and segregation level. We show that midblock conformations can be sensitive to variations in chain length, molecular composition, and bead repulsion, and that a systematic investigation can be used to identify the onset of strong segregation where the presence of dangling and unsegregated fractions are minimal. In addition, because this clustering approach is robust, it can be used with any particle-based simulation method to quantify network formation of different morphologies for a wide range of triblock and higher-order multiblock copolymer systems.
Tallury, Syamal S; Spontak, Richard J; Pasquinelli, Melissa A
2014-12-28
As thermoplastic elastomers, triblock copolymers constitute an immensely important class of shape-memory soft materials due to their unique ability to form molecular networks stabilized by physical, rather than chemical, cross-links. The extent to which such networks develop in triblock and higher-order multiblock copolymers is sensitive to the formation of midblock bridges, which serve to connect neighboring microdomains. In addition to bridges, copolymer molecules can likewise form loops and dangling ends upon microphase separation or they can remain unsegregated. While prior theoretical and simulation studies have elucidated the midblock bridging fraction in triblock copolymer melts, most have only considered strongly segregated systems wherein dangling ends and unsegregated chains become relatively insignificant. In this study, simulations based on dissipative particle dynamics are performed to examine the self-assembly and networkability of moderately segregated triblock copolymers. Utilizing a density-based cluster-recognition algorithm, we demonstrate how the simulations can be analyzed to extract information about microdomain formation and permit explicit quantitation of the midblock bridging, looping, dangling, and unsegregated fractions for linear triblock copolymers varying in chain length, molecular composition, and segregation level. We show that midblock conformations can be sensitive to variations in chain length, molecular composition, and bead repulsion, and that a systematic investigation can be used to identify the onset of strong segregation where the presence of dangling and unsegregated fractions are minimal. In addition, because this clustering approach is robust, it can be used with any particle-based simulation method to quantify network formation of different morphologies for a wide range of triblock and higher-order multiblock copolymer systems. PMID:25554184
Electrostatics in dissipative particle dynamics using Ewald sums with point charges.
Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Goicochea, Armando Gama
2016-10-26
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. PMID:27541198
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.
NASA Astrophysics Data System (ADS)
Roostaei, Bahman; Fertig, H. A.; Mullen, K. J.; Simon, Steven
2007-03-01
Electrons in a closely spaced bilayer semiconductor structure, such as a double quantum well, are thought to form an interlayer coherent state when a perpendicular magnetic field is applied such that the total Landau level filling factor ν is 1. When the Zeeman energy is sufficiently large to polarize electron spins, the low energy excitations are thought to be topological pseudospin meron-antimeron pairs[1]. These objects carry charge ±e/2,vorticity, and electric dipole moments perpendicular to the layers. Disorder is likely to unbind merons from antimerons and allow them to diffuse through the system independently[2]. Due to their different dipole moments, the various types of merons and antimerons may then in principle be distinguished in transport activation energies by an interlayer bias potential. We report on estimates of these energy differences in various circumstances, and discuss the connection of our results with recent experiments[3].[1]K.Moon,et. al., PRB 51,5138(1995). [2]H.A.Fertig,G.Murthy, PRL 95,156802(2005). [3]R.D.Wiersma,et.al., PRL 93,266805(2004).
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.
Giri, Bapun K; Mitra, Chiranjit; Panigrahi, Prasanta K; Iyengar, A N Sekar
2014-12-01
The multiscale dynamics of glow discharge plasma is analysed through wavelet transform, whose scale dependent variable window size aptly captures both transients and non-stationary periodic behavior. The optimal time-frequency localization ability of the continuous Morlet wavelet is found to identify the scale dependent periodic modulations efficiently, as also the emergence of neutral turbulence and dissipation, whereas the discrete Daubechies basis set has been used for detrending the temporal behavior to reveal the multi-fractality of the underlying dynamics. The scaling exponents and the Hurst exponent have been estimated through wavelet based detrended fluctuation analysis, and also Fourier methods and rescale range analysis. PMID:25554055
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.
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.
De Sitter Space Without Dynamical Quantum Fluctuations
NASA Astrophysics Data System (ADS)
Boddy, Kimberly K.; Carroll, Sean M.; Pollack, Jason
2016-03-01
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.
Quantum phases and dynamics of geometric phase in a quantum spin chain under linear quench
NASA Astrophysics Data System (ADS)
Sarkar, S.; Basu, B.
2012-12-01
We study the quantum phases of anisotropic XY spin chain in presence and absence of adiabatic quench. A connection between geometric phase and criticality is established from the dynamical behavior of the geometric phase for a quench induced quantum phase transition in a quantum spin chain. We predict XX criticality associated with a sequence of non-contractible geometric phases.
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. PMID:25527919
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.
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.
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
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
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
Measurement and Information Extraction in Complex Dynamics Quantum Computation
NASA Astrophysics Data System (ADS)
Casati, Giulio; Montangero, Simone
Quantum Information processing has several di.erent applications: some of them can be performed controlling only few qubits simultaneously (e.g. quantum teleportation or quantum cryptography) [1]. Usually, the transmission of large amount of information is performed repeating several times the scheme implemented for few qubits. However, to exploit the advantages of quantum computation, the simultaneous control of many qubits is unavoidable [2]. This situation increases the experimental di.culties of quantum computing: maintaining quantum coherence in a large quantum system is a di.cult task. Indeed a quantum computer is a many-body complex system and decoherence, due to the interaction with the external world, will eventually corrupt any quantum computation. Moreover, internal static imperfections can lead to quantum chaos in the quantum register thus destroying computer operability [3]. Indeed, as it has been shown in [4], a critical imperfection strength exists above which the quantum register thermalizes and quantum computation becomes impossible. We showed such e.ects on a quantum computer performing an e.cient algorithm to simulate complex quantum dynamics [5,6].
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.
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
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.
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
Geometry and dynamics of one-norm geometric quantum discord
NASA Astrophysics Data System (ADS)
Huang, Zhiming; Qiu, Daowen; Mateus, Paulo
2016-01-01
We investigate the geometry of one-norm geometric quantum discord and present a geometric interpretation of one-norm geometric quantum discord for a class of two-qubit states. It is found that one-norm geometric quantum discord has geometric behavior different from that described in Lang and Caves (Phys Rev Lett 105:150501, 2010), Li et al. (Phys Rev A 83:022321, 2011) and Yao et al. (Phys Lett A 376:358-364, 2012). We also compare the dynamics of the one-norm geometric quantum discord and other measures of quantum correlations under correlated noise. It is shown that different decoherent channels bring different influences to quantum correlations measured by concurrence, entropic quantum discord and geometric quantum discord, which depend on the memory parameter and decoherence parameter. We lay emphasis on the behaviors such as entanglement sudden death and sudden transition of quantum discord. Finally, we study the dynamical behavior of one-norm geometric quantum discord in one-dimensional anisotropic XXZ model by utilizing the quantum renormalization group method. It is shown that the one-norm geometric quantum discord demonstrates quantum phase transition through renormalization group approach.
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.
New methods for quantum mechanical reaction dynamics
Thompson, W.H. |
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{sup 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{sup -} can be a very useful method for obtaining detailed information about the neutral ABC potential energy surface, particularly if the ABC{sup -} geometry is similar to the transition state of the neutral ABC. Total and arrangement-selected photodetachment spectra are calculated for the H{sub 3}O{sup -} system, providing information about the potential energy surface for the OH + H{sub 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 Boltzmannized flux operator.
An Integrated Hierarchical Dynamic Quantum Secret Sharing Protocol
NASA Astrophysics Data System (ADS)
Mishra, Sandeep; Shukla, Chitra; Pathak, Anirban; Srikanth, R.; Venugopalan, Anu
2015-09-01
Generalizing the notion of dynamic quantum secret sharing (DQSS), a simplified protocol for hierarchical dynamic quantum secret sharing (HDQSS) is proposed and it is shown that the protocol can be implemented using any existing protocol of quantum key distribution, quantum key agreement or secure direct quantum communication. The security of this proposed protocol against eavesdropping and collusion attacks is discussed with specific attention towards the issues related to the composability of the subprotocols that constitute the proposed protocol. The security and qubit efficiency of the proposed protocol is also compared with that of other existing protocols of DQSS. Further, it is shown that it is possible to design a semi-quantum protocol of HDQSS and in principle, the protocols of HDQSS can be implemented using any quantum state. It is also noted that the completely orthogonal-state-based realization of HDQSS protocol is possible and that HDQSS can be experimentally realized using a large number of alternative approaches.
Application of Non-Equilibrium Thermo Field Dynamics to quantum teleportation under the environment
NASA Astrophysics Data System (ADS)
Kitajima, S.; Arimitsu, T.; Obinata, M.; Yoshida, K.
2014-06-01
Quantum teleportation for continuous variables is treated by Non-Equilibrium Thermo Field Dynamics (NETFD), a canonical operator formalism for dissipative quantum systems, in order to study the effect of imperfect quantum entanglement on quantum communication. We used an entangled state constructed by two squeezed states. The entangled state is imperfect due to two reasons, i.e., one is the finiteness of the squeezing parameter r and the other comes from the process that the squeezed states are created under the dissipative interaction with the environment. We derive the expressions for one-shot fidelity (OSF), probability density function (PDF) associated with OSF and (averaged) fidelity by making full use of the algebraic manipulation of operator algebra within NETFD. We found that OSF and PDF are given by Gaussian forms with its peak at the original information α to be teleported, and that for r≫1 the variances of these quantities blow up to infinity for κ/χ≤1, while they approach to finite values for κ/χ>1. Here, χ represents the intensity of a degenerate parametric process, and κ the relaxation rate due to the interaction with the environment. The blow-up of the variances for OSF and PDF guarantees higher security against eavesdropping. With the blow-up of the variances, the height of PDF reduces to small because of the normalization of probability, while the height of OSF approaches to 1 indicating a higher performance of the quantum teleportation. We also found that in the limit κ/χ≫1 the variances of both OSF and PDF for any value of r (>0) reduce to 1 which is the same value as the case r=0, i.e., no entanglement.
NASA Astrophysics Data System (ADS)
Hasegawa, Hideo
2011-11-01
We have studied dynamical responses and the Jarzynski equality (JE) of classical open systems described by the generalized Caldeira-Leggett model with the nonlocal system-bath coupling. In the derived non-Markovian Langevin equation, the nonlinear nonlocal dissipative term and state-dependent diffusion term yielding multiplicative colored noise satisfy the fluctuation-dissipation relation. Simulation results for harmonic oscillator systems have shown the following: (a) averaged responses of the system
Ishizaki, Akihito; Fleming, Graham R
2009-06-21
A new quantum dynamic equation for excitation energy transfer is developed which can describe quantum coherent wavelike motion and incoherent hopping in a unified manner. The developed equation reduces to the conventional Redfield theory and Forster theory in their respective limits of validity. In the regime of coherent wavelike motion, the equation predicts several times longer lifetime of electronic coherence between chromophores than does the conventional Redfield equation. Furthermore, we show quantum coherent motion can be observed even when reorganization energy is large in comparison to intersite electronic coupling (the Forster incoherent regime). In the region of small reorganization energy, slow fluctuation sustains longer-lived coherent oscillation, whereas the Markov approximation in the Redfield framework causes infinitely fast fluctuation and then collapses the quantum coherence. In the region of large reorganization energy, sluggish dissipation of reorganization energy increases the time electronic excitation stays above an energy barrier separating chromophores and thus prolongs delocalization over the chromophores. PMID:19548715
Quench dynamics and relaxation in isolated integrable quantum spin chains
NASA Astrophysics Data System (ADS)
Essler, Fabian H. L.; Fagotti, Maurizio
2016-06-01
We review the dynamics after quantum quenches in integrable quantum spin chains. We give a pedagogical introduction to relaxation in isolated quantum systems, and discuss the description of the steady state by (generalized) Gibbs ensembles. We then turn to general features in the time evolution of local observables after the quench, using a simple model of free fermions as an example. In the second part we present an overview of recent progress in describing quench dynamics in two key paradigms for quantum integrable models, the transverse field Ising chain and the anisotropic spin-1/2 Heisenberg chain.
Protected quantum computing: interleaving gate operations with dynamical decoupling sequences.
Zhang, Jingfu; Souza, Alexandre M; Brandao, Frederico Dias; Suter, Dieter
2014-02-01
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. PMID:24580577
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.
NASA Astrophysics Data System (ADS)
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.
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
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.
Non-Markovian dynamics of an open quantum system with nonstationary coupling.
Kalandarov, S A; Kanokov, Z; Adamian, G G; Antonenko, N V; Scheid, W
2011-04-01
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. PMID:21599112
Quantum versus classical hyperfine-induced dynamics in a quantum dota)
NASA Astrophysics Data System (ADS)
Coish, W. A.; Loss, Daniel; Yuzbashyan, E. A.; Altshuler, B. L.
2007-04-01
In this article we analyze spin dynamics for electrons confined to semiconductor quantum dots due to the contact hyperfine interaction. We compare mean-field (classical) evolution of an electron spin in the presence of a nuclear field with the exact quantum evolution for the special case of uniform hyperfine coupling constants. We find that (in this special case) the zero-magnetic-field dynamics due to the mean-field approximation and quantum evolution are similar. However, in a finite magnetic field, the quantum and classical solutions agree only up to a certain time scale t <τc, after which they differ markedly.
NASA Astrophysics Data System (ADS)
Srisangyingcharoen, P.; Klinkla, R.; Boonchui, S.
2015-11-01
The quantum history approach is applied to investigate the first-photon emission of a quantum dot induced by propagating surface plasmons. The dynamics of the emission is described through the partitioning dynamics of a quantum system. The extended probability distribution which correspond to the photon emission rate is directly calculated. In the case that the Markov's approximation is satisfied, the well known double decay character of the first-photon emission is obtained accompanying with the analytic expression of decay amplitudes which has never been derived before. This is a merit of our approach which allows us to analytically investigate this interacting quantum system and goes beyond the master equation approach.
Dynamic homotopy and landscape dynamical set topology in quantum control
Dominy, Jason; Rabitz, Herschel
2012-08-15
We examine the topology of the subset of controls taking a given initial state to a given final state in quantum control, where 'state' may mean a pure state Double-Vertical-Line {psi}>, an ensemble density matrix {rho}, or a unitary propagator U(0, T). The analysis consists in showing that the endpoint map acting on control space is a Hurewicz fibration for a large class of affine control systems with vector controls. Exploiting the resulting fibration sequence and the long exact sequence of basepoint-preserving homotopy classes of maps, we show that the indicated subset of controls is homotopy equivalent to the loopspace of the state manifold. This not only allows us to understand the connectedness of 'dynamical sets' realized as preimages of subsets of the state space through this endpoint map, but also provides a wealth of additional topological information about such subsets of control space.
NASA Astrophysics Data System (ADS)
Bjerke, Todd W.; Lambros, John
2003-06-01
A thermally dissipative cohesive zone model is developed for predicting the temperature increase at the tip of a crack propagating dynamically in a nominally brittle material exhibiting a cohesive-type failure such as crazing. The model assumes that fracture energy supplied to the crack tip region that is in excess of that needed for the creation of new free surfaces during crack advance is converted to heat within the cohesive zone. Bulk dissipation mechanisms, such as plasticity, are not accounted for. Several cohesive traction laws are examined, and the model is then used to make predictions of crack tip heating at various crack propagation speeds in the nominally brittle amorphous polymer PMMA, observed to fail by a crazing-type mechanism. The heating predictions are compared to experimental data where the temperature field surrounding a high speed crack in PMMA was measured. Measurements are made in real time using a multi-point high speed HgCdTe infrared radiation detector array. At the same time as temperature, simultaneous measurement of fracture energy is made by a strain gauge technique, and crack tip speed is monitored through a resistance ladder method. Material strength can be estimated through uniaxial tension tests, thus minimizing the need for parameter fitting in the stress-opening traction law. Excellent agreement between experiments and theory is found for two of the cohesive traction law temperature predictions, but only for the case where a single craze is active during the dynamic fracture of PMMA, i.e. crack tip speed up to approximately 0.2 cR. For higher speed fracture where subsurface damage becomes prominent, the line dissipation model of a cohesive zone is inadequate, and a distributed damage model is needed.
Dynamics of Spin-(1)/(2) Quantum Plasmas
NASA Astrophysics Data System (ADS)
Marklund, Mattias; Brodin, Gert
2007-01-01
The fully nonlinear governing equations for spin-(1)/(2) quantum plasmas are presented. Starting from the Pauli equation, the relevant plasma equations are derived, and it is shown that nontrivial quantum spin couplings arise, enabling studies of the combined collective and spin dynamics. The linear response of the quantum plasma in an electron-ion system is obtained and analyzed. Applications of the theory to solid state and astrophysical systems as well as dusty plasmas are pointed out.
Dynamics of spin-1/2 quantum plasmas.
Marklund, Mattias; Brodin, Gert
2007-01-12
The fully nonlinear governing equations for spin-1/2 quantum plasmas are presented. Starting from the Pauli equation, the relevant plasma equations are derived, and it is shown that nontrivial quantum spin couplings arise, enabling studies of the combined collective and spin dynamics. The linear response of the quantum plasma in an electron-ion system is obtained and analyzed. Applications of the theory to solid state and astrophysical systems as well as dusty plasmas are pointed out. PMID:17358613
Quantum dynamics of interacting spins mediated by phonons and photons
NASA Astrophysics Data System (ADS)
Senko, Crystal
2015-03-01
Techniques that enable robust, controllable interactions among quantum particles are now being actively explored. They constitute a key ingredient for quantum information processing and quantum simulations. We describe two atom-based platforms to experimentally realize and study quantum dynamics with controllable, long-range spin-spin interactions. Using trapped atomic ions, we implemented tunable spin-spin interactions mediated by optical dipole forces, which represent a new approach to study quantum magnetism. This platform has enabled sophisticated manipulations of more than 10 spins, and realization of quantum simulations of integer-spin chains. In a separate set of experiments we realized a hybrid system in which single photons, confined to sub-wavelength dimensions with a photonic crystal cavity, are coupled to single trapped neutral atoms. Extending this architecture to multiple atoms enables photon-induced quantum gates, and tunable spin-spin interactions, between distant atoms.
NASA Astrophysics Data System (ADS)
Salehi-Fashami, Mohammad; Atulasimha, Jayasimha; Bandyopadhyay, Supriyo
2012-02-01
Stress induced magnetization dynamics of dipole coupled multiferroic nanomagnet arrays is modeled by solving the Landau-Lifshitz-Gilbert (LLG) equation. We show that in such multiferroic nanomagnets, consisting of magnetostrictive layers elastically coupled to piezoelectric layers, the single domain magnetization can be rotated by a large angle (˜ 90^o) in ˜ 1 ns if a tiny voltage of a few tens of millivolts is applied across the piezoelectric layer [Nanotechnology, 22, 155201, 2011, Appl. Phys. Lett. 99, 063108, 2011]. Arrays of such multiferroic nanomagnets can be laid out in specific geometric patterns to implement combinational and sequential logic circuits by exploiting inter-magnet dipole coupling and Bennett clocked with specific stress cycles to propagate logic bits and implement dynamic logic. In this work, we theoretically demonstrate logic propagation in and fan-out characteristics of a universal NAND gate and discuss energy dissipation in the magnet and in the external clock. We show that this energy dissipation can be 3 orders of magnitude more energy-efficient than current CMOS technology for a reasonable clock speed of 1 GHz. This work is supported by the NSF under grant ECCS-1124714.
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. PMID:26593339
Finite reductions for dissipative systems and viscous fluid-dynamic models on
NASA Astrophysics Data System (ADS)
Cardin, Franco; Tebaldi, Claudio
2008-09-01
We reconsider the reduction method introduced for Hamiltonian systems by Amann, Conley and Zehnder. We propose an extension of these techniques to evolutive PDE systems of dissipative type and prove that, under suitable regularity conditions, a finite number of spectral modes controls exactly the time evolution of the complete problem. The problem of finite reduction for a two-dimensional modified Navier-Stokes equations is considered and an estimate of the dimension of the reduced space is given, valid for any time t>0. Comparison is made with the asymptotic finite dimension that has been obtained for the true Navier-Stokes equations.
Analog Electronic Implementation of a Class of Hybrid Dissipative Dynamical System
NASA Astrophysics Data System (ADS)
Ontañón-García, L. J.; Campos-Cantón, E.; Femat, R.
An analog electronic implementation by means of operational amplifiers of a class of hybrid dissipative systems in R3 is presented. The switching systems have two unstable hyperbolic focus-saddle equilibria with the same stability index, a positive real eigenvalue and a pair of complex conjugated eigenvalues with negative real part. The analog circuit generates signals that oscillate in an attractor located between the two unstable equilibria, and may present saturation states at the moment of energizing it, i.e. if the initial voltage on the capacitors do not belong to the basin of attraction the circuit will end on a saturation state.
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 mechanics emerging from stochastic dynamics of virtual particles
NASA Astrophysics Data System (ADS)
Tsekov, Roumen
2016-03-01
It is shown how quantum mechanics emerges from the stochastic dynamics of force carriers. It is demonstrated that the Moyal equation corresponds to dynamic correlations between the real particle momentum and the virtual particle position, which are not present in classical mechanics. This new concept throws light on the physical meaning of quantum theory, showing that the Planck constant square is a second-second position-momentum cross-cumulant.
Saber, Ayman N; Malhat, Farag M; Badawy, Hany M A; Barakat, Dalia A
2016-04-01
Two independent field trials were performed to investigate the dissipation and residue levels of hexythiazox in strawberry. The study presents a method validation for extraction and quantitative analysis of hexythiazox residues in strawberry using HPLC-DAD. The results shown that the mean recoveries ranged from 85% to 93%, furthermore the intra- and inter-day relative standard deviations were less than 10%. The results suggest that the hexythiazox dissipation curves followed the first-order kinetic and its half-life ranged from 3.43 to 3.81 days. The final residues in strawberry were below the Codex maximum residue limit (MRL) (6 mg/kg) after three days of the application. The effects of household processing and storage on the levels of hexythiazox residues were quantified, and it's useful for reducing the dietary exposure. The processing factor after each stage were generally less than 1, indicating that the whole process can reduce the residues of hexythiazox in strawberry. The results could provide guidance to safe and reasonable use of hexythiazox in agriculture. PMID:26593595
Method validation and dissipation dynamics of chlorfenapyr in squash and okra.
Abdel Ghani, Sherif B; Abdallah, Osama I
2016-03-01
QuEChERS method combined with GC-IT-MS was developed and validated for the determination of chlorfenapyr residues in squash and okra matrices. Method accuracy, repeatability, linearity and specificity were investigated. Matrix effect was discussed. Determination coefficients (R(2)) were 0.9992 and 0.9987 in both matrices. LODs were 2.4 and 2.2μg/kg, while LOQs were 8.2 and 7.3μg/kg. Method accuracy ranged from 92.76% to 106.49%. Method precision RSDs were ⩽12.59%. A field trial to assess chlorfenapyr dissipation behavior was carried out. The developed method was employed in analyzing field samples. Dissipation behavior followed first order kinetics in both crops. Half-life values (t1/2) ranged from 0.2 to 6.58days with determination coefficient (R(2)) ranged from 0.78 to 0.96. The developed method was utilized for surveying chlorfenapyr residues in squash and okra samples collected from the market. Monitoring results are discussed. PMID:26471587
On the role of mass diffusion and fluid dynamics in the dissipation of chunk mix
Cloutman, L D
1999-03-01
When numerically simulating multicomponent turbulent flows, subgrid-scale diffusion of chemical species requires closure. This mixing of chemical species at the molecular level dissipates concentration uctuations, which limits possible demixing and affects other pro- cesses such as energy transport and reaction rates at the subgrid level. We discuss some of the physical processes that reduce small chunks of a heavy material in a light gas or plasma to a mixture at the atomic level. Preliminary direct numerical simulations of these processes are presented using the dissipation of small spheres of heavy gas in a light gas as an archetypal process in turbulent micromixing in multicomponent ows, including classical uid instabilities and shock ejecta. We use a detailed approach for the diffusion process, directly solving the Stefan-Maxwell equations for the mass fluxes. We discuss the dissipa- tion of a 24µm sphere of xenon in helium in three different flow regimes, and we present suggestions for future work intended as input to improved subgrid-scale turbulence models.
Programmable quantum simulation by dynamic Hamiltonian engineering
NASA Astrophysics Data System (ADS)
Hayes, David; Flammia, Steven T.; Biercuk, Michael J.
2014-08-01
Quantum simulation is a promising near term application for quantum information processors with the potential to solve computationally intractable problems using just a few dozen interacting qubits. A range of experimental platforms have recently demonstrated the basic functionality of quantum simulation applied to quantum magnetism, quantum phase transitions and relativistic quantum mechanics. However, in all cases, the physics of the underlying hardware restricts the achievable inter-particle interactions and forms a serious constraint on the versatility of the simulators. To broaden the scope of these analog devices, we develop a suite of pulse sequences that permit a user to efficiently realize average Hamiltonians that are beyond the native interactions of the system. Specifically, this approach permits the generation of all symmetrically coupled translation-invariant two-body Hamiltonians with homogeneous on-site terms, a class which includes all spin-1/2 XYZ chains, but generalized to include long-range couplings. Our work builds on previous work proving that universal simulation is possible using both entangling gates and single-qubit unitaries. We show that determining the appropriate ‘program’ of unitary pulse sequences which implements an arbitrary Hamiltonian transformation can be formulated as a linear program over functions defined by those pulse sequences, running in polynomial time and scaling efficiently in hardware resources. Our analysis extends from circuit model quantum information to adiabatic quantum evolutions, representing an important and broad-based success in applying functional analysis to the field of quantum information.
Hele, Timothy J. H.; Willatt, Michael J.; Muolo, Andrea; Althorpe, Stuart C.
2015-05-21
We recently obtained a quantum-Boltzmann-conserving classical dynamics by making a single change to the derivation of the “Classical Wigner” approximation. Here, we show that the further approximation of this “Matsubara dynamics” gives rise to two popular heuristic methods for treating quantum Boltzmann time-correlation functions: centroid molecular dynamics (CMD) and ring-polymer molecular dynamics (RPMD). We show that CMD is a mean-field approximation to Matsubara dynamics, obtained by discarding (classical) fluctuations around the centroid, and that RPMD is the result of discarding a term in the Matsubara Liouvillian which shifts the frequencies of these fluctuations. These findings are consistent with previous numerical results and give explicit formulae for the terms that CMD and RPMD leave out.
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
Dirac particle in a box, and relativistic quantum Zeno dynamics
NASA Astrophysics Data System (ADS)
Menon, Govind; Belyi, Sergey
2004-09-01
After developing a complete set of eigenfunctions for a Dirac particle restricted to a box, the quantum Zeno dynamics of a relativistic system is considered. The evolution of a continuously observed quantum mechanical system is governed by the theorem put forth by Misra and Sudarshan. One of the conditions for quantum Zeno dynamics to be manifest is that the Hamiltonian is semi-bounded. This Letter analyzes the effects of continuous observation of a particle whose time evolution is generated by the Dirac Hamiltonian. The theorem by Misra and Sudarshan is not applicable here since the Dirac operator is not semi-bounded.
Time-Reversal Test for Stochastic Quantum Dynamics
NASA Astrophysics Data System (ADS)
Dowling, Mark R.; Drummond, Peter D.; Davis, Matthew J.; Deuar, Piotr
2005-04-01
The calculation of quantum dynamics is currently a central issue in theoretical physics, with diverse applications ranging from ultracold atomic Bose-Einstein condensates to condensed matter, biology, and even astrophysics. Here we demonstrate a conceptually simple method of determining the regime of validity of stochastic simulations of unitary quantum dynamics by employing a time-reversal test. We apply this test to a simulation of the evolution of a quantum anharmonic oscillator with up to 6.022×1023 (Avogadro’s number) of particles. This system is realizable as a Bose-Einstein condensate in an optical lattice, for which the time-reversal procedure could be implemented experimentally.
Dynamics of a Landau-Zener non-dissipative system with fluctuating energy levels
NASA Astrophysics Data System (ADS)
Fai, L. C.; Diffo, J. T.; Ateuafack, M. E.; Tchoffo, M.; Fouokeng, G. C.
2014-12-01
This paper considers a Landau-Zener (two-level) system influenced by a three-dimensional Gaussian and non-Gaussian coloured noise and finds a general form of the time dependent diabatic quantum bit (qubit) flip transition probabilities in the fast, intermediate and slow noise limits. The qubit flip probability is observed to mimic (for low-frequencies noise) that of the standard LZ problem. The qubit flip probability is also observed to be the measure of quantum coherence of states. The transition probability is observed to be tailored by non-Gaussian low-frequency noise and otherwise by Gaussian low-frequency coloured noise. Intermediate and fast noise limits are observed to alter the memory of the system in time and found to improve and control quantum information processing.
Dynamic Multiscale Quantum Mechanics/Electromagnetics Simulation Method.
Meng, Lingyi; Yam, ChiYung; Koo, SiuKong; Chen, Quan; Wong, Ngai; Chen, GuanHua
2012-04-10
A newly developed hybrid quantum mechanics and electromagnetics (QM/EM) method [Yam et al. Phys. Chem. Chem. Phys.2011, 13, 14365] is generalized to simulate the real time dynamics. Instead of the electric and magnetic fields, the scalar and vector potentials are used to integrate Maxwell's equations in the time domain. The TDDFT-NEGF-EOM method [Zheng et al. Phys. Rev. B2007, 75, 195127] is employed to simulate the electronic dynamics in the quantum mechanical region. By allowing the penetration of a classical electromagnetic wave into the quantum mechanical region, the electromagnetic wave for the entire simulating region can be determined consistently by solving Maxwell's equations. The transient potential distributions and current density at the interface between quantum mechanical and classical regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. Charge distribution, current density, and potentials at different temporal steps and spatial scales are integrated seamlessly within a unified computational framework. PMID:26596737
Dynamics of quantum correlation of four qubits system
NASA Astrophysics Data System (ADS)
Gebremariam, Tesfay; Li, Wenlin; Li, Chong
2016-09-01
In the present report, we investigate the dynamics of quantum correlation of four qubits system, and we characterize this kind of dynamics by quantum consonance and concurrence as measurement of quantum correlation and entanglement, respectively. By this measurement, one can easily study if non-entangled quantum correlation can transfer to entanglement. In our model, we find that this case cannot be realized. In addition, we constructed a four qubits swapping gate, which is made up of two bipartite swapping gates. Under this composite gate the quantum correlation is exchanged between two entangled pairs. The influence of the physical parameters like the purity and the amount of entanglement of the initial states is also examined.
Cavity-assisted dynamical quantum phase transition at bifurcation points
NASA Astrophysics Data System (ADS)
Tian, Lin
2016-04-01
Coupling a quantum many-body system to a cavity can create bifurcation points in its phase diagram, where the ground state makes sudden switchings between different phases. Here we study the dynamical quantum phase transition of a transverse field Ising model coupled to a cavity. We show that an infinitesimal quench of the cavity driving at the bifurcation points induces gradual evolution of the Ising model to pass across the quantum critical point and excites quasiparticles. Meanwhile, when the driving is slowly ramped through the bifurcation points, the adiabaticity of the evolution and the number of quasiparticle excitations are strongly affected by cavity-induced nonlinearity. Introducing and manipulating cavity-induced nonlinearity hence provide an effective approach to control the dynamics and the adiabaticity of adiabatic quantum processes. This model can be implemented with superconducting quantum circuits.
Quantum centipedes: collective dynamics of interacting quantum walkers
NASA Astrophysics Data System (ADS)
Krapivsky, P. L.; Luck, J. M.; Mallick, K.
2016-08-01
We consider the quantum centipede made of N fermionic quantum walkers on the one-dimensional lattice interacting by means of the simplest of all hard-bound constraints: the distance between two consecutive fermions is either one or two lattice spacings. This composite quantum walker spreads ballistically, just as the simple quantum walk. However, because of the interactions between the internal degrees of freedom, the distribution of its center-of-mass velocity displays numerous ballistic fronts in the long-time limit, corresponding to singularities in the empirical velocity distribution. The spectrum of the centipede and the corresponding group velocities are analyzed by direct means for the first few values of N. Some analytical results are obtained for arbitrary N by exploiting an exact mapping of the problem onto a free-fermion system. We thus derive the maximal velocity describing the ballistic spreading of the two extremal fronts of the centipede wavefunction, including its non-trivial value in the large-N limit.
Pattern dynamics and spatiotemporal chaos in the quantum Zakharov equations.
Misra, A P; Shukla, P K
2009-05-01
The dynamical behavior of the nonlinear interaction of quantum Langmuir waves (QLWs) and quantum ion-acoustic waves (QIAWs) is studied in the one-dimensional quantum Zakharov equations. Numerical simulations of coupled QLWs and QIAWs reveal that many coherent solitary patterns can be excited and saturated via the modulational instability of unstable harmonic modes excited by a modulation wave number of monoenergetic QLWs. The evolution of such solitary patterns may undergo the states of spatially partial coherence (SPC), coexistence of temporal chaos and spatiotemporal chaos (STC), as well as STC. The SPC state is essentially due to ion-acoustic wave emission and due to quantum diffraction, while the STC is caused by the combined effects of SPC and quantum diffraction, as well as by collisions and fusions among patterns in stochastic motion. The energy in the system is strongly redistributed, which may switch on the onset of weak turbulence in dense quantum plasmas. PMID:19518570
Pattern dynamics and spatiotemporal chaos in the quantum Zakharov equations
Misra, A. P.; Shukla, P. K.
2009-05-15
The dynamical behavior of the nonlinear interaction of quantum Langmuir waves (QLWs) and quantum ion-acoustic waves (QIAWs) is studied in the one-dimensional quantum Zakharov equations. Numerical simulations of coupled QLWs and QIAWs reveal that many coherent solitary patterns can be excited and saturated via the modulational instability of unstable harmonic modes excited by a modulation wave number of monoenergetic QLWs. The evolution of such solitary patterns may undergo the states of spatially partial coherence (SPC), coexistence of temporal chaos and spatiotemporal chaos (STC), as well as STC. The SPC state is essentially due to ion-acoustic wave emission and due to quantum diffraction, while the STC is caused by the combined effects of SPC and quantum diffraction, as well as by collisions and fusions among patterns in stochastic motion. The energy in the system is strongly redistributed, which may switch on the onset of weak turbulence in dense quantum plasmas.
Frictionless quantum quenches in ultracold gases: A quantum-dynamical microscope
Campo, A. de
2011-09-15
In this Rapid Communication, a method is proposed to spatially scale up a trapped ultracold gas while conserving the quantum correlations of the initial many-body state. For systems supporting self-similar dynamics, this is achieved by implementing an engineered finite-time quench of the harmonic trap, which induces a frictionless expansion of the gas and acts as a quantum dynamical microscope.
Quantum dynamics simulation with classical oscillators
NASA Astrophysics Data System (ADS)
Briggs, John S.; Eisfeld, Alexander
2013-12-01
In a previous paper [J. S. Briggs and A. Eisfeld, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.85.052111 85, 052111 (2012)] we showed that the time development of the complex amplitudes of N coupled quantum states can be mapped by the time development of positions and velocities of N coupled classical oscillators. Here we examine to what extent this mapping can be realized to simulate the “quantum,” properties of entanglement and qubit manipulation. By working through specific examples, e.g., of quantum gate operation, we seek to illuminate quantum and classical differences which hitherto have been treated more mathematically. In addition, we show that important quantum coupled phenomena, such as the Landau-Zener transition and the occurrence of Fano resonances can be simulated by classical oscillators.
The classical and quantum dynamics of molecular spins on graphene.
Cervetti, Christian; Rettori, Angelo; Pini, Maria Gloria; Cornia, Andrea; Repollés, Ana; Luis, Fernando; Dressel, Martin; Rauschenbach, Stephan; Kern, Klaus; Burghard, Marko; Bogani, Lapo
2016-02-01
Controlling the dynamics of spins on surfaces is pivotal to the design of spintronic and quantum computing devices. Proposed schemes involve the interaction of spins with graphene to enable surface-state spintronics and electrical spin manipulation. However, the influence of the graphene environment on the spin systems has yet to be unravelled. Here we explore the spin-graphene interaction by studying the classical and quantum dynamics of molecular magnets on graphene. Whereas the static spin response remains unaltered, the quantum spin dynamics and associated selection rules are profoundly modulated. The couplings to graphene phonons, to other spins, and to Dirac fermions are quantified using a newly developed model. Coupling to Dirac electrons introduces a dominant quantum relaxation channel that, by driving the spins over Villain's threshold, gives rise to fully coherent, resonant spin tunnelling. Our findings provide fundamental insight into the interaction between spins and graphene, establishing the basis for electrical spin manipulation in graphene nanodevices. PMID:26641019
The classical and quantum dynamics of molecular spins on graphene
NASA Astrophysics Data System (ADS)
Cervetti, Christian; Rettori, Angelo; Pini, Maria Gloria; Cornia, Andrea; Repollés, Ana; Luis, Fernando; Dressel, Martin; Rauschenbach, Stephan; Kern, Klaus; Burghard, Marko; Bogani, Lapo
2016-02-01
Controlling the dynamics of spins on surfaces is pivotal to the design of spintronic and quantum computing devices. Proposed schemes involve the interaction of spins with graphene to enable surface-state spintronics and electrical spin manipulation. However, the influence of the graphene environment on the spin systems has yet to be unravelled. Here we explore the spin-graphene interaction by studying the classical and quantum dynamics of molecular magnets on graphene. Whereas the static spin response remains unaltered, the quantum spin dynamics and associated selection rules are profoundly modulated. The couplings to graphene phonons, to other spins, and to Dirac fermions are quantified using a newly developed model. Coupling to Dirac electrons introduces a dominant quantum relaxation channel that, by driving the spins over Villain’s threshold, gives rise to fully coherent, resonant spin tunnelling. Our findings provide fundamental insight into the interaction between spins and graphene, establishing the basis for electrical spin manipulation in graphene nanodevices.
NASA Astrophysics Data System (ADS)
Klinkusch, Stefan; Tremblay, Jean Christophe
2016-05-01
In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.
Klinkusch, Stefan; Tremblay, Jean Christophe
2016-05-14
In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN. PMID:27179472
Dissipation engineering in a coherent feedback electromechanical network
NASA Astrophysics Data System (ADS)
Kerckhoff, Joseph
2014-03-01
Modern superconducting microwave circuit experiments often consist of a quantum circuit under study, followed by a quantum-limited microwave amplifier. The subfield of quantum electromechanics, in which the quantum circuit is a mechanical resonator coupled to a microwave resonator, is no exception. However, a simple modification of the cables between these devices turns this open-loop, serial network into a fully-cryogenic, coherent feedback network. In effect, this easy-to-build network becomes a brand new kind of device, with useful and novel dynamics. Applied to an electromechanical context, the microwave and electromechanical dissipation is greatly modified through these closed loop dynamics, leading to dynamically tunable and phase-sensitive decay. We experimentally demonstrate that the microwave decay rate may be modulated by at least a factor of 10 at a rate greater than 104 times the mechanical response rate. Similarly, the mechanical state can be dynamically squeezed and unsqueezed. While we have only investigated dynamics in the classical regime, we expect analogous behavior in the quantum regime. Finally, this approach is suitable for both 3D and planar architectures. I will describe my observations of this network and the general utility of networks of modular quantum circuits to dissipation engineering. With support from the NRC, and partial support from DARPA QuEST, DARPA ORCHID, and the NSF PFC at JILA.
Godsi, Oded; Peskin, Uri; Collins, Michael A.
2010-03-28
A quantum sampling algorithm for the interpolation of diabatic potential energy matrices by the Grow method is introduced. The new procedure benefits from penetration of the wave packet into classically forbidden regions, and the accurate quantum mechanical description of nonadiabatic transitions. The increased complexity associated with running quantum dynamics is reduced by using approximate low order expansions of the nuclear wave function within a Multi-configuration time-dependent Hartree scheme during the Grow process. The sampling algorithm is formulated and applied for three representative test cases, demonstrating the recovery of analytic potentials by the interpolated ones, and the convergence of a dynamic observable.
Lectures on Dynamical Models for Quantum Measurements
NASA Astrophysics Data System (ADS)
Nieuwenhuizen, Theo M.; Perarnau-Llobet, Martí Balian, Roger
2015-10-01
In textbooks, ideal quantum measurements are described in terms of the tested system only by the collapse postulate and Born's rule. This level of description offers a rather flexible position for the interpretation of quantum mechanics. Here we analyse an ideal measurement as a process of interaction between the tested system S and an apparatus A, so as to derive the properties postulated in textbooks. We thus consider within standard quantum mechanics the measurement of a quantum spin component ŝz by an apparatus A, being a magnet coupled to a bath. We first consider the evolution of the density operator of S+A describing a large set of runs of the measurement process. The approach describes the disappearance of the off-diagonal terms ("truncation") of the density matrix as a physical effect due to A, while the registration of the outcome has classical features due to the large size of the pointer variable, the magnetisation. A quantum ambiguity implies that the density matrix at the final time can be decomposed on many bases, not only the one of the measurement. This quantum oddity prevents to connect individual outcomes to measurements, a difficulty known as the "measurement problem". It is shown that it is circumvented by the apparatus as well, since the evolution in a small time interval erases all decompositions, except the one on the measurement basis. Once one can derive the outcome of individual events from quantum theory, the so-called "collapse of the wave function" or the "reduction of the state" appears as the result of a selection of runs among the original large set. Hence nothing more than standard quantum mechanics is needed to explain features of measurements. The employed statistical formulation is advocated for the teaching of quantum theory.
Quantum-like model of unconscious–conscious dynamics
Khrennikov, Andrei
2015-01-01
We present a quantum-like model of sensation–perception dynamics (originated in Helmholtz theory of unconscious inference) based on the theory of quantum apparatuses and instruments. We illustrate our approach with the model of bistable perception of a particular ambiguous figure, the Schröder stair. This is a concrete model for unconscious and conscious processing of information and their interaction. The starting point of our quantum-like journey was the observation that perception dynamics is essentially contextual which implies impossibility of (straightforward) embedding of experimental statistical data in the classical (Kolmogorov, 1933) framework of probability theory. This motivates application of nonclassical probabilistic schemes. And the quantum formalism provides a variety of the well-approved and mathematically elegant probabilistic schemes to handle results of measurements. The theory of quantum apparatuses and instruments is the most general quantum scheme describing measurements and it is natural to explore it to model the sensation–perception dynamics. In particular, this theory provides the scheme of indirect quantum measurements which we apply to model unconscious inference leading to transition from sensations to perceptions. PMID:26283979
Optimal dynamics for quantum-state and entanglement transfer through homogeneous quantum systems
Banchi, L.; Apollaro, T. J. G.; Cuccoli, A.; Vaia, R.; Verrucchi, P.
2010-11-15
The capability of faithfully transmit quantum states and entanglement through quantum channels is one of the key requirements for the development of quantum devices. Different solutions have been proposed to accomplish such a challenging task, which, however, require either an ad hoc engineering of the internal interactions of the physical system acting as the channel or specific initialization procedures. Here we show that optimal dynamics for efficient quantum-state and entanglement transfer can be attained in generic quantum systems with homogeneous interactions by tuning the coupling between the system and the two attached qubits. We devise a general procedure to determine the optimal coupling, and we explicitly implement it in the case of a channel consisting of a spin-(1/2)XY chain. The quality of quantum-state and entanglement transfer is found to be very good and, remarkably, almost independent of the channel length.