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Sample records for energy quantum partition

  1. Off-diagonal series expansion for quantum partition functions

    Science.gov (United States)

    Hen, Itay

    2018-05-01

    We derive an integral-free thermodynamic perturbation series expansion for quantum partition functions which enables an analytical term-by-term calculation of the series. The expansion is carried out around the partition function of the classical component of the Hamiltonian with the expansion parameter being the strength of the off-diagonal, or quantum, portion. To demonstrate the usefulness of the technique we analytically compute to third order the partition functions of the 1D Ising model with longitudinal and transverse fields, and the quantum 1D Heisenberg model.

  2. Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

    Science.gov (United States)

    Zhou, Chi-Chun; Dai, Wu-Sheng

    2018-02-01

    In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

  3. Quantum Dilogarithms and Partition q-Series

    Science.gov (United States)

    Kato, Akishi; Terashima, Yuji

    2015-08-01

    In our previous work (Kato and Terashima, Commun Math Phys. arXiv:1403.6569, 2014), we introduced the partition q-series for mutation loop γ—a loop in exchange quiver. In this paper, we show that for a certain class of mutation sequences, called reddening sequences, the graded version of partition q-series essentially coincides with the ordered product of quantum dilogarithm associated with each mutation; the partition q-series provides a state-sum description of combinatorial Donaldson-Thomas invariants introduced by Keller.

  4. A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

    Science.gov (United States)

    Wong, Kin-Yiu; Gao, Jiali

    2008-09-09

    In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property

  5. Theory and simulation of cavity quantum electro-dynamics in multi-partite quantum complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Alidoosty Shahraki, Moslem; Khorasani, Sina; Aram, Mohammad Hasan [Sharif University of Technology, School of Electrical Engineering, Tehran (Iran, Islamic Republic of)

    2014-05-15

    The cavity quantum electrodynamics of various complex systems is here analyzed using a general versatile code developed in this research. Such quantum multi-partite systems normally consist of an arbitrary number of quantum dots in interaction with an arbitrary number of cavity modes. As an example, a nine-partition system is simulated under different coupling regimes, consisting of eight emitters interacting with one cavity mode. Two-level emitters (e.g. quantum dots) are assumed to have an arrangement in the form of a linear chain, defining the mutual dipole-dipole interactions. It was observed that plotting the system trajectory in the phase space reveals a chaotic behavior in the so-called ultrastrong-coupling regime. This result is mathematically confirmed by detailed calculation of the Kolmogorov entropy, as a measure of chaotic behavior. In order to study the computational complexity of our code, various multi-partite systems consisting of one to eight quantum dots in interaction with one cavity mode were solved individually. Computation run times and the allocated memory for each system were measured. (orig.)

  6. Partition-based discrete-time quantum walks

    Science.gov (United States)

    Konno, Norio; Portugal, Renato; Sato, Iwao; Segawa, Etsuo

    2018-04-01

    We introduce a family of discrete-time quantum walks, called two-partition model, based on two equivalence-class partitions of the computational basis, which establish the notion of local dynamics. This family encompasses most versions of unitary discrete-time quantum walks driven by two local operators studied in literature, such as the coined model, Szegedy's model, and the 2-tessellable staggered model. We also analyze the connection of those models with the two-step coined model, which is driven by the square of the evolution operator of the standard discrete-time coined walk. We prove formally that the two-step coined model, an extension of Szegedy model for multigraphs, and the two-tessellable staggered model are unitarily equivalent. Then, selecting one specific model among those families is a matter of taste not generality.

  7. Controllability of multi-partite quantum systems and selective excitation of quantum dots

    International Nuclear Information System (INIS)

    Schirmer, S G; Pullen, I C H; Solomon, A I

    2005-01-01

    We consider the degrees of controllability of multi-partite quantum systems, as well as necessary and sufficient criteria for each case. The results are applied to the problem of simultaneous control of an ensemble of quantum dots with a single laser pulse. Finally, we apply optimal control techniques to demonstrate selective excitation of individual dots for a simultaneously controllable ensemble of quantum dots

  8. Quantum corrections to Bekenstein–Hawking black hole entropy and gravity partition functions

    International Nuclear Information System (INIS)

    Bytsenko, A.A.; Tureanu, A.

    2013-01-01

    Algebraic aspects of the computation of partition functions for quantum gravity and black holes in AdS 3 are discussed. We compute the sub-leading quantum corrections to the Bekenstein–Hawking entropy. It is shown that the quantum corrections to the classical result can be included systematically by making use of the comparison with conformal field theory partition functions, via the AdS 3 /CFT 2 correspondence. This leads to a better understanding of the role of modular and spectral functions, from the point of view of the representation theory of infinite-dimensional Lie algebras. Besides, the sum of known quantum contributions to the partition function can be presented in a closed form, involving the Patterson–Selberg spectral function. These contributions can be reproduced in a holomorphically factorized theory whose partition functions are associated with the formal characters of the Virasoro modules. We propose a spectral function formulation for quantum corrections to the elliptic genus from supergravity states

  9. Commuting quantum circuits and complexity of Ising partition functions

    International Nuclear Information System (INIS)

    Fujii, Keisuke; Morimae, Tomoyuki

    2017-01-01

    Instantaneous quantum polynomial-time (IQP) computation is a class of quantum computation consisting only of commuting two-qubit gates and is not universal. Nevertheless, it has been shown that if there is a classical algorithm that can simulate IQP efficiently, the polynomial hierarchy collapses to the third level, which is highly implausible. However, the origin of the classical intractability is still less understood. Here we establish a relationship between IQP and computational complexity of calculating the imaginary-valued partition functions of Ising models. We apply the established relationship in two opposite directions. One direction is to find subclasses of IQP that are classically efficiently simulatable by using exact solvability of certain types of Ising models. Another direction is applying quantum computational complexity of IQP to investigate (im)possibility of efficient classical approximations of Ising partition functions with imaginary coupling constants. Specifically, we show that a multiplicative approximation of Ising partition functions is #P-hard for almost all imaginary coupling constants even on planar lattices of a bounded degree. (paper)

  10. Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

    Science.gov (United States)

    Wang, Bo; Yang, Ke R; Xu, Xuefei; Isegawa, Miho; Leverentz, Hannah R; Truhlar, Donald G

    2014-09-16

    atoms for capping dangling bonds, and we have shown that they can greatly improve the accuracy. Finally we present a new approach that goes beyond QM/MM by combining the convenience of molecular mechanics with the accuracy of fitting a potential function to electronic structure calculations on a specific system. To make the latter practical for systems with a large number of degrees of freedom, we developed a method to interpolate between local internal-coordinate fits to the potential energy. A key issue for the application to large systems is that rather than assigning the atoms or monomers to fragments, we assign the internal coordinates to reaction, secondary, and tertiary sets. Thus, we make a partition in coordinate space rather than atom space. Fits to the local dependence of the potential energy on tertiary coordinates are arrayed along a preselected reaction coordinate at a sequence of geometries called anchor points; the potential energy function is called an anchor points reactive potential. Electrostatically embedded fragment methods and the anchor points reactive potential, because they are based on treating an entire system by quantum mechanical electronic structure methods but are affordable for large and complex systems, have the potential to open new areas for accurate simulations where combined QM/MM methods are inadequate.

  11. Geometric measure of quantum discord and total quantum correlations in an N-partite quantum state

    International Nuclear Information System (INIS)

    Hassan, Ali Saif M; Joag, Pramod S

    2012-01-01

    Quantum discord, as introduced by Ollivier and Zurek (2001 Phys. Rev. Lett. 88 017901), is a measure of the discrepancy between quantum versions of two classically equivalent expressions for mutual information and is found to be useful in quantification and application of quantum correlations in mixed states. It is viewed as a key resource present in certain quantum communication tasks and quantum computational models without containing much entanglement. An early step toward the quantification of quantum discord in a quantum state was by Dakic et al (2010 Phys. Rev. Lett. 105 190502) who introduced a geometric measure of quantum discord and derived an explicit formula for any two-qubit state. Recently, Luo and Fu (2010 Phys. Rev. A 82 034302) introduced a generic form of the geometric measure of quantum discord for a bipartite quantum state. We extend these results and find generic forms of the geometric measure of quantum discord and total quantum correlations in a general N-partite quantum state. Further, we obtain computable exact formulas for the geometric measure of quantum discord and total quantum correlations in an N-qubit quantum state. The exact formulas for the N-qubit quantum state can be used to get experimental estimates of the quantum discord and the total quantum correlation. (paper)

  12. Controlling transfer of quantum correlations among bi-partitions of a composite quantum system by combining different noisy environments

    International Nuclear Information System (INIS)

    Zhang Xiu-Xing; Li Fu-Li

    2011-01-01

    The correlation dynamics are investigated for various bi-partitions of a composite quantum system consisting of two qubits and two independent and non-identical noisy environments. The two qubits have no direct interaction with each other and locally interact with their environments. Classical and quantum correlations including the entanglement are initially prepared only between the two qubits. We find that contrary to the identical noisy environment case, the quantum correlation transfer direction can be controlled by combining different noisy environments. The amplitude-damping environment determines whether there exists the entanglement transfer among bi-partitions of the system. When one qubit is coupled to an amplitude-damping environment and the other one to a bit-flip one, we find a very interesting result that all the quantum and the classical correlations, and even the entanglement, originally existing between the qubits, can be completely transferred without any loss to the qubit coupled to the bit-flit environment and the amplitude-damping environment. We also notice that it is possible to distinguish the quantum correlation from the classical correlation and the entanglement by combining different noisy environments. (general)

  13. Mixed quantum-classical studies of energy partitioning in unimolecular chemical reactions

    Science.gov (United States)

    Bladow, Landon Lowell

    A mixed quantum-classical reaction path Hamiltonian method is utilized to study the dynamics of unimolecular reactions. The method treats motion along the reaction path classically and treats the transverse vibrations quantum mechanically. The theory leads to equations that predict the disposai of the exit-channel potential energy to product translation and vibration. In addition, vibrational state distributions are obtained for the product normal modes. Vibrational excitation results from the curvature of the minimum energy reaction path. The method is applied to six unimolecular reactions: HF elimination from fluoroethane, 1,1-difluoroethane, 1,1-difluoroethene, and trifluoromethane; and HCl elimination from chloroethane and acetyl chloride. The minimum energy paths were calculated at either the MP2 or B3LYP level of theory. In all cases, the majority of the vibrational excitation of the products occurs in the HX fragment. The results are compared to experimental data and other theoretical results, where available. The best agreement between the experimental and calculated HX vibrational distributions is found for the halogenated ethanes, and the experimental deduction that the majority of the HX vibrational excitation arises from the potential energy release is supported. It is believed that the excess energy provided in experiments contributes to the poorer agreement between experiment and theory observed for HF elimination from 1,1-difluoroethene and trifluoromethane. An attempt is described to incorporate a treatment of the excess energy into the present method. However, the sign of the curvature coupling elements is then found to affect the dynamics. Overall, the method appears to be an efficient dynamical tool for modeling the disposal of the exit-channel potential energy in unimolecular reactions.

  14. Quantum Statistical Mechanics, L-Series and Anabelian Geometry I: Partition Functions

    NARCIS (Netherlands)

    Marcolli, Matilde; Cornelissen, Gunther

    2014-01-01

    The zeta function of a number field can be interpreted as the partition function of an associated quantum statistical mechanical (QSM) system, built from abelian class field theory. We introduce a general notion of isomorphism of QSM-systems and prove that it preserves (extremal) KMS equilibrium

  15. Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

    Science.gov (United States)

    Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

    2016-07-15

    The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  16. Quantum Integers

    International Nuclear Information System (INIS)

    Khrennikov, Andrei; Klein, Moshe; Mor, Tal

    2010-01-01

    In number theory, a partition of a positive integer n is a way of writing n as a sum of positive integers. The number of partitions of n is given by the partition function p(n). Inspired by quantum information processing, we extend the concept of partitions in number theory as follows: for an integer n, we treat each partition as a basis state of a quantum system representing that number n, so that the Hilbert-space that corresponds to that integer n is of dimension p(n); the 'classical integer' n can thus be generalized into a (pure) quantum state ||ψ(n) > which is a superposition of the partitions of n, in the same way that a quantum bit (qubit) is a generalization of a classical bit. More generally, ρ(n) is a density matrix in that same Hilbert-space (a probability distribution over pure states). Inspired by the notion of quantum numbers in quantum theory (such as in Bohr's model of the atom), we then try to go beyond the partitions, by defining (via recursion) the notion of 'sub-partitions' in number theory. Combining the two notions mentioned above, sub-partitions and quantum integers, we finally provide an alternative definition of the quantum integers [the pure-state |ψ'(n)> and the mixed-state ρ'(n),] this time using the sub-partitions as the basis states instead of the partitions, for describing the quantum number that corresponds to the integer n.

  17. Energy partition in nuclear fission

    International Nuclear Information System (INIS)

    Ruben, A.; Maerten, H.; Seeliger, D.

    1990-01-01

    A scission point model (two spheroid model TSM) including semi-empirical temperature-dependent shell correction energies for deformed fragments at scission is presented. It has been used to describe the mass-asymmetry-dependent partition of the total energy release on both fragments from spontaneous and induced fission. Characteristic trends of experimental fragment energy and neutron multiplicity data as function of incidence energy in the Th-Cf region of fissioning nuclei are well reproduced. Based on model applications, information on the energy dissipated during the descent from second saddle of fission barrier to scission point have been deduced. (author). 39 refs, 13 figs

  18. Quantum Mechanical Single Molecule Partition Function from PathIntegral Monte Carlo Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Chempath, Shaji; Bell, Alexis T.; Predescu, Cristian

    2006-10-01

    An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented.

  19. Asymptotics of quantum weighted Hurwitz numbers

    Science.gov (United States)

    Harnad, J.; Ortmann, Janosch

    2018-06-01

    This work concerns both the semiclassical and zero temperature asymptotics of quantum weighted double Hurwitz numbers. The partition function for quantum weighted double Hurwitz numbers can be interpreted in terms of the energy distribution of a quantum Bose gas with vanishing fugacity. We compute the leading semiclassical term of the partition function for three versions of the quantum weighted Hurwitz numbers, as well as lower order semiclassical corrections. The classical limit is shown to reproduce the simple single and double Hurwitz numbers studied by Okounkov and Pandharipande (2000 Math. Res. Lett. 7 447–53, 2000 Lett. Math. Phys. 53 59–74). The KP-Toda τ-function that serves as generating function for the quantum Hurwitz numbers is shown to have the τ-function of Okounkov and Pandharipande (2000 Math. Res. Lett. 7 447–53, 2000 Lett. Math. Phys. 53 59–74) as its leading term in the classical limit, and, with suitable scaling, the same holds for the partition function, the weights and expectations of Hurwitz numbers. We also compute the zero temperature limit of the partition function and quantum weighted Hurwitz numbers. The KP or Toda τ-function serving as generating function for the quantum Hurwitz numbers are shown to give the one for Belyi curves in the zero temperature limit and, with suitable scaling, the same holds true for the partition function, the weights and the expectations of Hurwitz numbers.

  20. Many-body formalism for fermions: The partition function

    Science.gov (United States)

    Watson, D. K.

    2017-09-01

    The partition function, a fundamental tenet in statistical thermodynamics, contains in principle all thermodynamic information about a system. It encapsulates both microscopic information through the quantum energy levels and statistical information from the partitioning of the particles among the available energy levels. For identical particles, this statistical accounting is complicated by the symmetry requirements of the allowed quantum states. In particular, for Fermi systems, the enforcement of the Pauli principle is typically a numerically demanding task, responsible for much of the cost of the calculations. The interplay of these three elements—the structure of the many-body spectrum, the statistical partitioning of the N particles among the available levels, and the enforcement of the Pauli principle—drives the behavior of mesoscopic and macroscopic Fermi systems. In this paper, we develop an approach for the determination of the partition function, a numerically difficult task, for systems of strongly interacting identical fermions and apply it to a model system of harmonically confined, harmonically interacting fermions. This approach uses a recently introduced many-body method that is an extension of the symmetry-invariant perturbation method (SPT) originally developed for bosons. It uses group theory and graphical techniques to avoid the heavy computational demands of conventional many-body methods which typically scale exponentially with the number of particles. The SPT application of the Pauli principle is trivial to implement since it is done "on paper" by imposing restrictions on the normal-mode quantum numbers at first order in the perturbation. The method is applied through first order and represents an extension of the SPT method to excited states. Our method of determining the partition function and various thermodynamic quantities is accurate and efficient and has the potential to yield interesting insight into the role played by the Pauli

  1. Split kinetic energy method for quantum systems with competing potentials

    International Nuclear Information System (INIS)

    Mineo, H.; Chao, Sheng D.

    2012-01-01

    For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such a kind of problems, we develop a general solution scheme based on a new energy dissection idea. Instead of dividing the potential energy into “unperturbed” and “perturbed” terms, a partition of the kinetic energy is performed. By distributing the kinetic energy term in part into each individual potential, the Hamiltonian can be expressed as the sum of the subsystem Hamiltonians with respective competing potentials. The total wavefunction is expanded by using a linear combination of the basis sets of respective subsystem Hamiltonians. We first illustrate the solution procedure using a simple system consisting of a particle under the action of double δ-function potentials. Next, this method is applied to the prototype systems of a charged harmonic oscillator in strong magnetic field and the hydrogen molecule ion. Compared with the usual perturbation approach, this new scheme converges much faster to the exact solutions for both eigenvalues and eigenfunctions. When properly extended, this new solution scheme can be very useful for dealing with strongly coupling quantum systems. - Highlights: ► A new basis set expansion method is proposed. ► Split kinetic energy method is proposed to solve quantum eigenvalue problems. ► Significant improvement has been obtained in converging to exact results. ► Extension of such methods is promising and discussed.

  2. Determination of the rate of energy partition in deeply inelastic collisions

    International Nuclear Information System (INIS)

    Lazzarini, A.; Vandenbosch, R.

    1984-01-01

    We discuss how excitation energy is partitioned in a deeply inelastic collision. Using the nucleon exchange mechanism for the deep inelastic scattering process, it is possible to draw on existing information about the evolution of the charge and mass distributions with energy loss and combine this with recent information on the partition of excitation energy in deeply inelastic collisions to obtain rates of heating for the two reaction partners

  3. Quantum energy teleportation in a quantum Hall system

    Energy Technology Data Exchange (ETDEWEB)

    Yusa, Go; Izumida, Wataru; Hotta, Masahiro [Department of Physics, Tohoku University, Sendai 980-8578 (Japan)

    2011-09-15

    We propose an experimental method for a quantum protocol termed quantum energy teleportation (QET), which allows energy transportation to a remote location without physical carriers. Using a quantum Hall system as a realistic model, we discuss the physical significance of QET and estimate the order of energy gain using reasonable experimental parameters.

  4. Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method.

    Science.gov (United States)

    Watanabe, Hiroshi C; Kubillus, Maximilian; Kubař, Tomáš; Stach, Robert; Mizaikoff, Boris; Ishikita, Hiroshi

    2017-07-21

    In the condensed phase, quantum chemical properties such as many-body effects and intermolecular charge fluctuations are critical determinants of the solvation structure and dynamics. Thus, a quantum mechanical (QM) molecular description is required for both solute and solvent to incorporate these properties. However, it is challenging to conduct molecular dynamics (MD) simulations for condensed systems of sufficient scale when adapting QM potentials. To overcome this problem, we recently developed the size-consistent multi-partitioning (SCMP) quantum mechanics/molecular mechanics (QM/MM) method and realized stable and accurate MD simulations, using the QM potential to a benchmark system. In the present study, as the first application of the SCMP method, we have investigated the structures and dynamics of Na + , K + , and Ca 2+ solutions based on nanosecond-scale sampling, a sampling 100-times longer than that of conventional QM-based samplings. Furthermore, we have evaluated two dynamic properties, the diffusion coefficient and difference spectra, with high statistical certainty. Furthermore the calculation of these properties has not previously been possible within the conventional QM/MM framework. Based on our analysis, we have quantitatively evaluated the quantum chemical solvation effects, which show distinct differences between the cations.

  5. Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

    Science.gov (United States)

    Jakobtorweihen, S.; Zuniga, A. Chaides; Ingram, T.; Gerlach, T.; Keil, F. J.; Smirnova, I.

    2014-07-01

    Quantitative predictions of biomembrane/water partition coefficients are important, as they are a key property in pharmaceutical applications and toxicological studies. Molecular dynamics (MD) simulations are used to calculate free energy profiles for different solutes in lipid bilayers. How to calculate partition coefficients from these profiles is discussed in detail and different definitions of partition coefficients are compared. Importantly, it is shown that the calculated coefficients are in quantitative agreement with experimental results. Furthermore, we compare free energy profiles from MD simulations to profiles obtained by the recent method COSMOmic, which is an extension of the conductor-like screening model for realistic solvation to micelles and biomembranes. The free energy profiles from these molecular methods are in good agreement. Additionally, solute orientations calculated with MD and COSMOmic are compared and again a good agreement is found. Four different solutes are investigated in detail: 4-ethylphenol, propanol, 5-phenylvaleric acid, and dibenz[a,h]anthracene, whereby the latter belongs to the class of polycyclic aromatic hydrocarbons. The convergence of the free energy profiles from biased MD simulations is discussed and the results are shown to be comparable to equilibrium MD simulations. For 5-phenylvaleric acid the influence of the carboxyl group dihedral angle on free energy profiles is analyzed with MD simulations.

  6. Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

    International Nuclear Information System (INIS)

    Jakobtorweihen, S.; Ingram, T.; Gerlach, T.; Smirnova, I.; Zuniga, A. Chaides; Keil, F. J.

    2014-01-01

    Quantitative predictions of biomembrane/water partition coefficients are important, as they are a key property in pharmaceutical applications and toxicological studies. Molecular dynamics (MD) simulations are used to calculate free energy profiles for different solutes in lipid bilayers. How to calculate partition coefficients from these profiles is discussed in detail and different definitions of partition coefficients are compared. Importantly, it is shown that the calculated coefficients are in quantitative agreement with experimental results. Furthermore, we compare free energy profiles from MD simulations to profiles obtained by the recent method COSMOmic, which is an extension of the conductor-like screening model for realistic solvation to micelles and biomembranes. The free energy profiles from these molecular methods are in good agreement. Additionally, solute orientations calculated with MD and COSMOmic are compared and again a good agreement is found. Four different solutes are investigated in detail: 4-ethylphenol, propanol, 5-phenylvaleric acid, and dibenz[a,h]anthracene, whereby the latter belongs to the class of polycyclic aromatic hydrocarbons. The convergence of the free energy profiles from biased MD simulations is discussed and the results are shown to be comparable to equilibrium MD simulations. For 5-phenylvaleric acid the influence of the carboxyl group dihedral angle on free energy profiles is analyzed with MD simulations

  7. Partition functions for quantum gravity, black holes, elliptic genera and Lie algebra homologies

    Energy Technology Data Exchange (ETDEWEB)

    Bonora, L., E-mail: bonora@sissa.it [International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste (Italy); Bytsenko, A.A., E-mail: abyts@uel.br [Departamento de Fisica, Universidade Estadual de Londrina, Caixa Postal 6001, Londrina (Brazil)

    2011-11-11

    There is a remarkable connection between quantum generating functions of field theory and formal power series associated with dimensions of chains and homologies of suitable Lie algebras. We discuss the homological aspects of this connection with its applications to partition functions of the minimal three-dimensional gravities in the space-time asymptotic to AdS{sub 3}, which also describe the three-dimensional Euclidean black holes, the pure N=1 supergravity, and a sigma model on N-fold generalized symmetric products. We also consider in the same context elliptic genera of some supersymmetric sigma models. These examples can be considered as a straightforward application of the machinery of modular forms and spectral functions (with values in the congruence subgroup of SL(2,Z)) to partition functions represented by means of formal power series that encode Lie algebra properties.

  8. Dynamic isotope effect on the product energy partitioning in CH2OH+→CHO++H2

    Science.gov (United States)

    Rhee, Young Min; Kim, Myung Soo

    1998-10-01

    The deuterium isotope effect on the product energy partitioning in the title reaction was investigated both experimentally and theoretically. The measured kinetic energy release (KER) showed a significant dependence on the position of deuteration. A reliable potential energy surface of the reaction was constructed from ab initio results using the recently developed interpolation algorithm. The classical trajectory calculation on this surface well reproduced the experimental finding. Close inspection of the potential energy surface revealed that the isotope effect on KER and the product rotations arose from the alteration of the symmetry of the reaction path near the transition state induced by the mass change upon isotopic substitution. The product vibrations were found to be affected by the change in the coupling constants which also arose from the mass-dependent change in the reaction path. Possibility of the quantum mechanical tunneling was also considered. Tunneling-corrected classical trajectory results were in excellent agreement with the experimental ones, indicating that the reaction proceeds via barrier penetration below the threshold.

  9. Quantum correlations in multipartite quantum systems

    Science.gov (United States)

    Jafarizadeh, M. A.; Heshmati, A.; Karimi, N.; Yahyavi, M.

    2018-03-01

    Quantum entanglement is the most famous type of quantum correlation between elements of a quantum system that has a basic role in quantum communication protocols like quantum cryptography, teleportation and Bell inequality detection. However, it has already been shown that various applications in quantum information theory do not require entanglement. Quantum discord as a new kind of quantum correlations beyond entanglement, is the most popular candidate for general quantum correlations. In this paper, first we find the entanglement witness in a particular multipartite quantum system which consists of a N-partite system in 2 n -dimensional space. Then we give an exact analytical formula for the quantum discord of this system. At the end of the paper, we investigate the additivity relation of the quantum correlation and show that this relation is satisfied for a N-partite system with 2 n -dimensional space.

  10. Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation

    Directory of Open Access Journals (Sweden)

    Koji Ogata

    2018-02-01

    Full Text Available The octanol–water partition coefficient (logPow is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the logPow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆Gwater values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of logPow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted logPow values.

  11. Light energy partitioning, photosynthetic efficiency and biomass allocation in invasive Prunus serotina and native Quercus petraea in relation to light environment, competition and allelopathy.

    Science.gov (United States)

    Robakowski, Piotr; Bielinis, Ernest; Sendall, Kerrie

    2018-05-01

    This study addressed whether competition under different light environments was reflected by changes in leaf absorbed light energy partitioning, photosynthetic efficiency, relative growth rate and biomass allocation in invasive and native competitors. Additionally, a potential allelopathic effect of mulching with invasive Prunus serotina leaves on native Quercus petraea growth and photosynthesis was tested. The effect of light environment on leaf absorbed light energy partitioning and photosynthetic characteristics was more pronounced than the effects of interspecific competition and allelopathy. The quantum yield of PSII of invasive P. serotina increased in the presence of a competitor, indicating a higher plasticity in energy partitioning for the invasive over the native Q. petraea, giving it a competitive advantage. The most striking difference between the two study species was the higher crown-level net CO 2 assimilation rates (A crown ) of P. serotina compared with Q. petraea. At the juvenile life stage, higher relative growth rate and higher biomass allocation to foliage allowed P. serotina to absorb and use light energy for photosynthesis more efficiently than Q. petraea. Species-specific strategies of growth, biomass allocation, light energy partitioning and photosynthetic efficiency varied with the light environment and gave an advantage to the invader over its native competitor in competition for light. However, higher biomass allocation to roots in Q. petraea allows for greater belowground competition for water and nutrients as compared to P. serotina. This niche differentiation may compensate for the lower aboveground competitiveness of the native species and explain its ability to co-occur with the invasive competitor in natural forest settings.

  12. Toward demonstrating controlled-X operation based on continuous-variable four-partite cluster states and quantum teleporters

    International Nuclear Information System (INIS)

    Wang Yu; Su Xiaolong; Shen Heng; Tan Aihong; Xie Changde; Peng Kunchi

    2010-01-01

    One-way quantum computation based on measurement and multipartite cluster entanglement offers the ability to perform a variety of unitary operations only through different choices of measurement bases. Here we present an experimental study toward demonstrating the controlled-X operation, a two-mode gate in which continuous variable (CV) four-partite cluster states of optical modes are utilized. Two quantum teleportation elements are used for achieving the gate operation of the quantum state transformation from input target and control states to output states. By means of the optical cluster state prepared off-line, the homodyne detection and electronic feeding forward, the information carried by the input control state is transformed to the output target state. The presented scheme of the controlled-X operation based on teleportation can be implemented nonlocally and deterministically. The distortion of the quantum information resulting from the imperfect cluster entanglement is estimated with the fidelity.

  13. Region-based Image Segmentation by Watershed Partition and DCT Energy Compaction

    Directory of Open Access Journals (Sweden)

    Chi-Man Pun

    2012-02-01

    Full Text Available An image segmentation approach by improved watershed partition and DCT energy compaction has been proposed in this paper. The proposed energy compaction, which expresses the local texture of an image area, is derived by exploiting the discrete cosine transform. The algorithm is a hybrid segmentation technique which is composed of three stages. First, the watershed transform is utilized by preprocessing techniques: edge detection and marker in order to partition the image in to several small disjoint patches, while the region size, mean and variance features are used to calculate region cost for combination. Then in the second merging stage the DCT transform is used for energy compaction which is a criterion for texture comparison and region merging. Finally the image can be segmented into several partitions. The experimental results show that the proposed approach achieved very good segmentation robustness and efficiency, when compared to other state of the art image segmentation algorithms and human segmentation results.

  14. Energy entanglement relation for quantum energy teleportation

    Energy Technology Data Exchange (ETDEWEB)

    Hotta, Masahiro, E-mail: hotta@tuhep.phys.tohoku.ac.j [Department of Physics, Faculty of Science, Tohoku University, Sendai 980-8578 (Japan)

    2010-07-26

    Protocols of quantum energy teleportation (QET), while retaining causality and local energy conservation, enable the transportation of energy from a subsystem of a many-body quantum system to a distant subsystem by local operations and classical communication through ground-state entanglement. We prove two energy-entanglement inequalities for a minimal QET model. These relations help us to gain a profound understanding of entanglement itself as a physical resource by relating entanglement to energy as an evident physical resource.

  15. Radiation-energy partition among mixture components: current ideas on an old question

    International Nuclear Information System (INIS)

    Swallow, A.J.

    1988-01-01

    We review the basis of the familiar idea that the energy partition among mixture components in the initial stage would be governed by the total electron fraction. For considerations of many problems in radiation chemistry, it is better to use the valence-electron fraction. We also point out recent developments in more detailed treatments, which indicate limitations of the very concept of the energy partition for the determination of the yields of initial molecular species that appear under irradiation. (author)

  16. A quantum information approach to statistical mechanics

    International Nuclear Information System (INIS)

    Cuevas, G.

    2011-01-01

    The field of quantum information and computation harnesses and exploits the properties of quantum mechanics to perform tasks more efficiently than their classical counterparts, or that may uniquely be possible in the quantum world. Its findings and techniques have been applied to a number of fields, such as the study of entanglement in strongly correlated systems, new simulation techniques for many-body physics or, generally, to quantum optics. This thesis aims at broadening the scope of quantum information theory by applying it to problems in statistical mechanics. We focus on classical spin models, which are toy models used in a variety of systems, ranging from magnetism, neural networks, to quantum gravity. We tackle these models using quantum information tools from three different angles. First, we show how the partition function of a class of widely different classical spin models (models in different dimensions, different types of many-body interactions, different symmetries, etc) can be mapped to the partition function of a single model. We prove this by first establishing a relation between partition functions and quantum states, and then transforming the corresponding quantum states to each other. Second, we give efficient quantum algorithms to estimate the partition function of various classical spin models, such as the Ising or the Potts model. The proof is based on a relation between partition functions and quantum circuits, which allows us to determine the quantum computational complexity of the partition function by studying the corresponding quantum circuit. Finally, we outline the possibility of applying quantum information concepts and tools to certain models of dis- crete quantum gravity. The latter provide a natural route to generalize our results, insofar as the central quantity has the form of a partition function, and as classical spin models are used as toy models of matter. (author)

  17. Biexciton binding energy in ZnSe quantum wells and quantum wires

    DEFF Research Database (Denmark)

    Wagner, Hans-Peter; Langbein, Wolfgang; Hvam, Jørn Märcher

    2002-01-01

    The biexciton binding energy E-XX is investigated in ZnSe/ZnMgSe quantum wells and quantum wires as a function of the lateral confinement by transient four-wave mixing. In the quantum wells one observes for decreasing well width a significant increase in the relative binding energy, saturating...... for well widths less than 8 nm. In the quantum wires an increase of 30% is found in the smallest quantum wire structures compared to the corresponding quantum well value. A simple analytical model taking into account the quantum confinement in these low-dimensional systems is used to explain...

  18. On the Temperature of the Photosphere: Energy Partition in the Sun

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2011-07-01

    Full Text Available In this note, energy partition within the Sun is briefly addressed. It is argued that the laws of thermal emission cannot be directly applied to the Sun, as the continuous solar spectrum ( T app 6 ; 000K reveals but a small fraction of the true solar energy profile. Without considering the energy linked to fusion itself, it is hypothesized that most of the photospheric energy remains trapped in the Sun’s translational degrees of freedom and associated convection currents. The Sun is known to support both convective granules and differential rotation on its surface. The emission of X-rays in association with eruptive flares and the elevated temperatures of the corona might provide some measure of these energies. At the same time, it is expected that a fraction of the solar energy remains tied to the filling of conduction bands by electrons especially within sunspots. This constitutes a degree of freedom whose importance cannot be easily assessed. The discussion highlights how little is truly understood about energy partition in the Sun.

  19. Subcellular partitioning kinetics, metallothionein response and oxidative damage in the marine mussel Mytilus galloprovincialis exposed to cadmium-based quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Rocha, Thiago Lopes [CIMA, Faculty of Science and Technology, University of Algarve, Campus de Gambelas, 8005-139 Faro (Portugal); Gomes, Tânia [CIMA, Faculty of Science and Technology, University of Algarve, Campus de Gambelas, 8005-139 Faro (Portugal); Norwegian Institute for Water Research (NIVA), Gaustadalléen 21, NO-0349 Oslo (Norway); Durigon, Emerson Giuliani [CIMA, Faculty of Science and Technology, University of Algarve, Campus de Gambelas, 8005-139 Faro (Portugal); Bebianno, Maria João, E-mail: mbebian@ualg.pt [CIMA, Faculty of Science and Technology, University of Algarve, Campus de Gambelas, 8005-139 Faro (Portugal)

    2016-06-01

    The environmental health impact of metal-based nanomaterials is of emerging concern, but their metabolism and detoxification pathways in marine bioindicator species remain unclear. This study investigated the role of subcellular partitioning kinetics, metallothioneins (MTs) response and oxidative damage (lipid peroxidation – LPO) in the marine mussel Mytilus galloprovincialis exposed to CdTe quantum dots (QDs) in comparison with its dissolved counterpart. Mussels were exposed to QDs and dissolved Cd for 21 days at 10 μg Cd L{sup −1} followed by a 50 days depuration. Higher Cd concentrations were detected in fractions containing mitochondria, nucleus and lysosomes, suggesting potential subcellular targets of QDs toxicity in mussel tissues. Tissue specific metabolism patterns were observed in mussels exposed to both Cd forms. Although MT levels were directly associated with Cd in both forms, QDs subcellular partitioning is linked to biologically active metal (BAM), but no increase in LPO occurred, while in the case of dissolved Cd levels are in the biologically detoxified metal (BDM) form, indicating nano-specific effects. Mussel gills showed lower detoxification capability of QDs, while the digestive gland is the major tissue for storage and detoxification of both Cd forms. Both mussel tissues were unable to completely eliminate the Cd accumulated in the QDs form (estimated half-life time > 50 days), highlighting the potential source of Cd and QDs toxicity for human and environmental health. Results indicate tissue specific metabolism patterns and nano-specific effects in marine mussel exposed to QDs. - Highlights: • Subcellular partitioning and MT response are Cd form, tissue and time dependent. • Tissue specific metabolism of Cd-based quantum dots (QDs) in marine mussels. • QDs are slower biologically detoxified when compared to dissolved Cd. • Subcellular partitioning and biomarker responses indicate nano-specific effects. • Subcellular

  20. Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level.

    Science.gov (United States)

    Olsson, Martin A; Söderhjelm, Pär; Ryde, Ulf

    2016-06-30

    In this article, the convergence of quantum mechanical (QM) free-energy simulations based on molecular dynamics simulations at the molecular mechanics (MM) level has been investigated. We have estimated relative free energies for the binding of nine cyclic carboxylate ligands to the octa-acid deep-cavity host, including the host, the ligand, and all water molecules within 4.5 Å of the ligand in the QM calculations (158-224 atoms). We use single-step exponential averaging (ssEA) and the non-Boltzmann Bennett acceptance ratio (NBB) methods to estimate QM/MM free energy with the semi-empirical PM6-DH2X method, both based on interaction energies. We show that ssEA with cumulant expansion gives a better convergence and uses half as many QM calculations as NBB, although the two methods give consistent results. With 720,000 QM calculations per transformation, QM/MM free-energy estimates with a precision of 1 kJ/mol can be obtained for all eight relative energies with ssEA, showing that this approach can be used to calculate converged QM/MM binding free energies for realistic systems and large QM partitions. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

  1. Converging ligand‐binding free energies obtained with free‐energy perturbations at the quantum mechanical level

    Science.gov (United States)

    Olsson, Martin A.; Söderhjelm, Pär

    2016-01-01

    In this article, the convergence of quantum mechanical (QM) free‐energy simulations based on molecular dynamics simulations at the molecular mechanics (MM) level has been investigated. We have estimated relative free energies for the binding of nine cyclic carboxylate ligands to the octa‐acid deep‐cavity host, including the host, the ligand, and all water molecules within 4.5 Å of the ligand in the QM calculations (158–224 atoms). We use single‐step exponential averaging (ssEA) and the non‐Boltzmann Bennett acceptance ratio (NBB) methods to estimate QM/MM free energy with the semi‐empirical PM6‐DH2X method, both based on interaction energies. We show that ssEA with cumulant expansion gives a better convergence and uses half as many QM calculations as NBB, although the two methods give consistent results. With 720,000 QM calculations per transformation, QM/MM free‐energy estimates with a precision of 1 kJ/mol can be obtained for all eight relative energies with ssEA, showing that this approach can be used to calculate converged QM/MM binding free energies for realistic systems and large QM partitions. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:27117350

  2. Bare Quantum Null Energy Condition.

    Science.gov (United States)

    Fu, Zicao; Marolf, Donald

    2018-02-16

    The quantum null energy condition (QNEC) is a conjectured relation between a null version of quantum field theory energy and derivatives of quantum field theory von Neumann entropy. In some cases, divergences cancel between these two terms and the QNEC is intrinsically finite. We study the more general case here where they do not and argue that a QNEC can still hold for bare (unrenormalized) quantities. While the original QNEC applied only to locally stationary null congruences in backgrounds that solve semiclassical theories of quantum gravity, at least in the formal perturbation theory at a small Planck length, the quantum focusing conjecture can be viewed as the special case of our bare QNEC for which the metric is on shell.

  3. Approximate calculation of electronic energy levels of axially symmetric quantum dot and quantum ring by using energy dependent effective mass

    International Nuclear Information System (INIS)

    Yu-Min, Liu; Zhong-Yuan, Yu; Xiao-Min, Ren

    2009-01-01

    Calculations of electronic structures about the semiconductor quantum dot and the semiconductor quantum ring are presented in this paper. To reduce the calculation costs, for the quantum dot and the quantum ring, their simplified axially symmetric shapes are utilized in our analysis. The energy dependent effective mass is taken into account in solving the Schrödinger equations in the single band effective mass approximation. The calculated results show that the energy dependent effective mass should be considered only for relatively small volume quantum dots or small quantum rings. For large size quantum materials, both the energy dependent effective mass and the parabolic effective mass can give the same results. The energy states and the effective masses of the quantum dot and the quantum ring as a function of geometric parameters are also discussed in detail. (general)

  4. Quantum chaos, thermalization and dissipation in nuclear systems

    Indian Academy of Sciences (India)

    as a partition function for equilibrium positions of charged particles on a line with a neutralizing background ... With the advance- ment of our .... Quantum mechanically, the difficulty is in showing that the energy distribution,η´Eµ, defined below.

  5. Double-partition Quantum Cluster Algebras

    DEFF Research Database (Denmark)

    Jakobsen, Hans Plesner; Zhang, Hechun

    2012-01-01

    A family of quantum cluster algebras is introduced and studied. In general, these algebras are new, but sub-classes have been studied previously by other authors. The algebras are indexed by double parti- tions or double flag varieties. Equivalently, they are indexed by broken lines L. By grouping...... together neighboring mutations into quantum line mutations we can mutate from the cluster algebra of one broken line to another. Compatible pairs can be written down. The algebras are equal to their upper cluster algebras. The variables of the quantum seeds are given by elements of the dual canonical basis....

  6. Scalable Quantum Simulation of Molecular Energies

    Directory of Open Access Journals (Sweden)

    P. J. J. O’Malley

    2016-07-01

    Full Text Available We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms. First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver. Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result. Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation. We compare the experimental performance of these approaches to show clear evidence that the variational quantum eigensolver is robust to certain errors. This error tolerance inspires hope that variational quantum simulations of classically intractable molecules may be viable in the near future.

  7. Quantum entangling power of adiabatically connected Hamiltonians

    International Nuclear Information System (INIS)

    Hamma, Alioscia; Zanardi, Paolo

    2004-01-01

    The space of quantum Hamiltonians has a natural partition in classes of operators that can be adiabatically deformed into each other. We consider parametric families of Hamiltonians acting on a bipartite quantum state space. When the different Hamiltonians in the family fall in the same adiabatic class, one can manipulate entanglement by moving through energy eigenstates corresponding to different values of the control parameters. We introduce an associated notion of adiabatic entangling power. This novel measure is analyzed for general dxd quantum systems, and specific two-qubit examples are studied

  8. Energy Dissipation in Quantum Computers

    OpenAIRE

    Granik, A.; Chapline, G.

    2003-01-01

    A method is described for calculating the heat generated in a quantum computer due to loss of quantum phase information. Amazingly enough, this heat generation can take place at zero temperature. and may explain why it is impossible to extract energy from vacuum fluctuations. Implications for optical computers and quantum cosmology are also briefly discussed.

  9. Multiparty Quantum Secret Sharing of Quantum States Using Entanglement States

    International Nuclear Information System (INIS)

    Ying, Guo; Da-Zu, Huang; Gui-Hua, Zeng; Ho, Lee Moon

    2008-01-01

    A multi-partite-controlled quantum secret sharing scheme using several non-orthogonal entanglement states is presented with unconditional security. In this scheme, the participants share the secret quantum state by exchanging the secret polarization angles of the disordered travel particles. The security of the secret quantum state is also guaranteed by the non-orthogonal multi-partite-controlled entanglement states, the participants' secret polarizations, and the disorder of the travelling particles. Moreover, the present scheme is secure against the particle-number splitting attack and the intercept-and-resend attack. It may be still secure even if the distributed quantum state is embedded in a not-so-weak coherent-state pulse

  10. Energy spectra of quantum rings.

    Science.gov (United States)

    Fuhrer, A; Lüscher, S; Ihn, T; Heinzel, T; Ensslin, K; Wegscheider, W; Bichler, M

    2001-10-25

    Quantum mechanical experiments in ring geometries have long fascinated physicists. Open rings connected to leads, for example, allow the observation of the Aharonov-Bohm effect, one of the best examples of quantum mechanical phase coherence. The phase coherence of electrons travelling through a quantum dot embedded in one arm of an open ring has also been demonstrated. The energy spectra of closed rings have only recently been studied by optical spectroscopy. The prediction that they allow persistent current has been explored in various experiments. Here we report magnetotransport experiments on closed rings in the Coulomb blockade regime. Our experiments show that a microscopic understanding of energy levels, so far limited to few-electron quantum dots, can be extended to a many-electron system. A semiclassical interpretation of our results indicates that electron motion in the rings is governed by regular rather than chaotic motion, an unexplored regime in many-electron quantum dots. This opens a way to experiments where even more complex structures can be investigated at a quantum mechanical level.

  11. Loss energy states of nonstationary quantum systems

    International Nuclear Information System (INIS)

    Dodonov, V.V.; Man'ko, V.I.

    1978-01-01

    The concept of loss energy states is introduced. The loss energy states of the quantum harmonic damping oscillator are considered in detail. The method of constructing the loss energy states for general multidimensional quadratic nonstationary quantum systems is briefly discussed

  12. Energy partitioning for growth by rabbits fed groundnut and stylo ...

    African Journals Online (AJOL)

    Forty eight crossbred (California X New Zealand White) rabbits were used to evaluate energy partitioning of rabbits fed forages supplemented with concentrate. The rabbits were randomly allocated to three treatments consisting of sole Stylosanthes hamata (stylo),sole Arachis hypogea (groundnut) haulms and 50:50 mixture ...

  13. The Euler–Riemann gases, and partition identities

    International Nuclear Information System (INIS)

    Chair, Noureddine

    2013-01-01

    The Euler theorem in partition theory and its generalization are derived from a non-interacting quantum field theory in which each bosonic mode with a given frequency is equivalent to a sum of bosonic mode whose frequency is twice (s-times) as much, and a fermionic (parafermionic) mode with the same frequency. Explicit formulas for the graded parafermionic partition functions are obtained, and the inverse of the graded partition function (IGPPF), turns out to be bosonic (fermionic) partition function depending on the parity of the order s of the parafermions. It is also shown that these partition functions are generating functions of partitions of integers with restrictions, the Euler generating function is identified with the inverse of the graded parafermionic partition function of order 2. As a result we obtain new sequences of partitions of integers with given restrictions. If the parity of the order s is even, then mixing a system of parafermions with a system whose partition function is (IGPPF), results in a system of fermions and bosons. On the other hand, if the parity of s is odd, then, the system we obtain is still a mixture of fermions and bosons but the corresponding Fock space of states is truncated. It turns out that these partition functions are given in terms of the Jacobi theta function θ 4 , and generate sequences in partition theory. Our partition functions coincide with the overpartitions of Corteel and Lovejoy, and jagged partitions in conformal field theory. Also, the partition functions obtained are related to the Ramond characters of the superconformal minimal models, and in the counting of the Moore–Read edge spectra that appear in the fractional quantum Hall effect. The different partition functions for the Riemann gas that are the counter parts of the Euler gas are obtained by a simple change of variables. In particular the counter part of the Jacobi theta function is (ζ(2t))/(ζ(t) 2 ) . Finally, we propose two formulas which brings

  14. Tundra permafrost thaw causes significant shifts in energy partitioning

    Directory of Open Access Journals (Sweden)

    Christian Stiegler

    2016-04-01

    Full Text Available Permafrost, a key component of the arctic and global climate system, is highly sensitive to climate change. Observed and ongoing permafrost degradation influences arctic hydrology, ecology and biogeochemistry, and models predict that rapid warming is expected to significantly reduce near-surface permafrost and seasonally frozen ground during the 21st century. These changes raise concern of how permafrost thaw affects the exchange of water and energy with the atmosphere. However, associated impacts of permafrost thaw on the surface energy balance and possible feedbacks on the climate system are largely unknown. In this study, we show that in northern subarctic Sweden, permafrost thaw and related degradation of peat plateaus significantly change the surface energy balance of three peatland complexes by enhancing latent heat flux and, to less degree, also ground heat flux at the cost of sensible heat flux. This effect is valid at all radiation levels but more pronounced at higher radiation levels. The observed differences in flux partitioning mainly result from the strong coupling between soil moisture availability, vegetation composition, albedo and surface structure. Our results suggest that ongoing and predicted permafrost degradation in northern subarctic Sweden ultimately result in changes in land–atmosphere coupling due to changes in the partitioning between latent and sensible heat fluxes. This in turn has crucial implications for how predictive climate models for the Arctic are further developed.

  15. Quantum theory with an energy operator defined as a quartic form of the momentum

    Energy Technology Data Exchange (ETDEWEB)

    Bezák, Viktor, E-mail: bezak@fmph.uniba.sk

    2016-09-15

    Quantum theory of the non-harmonic oscillator defined by the energy operator proposed by Yurke and Buks (2006) is presented. Although these authors considered a specific problem related to a model of transmission lines in a Kerr medium, our ambition is not to discuss the physical substantiation of their model. Instead, we consider the problem from an abstract, logically deductive, viewpoint. Using the Yurke–Buks energy operator, we focus attention on the imaginary-time propagator. We derive it as a functional of the Mehler kernel and, alternatively, as an exact series involving Hermite polynomials. For a statistical ensemble of identical oscillators defined by the Yurke–Buks energy operator, we calculate the partition function, average energy, free energy and entropy. Using the diagonal element of the canonical density matrix of this ensemble in the coordinate representation, we define a probability density, which appears to be a deformed Gaussian distribution. A peculiarity of this probability density is that it may reveal, when plotted as a function of the position variable, a shape with two peaks located symmetrically with respect to the central point.

  16. Excitation energy partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

    International Nuclear Information System (INIS)

    Blocki, J.; Grotowski, K.; Planeta, R.

    1990-01-01

    The distribution of the excitation energy between both fragments in Heavy Ion Collision has been measured recently for the reaction 74 Ge + 165 Ho at 8.5 MeV/A. One can see from the experimental data a gradual transition from moreless equal partition of the heat for the peripheral collisions (small energy loss) toward equal temperatures in more central collisions (high energy loss). The similar dependence of the heat partition as a function of the energy loss was observed earlier by Vandenbosch et al for the reaction 56 Fe + 238 U at 8.5 MeV/A and by Benton et al for the 56 Fe + 165 Ho for a broad range of energy dissipation. Theoretical calculations leading to the excitation energy division between both fragments have been carried out by Randrup and by Feldmeier. In both calculations the same excitation mechanism was assumed which is the exchange of particles between colliding nuclei. Differences between results are mainly due to the different shape parametrization and calculation of the potential energy. Randrup's results are moving much faster towards equal temperatures limit if one goes to more central collisions. Both models however do not predict the direction of the experimental mass flow for the 56 Fe + 165 Ho system. In the present paper classical dynamical calculations following Feldmeir's approach with some modifications are presented for 74 Ge + 165 Ho system

  17. Tunable evolutions of shock absorption and energy partitioning in magnetic granular chains

    Science.gov (United States)

    Leng, Dingxin; Liu, Guijie; Sun, Lingyu

    2018-01-01

    In this paper, we investigate the tunable characteristics of shock waves propagating in one-dimensional magnetic granular chains at various chain lengths and magnetic flux densities. According to the Hertz contact theory and Maxwell principle, a discrete element model with coupling elastic and field-induced interaction potentials of adjacent magnetic grains is proposed. We also present hard-sphere approximation analysis to describe the energy partitioning features of magnetic granular chains. The results demonstrate that, for a fixed magnetic field strength, when the chain length is greater than two times of the wave width of the solitary wave, the chain length has little effect on the output energy of the system; for a fixed chain length, the shock absorption and energy partitioning features of magnetic granular chains are remarkably influenced by varying magnetic flux densities. This study implies that the magnetic granular chain is potential to construct adaptive shock absorption components for impulse mitigation.

  18. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

    Science.gov (United States)

    Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

    2017-10-14

    Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN

  19. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    International Nuclear Information System (INIS)

    You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

    2015-01-01

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

  20. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    Energy Technology Data Exchange (ETDEWEB)

    You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

    2015-11-28

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

  1. The Application of Quantum Energy Saver on Engine

    Directory of Open Access Journals (Sweden)

    Fang Xiong

    2016-01-01

    Full Text Available In order to reduce diesel fuel consumption, this paper conducts the research in view of a new type of quantum energy saving device, and then produce the sample and applied on automobile engine, Detect fuel use of an automobile by automobile fuel saving technology as-sessment methods from the department of transportation. Compare the changes of fuel use be-fore and after installation of quantum energy saving device on the same car, and give the feed-back of energy saving capability. The result shows, after installed quantum energy saver, both fuel consumption and the smoke of tail gas has decreased. The analysis and application of this paper carry out the conclusion that the quantum energy saver can play an important role in en-ergy saving and emission reduction, and provide a reference for other related research.

  2. From Quantum Mechanics to Quantum Field Theory: The Hopf route

    Energy Technology Data Exchange (ETDEWEB)

    Solomon, A I [Physics and Astronomy Department, Open University, Milton Keynes MK7 6AA (United Kingdom); Duchamp, G H E [Institut Galilee, LIPN, CNRS UMR 7030 99 Av. J.-B. Clement, F-93430 Villetaneuse (France); Blasiak, P; Horzela, A [H. Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, Division of Theoretical Physics, ul. Eliasza-Radzikowskiego 152, PL 31-342 Krakow (Poland); Penson, K A, E-mail: a.i.solomon@open.ac.uk, E-mail: gduchamp2@free.fr, E-mail: pawel.blasiak@ifj.edu.pl, E-mail: andrzej.horzela@ifj.edu.pl, E-mail: penson@lptl.jussieu.fr [Lab.de Phys.Theor. de la Matiere Condensee, University of Paris VI (France)

    2011-03-01

    We show that the combinatorial numbers known as Bell numbers are generic in quantum physics. This is because they arise in the procedure known as Normal ordering of bosons, a procedure which is involved in the evaluation of quantum functions such as the canonical partition function of quantum statistical physics, inter alia. In fact, we shall show that an evaluation of the non-interacting partition function for a single boson system is identical to integrating the exponential generating function of the Bell numbers, which is a device for encapsulating a combinatorial sequence in a single function. We then introduce a remarkable equality, the Dobinski relation, and use it to indicate why renormalisation is necessary in even the simplest of perturbation expansions for a partition function. Finally we introduce a global algebraic description of this simple model, giving a Hopf algebra, which provides a starting point for extensions to more complex physical systems.

  3. Energy Partitioning and Thyroid Hormone Levels During Salmonella enteritidis Infections in Pullets with High or Low Residual Feed Intake

    NARCIS (Netherlands)

    Eerden, van E.; Brand, van den H.; Heetkamp, M.J.W.; Decuypere, M.P.; Kemp, B.

    2006-01-01

    This experiment was conducted to investigate whether feed efficiency, as measured by residual feed intake as a phenotypic trait, affects energy partitioning in pullets that have received Salmonella inoculation as an immune challenge. In each of 8 trials, energy partitioning was measured during 5 wk

  4. Effects of dynamical paths on the energy gap and the corrections to the free energy in path integrals of mean-field quantum spin systems

    Science.gov (United States)

    Koh, Yang Wei

    2018-03-01

    In current studies of mean-field quantum spin systems, much attention is placed on the calculation of the ground-state energy and the excitation gap, especially the latter, which plays an important role in quantum annealing. In pure systems, the finite gap can be obtained by various existing methods such as the Holstein-Primakoff transform, while the tunneling splitting at first-order phase transitions has also been studied in detail using instantons in many previous works. In disordered systems, however, it remains challenging to compute the gap of large-size systems with specific realization of disorder. Hitherto, only quantum Monte Carlo techniques are practical for such studies. Recently, Knysh [Nature Comm. 7, 12370 (2016), 10.1038/ncomms12370] proposed a method where the exponentially large dimensionality of such systems is condensed onto a random potential of much lower dimension, enabling efficient study of such systems. Here we propose a slightly different approach, building upon the method of static approximation of the partition function widely used for analyzing mean-field models. Quantum effects giving rise to the excitation gap and nonextensive corrections to the free energy are accounted for by incorporating dynamical paths into the path integral. The time-dependence of the trace of the time-ordered exponential of the effective Hamiltonian is calculated by solving a differential equation perturbatively, yielding a finite-size series expansion of the path integral. Formulae for the first excited-state energy are proposed to aid in computing the gap. We illustrate our approach using the infinite-range ferromagnetic Ising model and the Hopfield model, both in the presence of a transverse field.

  5. Dark energy from quantum matter

    International Nuclear Information System (INIS)

    Dappiaggi, Claudio; Hack, Thomas-Paul; Moeller, Jan; Pinamonti, Nicola

    2010-07-01

    We study the backreaction of free quantum fields on a flat Robertson-Walker spacetime. Apart from renormalization freedom, the vacuum energy receives contributions from both the trace anomaly and the thermal nature of the quantum state. The former represents a dynamical realisation of dark energy, while the latter mimics an effective dark matter component. The semiclassical dynamics yield two classes of asymptotically stable solutions. The first reproduces the CDM model in a suitable regime. The second lacks a classical counterpart, but is in excellent agreement with recent observations. (orig.)

  6. Dark energy from quantum matter

    Energy Technology Data Exchange (ETDEWEB)

    Dappiaggi, Claudio; Hack, Thomas-Paul [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Moeller, Jan [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Gruppe Theorie; Pinamonti, Nicola [Rome-2 Univ. (Italy). Dipt. di Matematica

    2010-07-15

    We study the backreaction of free quantum fields on a flat Robertson-Walker spacetime. Apart from renormalization freedom, the vacuum energy receives contributions from both the trace anomaly and the thermal nature of the quantum state. The former represents a dynamical realisation of dark energy, while the latter mimics an effective dark matter component. The semiclassical dynamics yield two classes of asymptotically stable solutions. The first reproduces the CDM model in a suitable regime. The second lacks a classical counterpart, but is in excellent agreement with recent observations. (orig.)

  7. Dietary energy sources affect the partition of body lipids and the hierarchy of energy metabolic pathways in growing pigs differing in feed efficiency.

    Science.gov (United States)

    Gondret, F; Louveau, I; Mourot, J; Duclos, M J; Lagarrigue, S; Gilbert, H; van Milgen, J

    2014-11-01

    The use and partition of feed energy are key elements in productive efficiency of pigs. This study aimed to determine whether dietary energy sources affect the partition of body lipids and tissue biochemical pathways of energy use between pigs differing in feed efficiency. Forty-eight barrows (pure Large White) from two divergent lines selected for residual feed intake (RFI), a measure of feed efficiency, were compared. From 74 d to 132 ± 0.5 d of age, pigs (n = 12 by line and by diet) were offered diets with equal protein and ME contents. A low fat, low fiber diet (LF) based on cereals and a high fat, high fiber diet (HF) where vegetal oils and wheat straw were used to partially substitute cereals, were compared. Irrespective of diet, gain to feed was 10% better (P energy sources modified the partition of energy between liver, adipose tissue, and muscle in a way that was partly dependent of the genetics for feed efficiency, and changed the activity levels of biochemical pathways involved in lipid and glucose storage in tissues.

  8. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

    Science.gov (United States)

    Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

    2017-10-01

    Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN

  9. A statistical mechanical approach to restricted integer partition functions

    Science.gov (United States)

    Zhou, Chi-Chun; Dai, Wu-Sheng

    2018-05-01

    The main aim of this paper is twofold: (1) suggesting a statistical mechanical approach to the calculation of the generating function of restricted integer partition functions which count the number of partitions—a way of writing an integer as a sum of other integers under certain restrictions. In this approach, the generating function of restricted integer partition functions is constructed from the canonical partition functions of various quantum gases. (2) Introducing a new type of restricted integer partition functions corresponding to general statistics which is a generalization of Gentile statistics in statistical mechanics; many kinds of restricted integer partition functions are special cases of this restricted integer partition function. Moreover, with statistical mechanics as a bridge, we reveal a mathematical fact: the generating function of restricted integer partition function is just the symmetric function which is a class of functions being invariant under the action of permutation groups. Using this approach, we provide some expressions of restricted integer partition functions as examples.

  10. Experimental entanglement of 25 individually accessible atomic quantum interfaces.

    Science.gov (United States)

    Pu, Yunfei; Wu, Yukai; Jiang, Nan; Chang, Wei; Li, Chang; Zhang, Sheng; Duan, Luming

    2018-04-01

    A quantum interface links the stationary qubits in a quantum memory with flying photonic qubits in optical transmission channels and constitutes a critical element for the future quantum internet. Entanglement of quantum interfaces is an important step for the realization of quantum networks. Through heralded detection of photon interference, we generate multipartite entanglement between 25 (or 9) individually addressable quantum interfaces in a multiplexed atomic quantum memory array and confirm genuine 22-partite (or 9-partite) entanglement. This experimental entanglement of a record-high number of individually addressable quantum interfaces makes an important step toward the realization of quantum networks, long-distance quantum communication, and multipartite quantum information processing.

  11. Residual feed intake in young chickens : effects on energy partitioning and immunity

    NARCIS (Netherlands)

    Eerden, van E.

    2007-01-01

    Keywords: chicken, residual feed intake, resource allocation, immune response, Salmonella Enteritidis, energy partitioning.The continuous selection in farm animals for efficient production and high production levels may have led to animals that are "programmed" to put a lot of

  12. Energy balance for a dissipative quantum system

    International Nuclear Information System (INIS)

    Kumar, Jishad

    2014-01-01

    The role of random force in maintaining equilibrium in a dissipative quantum system is studied here. We compute the instantaneous power supplied by the fluctuating (random) force, which provides information about the work done by the random force on the quantum subsystem of interest. The quantum Langevin equation formalism is used here to verify that, at equilibrium, the work done by the fluctuating force balances the energy lost by the quantum subsystem to the heat bath. The quantum subsystem we choose to couple to the heat bath is the charged oscillator in a magnetic field. We perform the calculations using the Drude regularized spectral density of bath oscillators instead of using a strict ohmic spectral density that gives memoryless damping. We also discuss the energy balance for our dissipative quantum system and in this regard it is to be understood that the physical system is the charged magneto-oscillator coupled to the heat bath, not the uncoupled charged magneto-oscillator. (paper)

  13. Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

    Science.gov (United States)

    Lara, A; Riquelme, M; Vöhringer-Martinez, E

    2018-05-11

    Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model

  14. Gentile statistics and restricted partitions

    Indian Academy of Sciences (India)

    In a recent paper (Tran et al, Ann. Phys. 311, 204 (2004)), some asymptotic number theoretical results on the partitioning of an integer were derived exploiting its connection to the quantum density of states of a many-particle system. We generalise these results to obtain an asymptotic formula for the restricted or coloured ...

  15. Genetic background in partitioning of metabolizable energy efficiency in dairy cows.

    Science.gov (United States)

    Mehtiö, T; Negussie, E; Mäntysaari, P; Mäntysaari, E A; Lidauer, M H

    2018-05-01

    The main objective of this study was to assess the genetic differences in metabolizable energy efficiency and efficiency in partitioning metabolizable energy in different pathways: maintenance, milk production, and growth in primiparous dairy cows. Repeatability models for residual energy intake (REI) and metabolizable energy intake (MEI) were compared and the genetic and permanent environmental variations in MEI were partitioned into its energy sinks using random regression models. We proposed 2 new feed efficiency traits: metabolizable energy efficiency (MEE), which is formed by modeling MEI fitting regressions on energy sinks [metabolic body weight (BW 0.75 ), energy-corrected milk, body weight gain, and body weight loss] directly; and partial MEE (pMEE), where the model for MEE is extended with regressions on energy sinks nested within additive genetic and permanent environmental effects. The data used were collected from Luke's experimental farms Rehtijärvi and Minkiö between 1998 and 2014. There were altogether 12,350 weekly MEI records on 495 primiparous Nordic Red dairy cows from wk 2 to 40 of lactation. Heritability estimates for REI and MEE were moderate, 0.33 and 0.26, respectively. The estimate of the residual variance was smaller for MEE than for REI, indicating that analyzing weekly MEI observations simultaneously with energy sinks is preferable. Model validation based on Akaike's information criterion showed that pMEE models fitted the data even better and also resulted in smaller residual variance estimates. However, models that included random regression on BW 0.75 converged slowly. The resulting genetic standard deviation estimate from the pMEE coefficient for milk production was 0.75 MJ of MEI/kg of energy-corrected milk. The derived partial heritabilities for energy efficiency in maintenance, milk production, and growth were 0.02, 0.06, and 0.04, respectively, indicating that some genetic variation may exist in the efficiency of using

  16. Wigner expansions for partition functions of nonrelativistic and relativistic oscillator systems

    Science.gov (United States)

    Zylka, Christian; Vojta, Guenter

    1993-01-01

    The equilibrium quantum statistics of various anharmonic oscillator systems including relativistic systems is considered within the Wigner phase space formalism. For this purpose the Wigner series expansion for the partition function is generalized to include relativistic corrections. The new series for partition functions and all thermodynamic potentials yield quantum corrections in terms of powers of h(sup 2) and relativistic corrections given by Kelvin functions (modified Hankel functions) K(sub nu)(mc(sup 2)/kT). As applications, the symmetric Toda oscillator, isotonic and singular anharmonic oscillators, and hindered rotators, i.e. oscillators with cosine potential, are addressed.

  17. Dynamical singularities of glassy systems in a quantum quench.

    Science.gov (United States)

    Obuchi, Tomoyuki; Takahashi, Kazutaka

    2012-11-01

    We present a prototype of behavior of glassy systems driven by quantum dynamics in a quenching protocol by analyzing the random energy model in a transverse field. We calculate several types of dynamical quantum amplitude and find a freezing transition at some critical time. The behavior is understood by the partition-function zeros in the complex temperature plane. We discuss the properties of the freezing phase as a dynamical chaotic phase, which are contrasted to those of the spin-glass phase in the static system.

  18. Near Source Energy Partitioning for Regional Waves in 2D and 3D Models

    National Research Council Canada - National Science Library

    Xie, Xiao-Bi; Lay, Thome; Wu, Ru-Shan

    2008-01-01

    ...) to calculate seismic wave excitation and propagation in near-source region. An embedded array slowness analysis is used for quantifying how energy will be partitioned into the long-range propagation regime...

  19. Photosynthetic Energy Transfer at the Quantum/Classical Border.

    Science.gov (United States)

    Keren, Nir; Paltiel, Yossi

    2018-06-01

    Quantum mechanics diverges from the classical description of our world when very small scales or very fast processes are involved. Unlike classical mechanics, quantum effects cannot be easily related to our everyday experience and are often counterintuitive to us. Nevertheless, the dimensions and time scales of the photosynthetic energy transfer processes puts them close to the quantum/classical border, bringing them into the range of measurable quantum effects. Here we review recent advances in the field and suggest that photosynthetic processes can take advantage of the sensitivity of quantum effects to the environmental 'noise' as means of tuning exciton energy transfer efficiency. If true, this design principle could be a base for 'nontrivial' coherent wave property nano-devices. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Energy partitioning constraints at kinetic scales in low-β turbulence

    Science.gov (United States)

    Gershman, Daniel J.; F.-Viñas, Adolfo; Dorelli, John C.; Goldstein, Melvyn L.; Shuster, Jason; Avanov, Levon A.; Boardsen, Scott A.; Stawarz, Julia E.; Schwartz, Steven J.; Schiff, Conrad; Lavraud, Benoit; Saito, Yoshifumi; Paterson, William R.; Giles, Barbara L.; Pollock, Craig J.; Strangeway, Robert J.; Russell, Christopher T.; Torbert, Roy B.; Moore, Thomas E.; Burch, James L.

    2018-02-01

    Turbulence is a fundamental physical process through which energy injected into a system at large scales cascades to smaller scales. In collisionless plasmas, turbulence provides a critical mechanism for dissipating electromagnetic energy. Here, we present observations of plasma fluctuations in low-β turbulence using data from NASA's Magnetospheric Multiscale mission in Earth's magnetosheath. We provide constraints on the partitioning of turbulent energy density in the fluid, ion-kinetic, and electron-kinetic ranges. Magnetic field fluctuations dominated the energy density spectrum throughout the fluid and ion-kinetic ranges, consistent with previous observations of turbulence in similar plasma regimes. However, at scales shorter than the electron inertial length, fluctuation power in electron kinetic energy significantly exceeded that of the magnetic field, resulting in an electron-motion-regulated cascade at small scales. This dominance is highly relevant for the study of turbulence in highly magnetized laboratory and astrophysical plasmas.

  1. Creating Very True Quantum Algorithms for Quantum Energy Based Computing

    Science.gov (United States)

    Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed; Diep, Do Ngoc

    2018-04-01

    An interpretation of quantum mechanics is discussed. It is assumed that quantum is energy. An algorithm by means of the energy interpretation is discussed. An algorithm, based on the energy interpretation, for fast determining a homogeneous linear function f( x) := s. x = s 1 x 1 + s 2 x 2 + ⋯ + s N x N is proposed. Here x = ( x 1, … , x N ), x j ∈ R and the coefficients s = ( s 1, … , s N ), s j ∈ N. Given the interpolation values (f(1), f(2),...,f(N))=ěc {y}, the unknown coefficients s = (s1(ěc {y}),\\dots , sN(ěc {y})) of the linear function shall be determined, simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Our method is based on the generalized Bernstein-Vazirani algorithm to qudit systems. Next, by using M parallel quantum systems, M homogeneous linear functions are determined, simultaneously. The speed of obtaining the set of M homogeneous linear functions is shown to outperform the classical case by a factor of N × M.

  2. Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

    Science.gov (United States)

    Adame, J.; Warzel, S.

    2015-11-01

    In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

  3. Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

    International Nuclear Information System (INIS)

    Adame, J.; Warzel, S.

    2015-01-01

    In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM

  4. Quantum energy teleportation with an electromagnetic field: discrete versus continuous variables

    International Nuclear Information System (INIS)

    Hotta, Masahiro

    2010-01-01

    It is well known that usual quantum teleportation protocols cannot transport energy. Recently, new protocols called quantum energy teleportation (QET) have been proposed, which transport energy by local operations and classical communication with the ground states of many-body quantum systems. In this paper, we compare two different QET protocols for transporting energy with the electromagnetic field. In the first protocol, a 1/2 spin (a qubit) is coupled with the quantum fluctuation in the vacuum state and measured in order to obtain one-bit information about the fluctuation for the teleportation. In the second protocol, a harmonic oscillator is coupled with the fluctuation and measured in order to obtain continuous-variable information about the fluctuation. In the spin protocol, the amount of teleported energy is suppressed by an exponential damping factor when the amount of input energy increases. This suppression factor becomes power damping in the case of the harmonic oscillator protocol. Therefore, it is concluded that obtaining more information about the quantum fluctuation leads to teleporting more energy. This result suggests a profound relationship between energy and quantum information.

  5. Quantum Sensing for High Energy Physics

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Zeeshan; et al.

    2018-03-29

    Report of the first workshop to identify approaches and techniques in the domain of quantum sensing that can be utilized by future High Energy Physics applications to further the scientific goals of High Energy Physics.

  6. Exciton binding energy in a pyramidal quantum dot

    Indian Academy of Sciences (India)

    A ANITHA

    2018-03-27

    Mar 27, 2018 ... screening function on exciton binding energy in a pyramid-shaped quantum dot of ... tures may generate unique properties and they show .... where Ee is the ground-state energy of the electron in ... Figure 1. The geometry of the pyramidal quantum dot. base and H is the height of the pyramid which is taken.

  7. Factorisations for partition functions of random Hermitian matrix models

    International Nuclear Information System (INIS)

    Jackson, D.M.; Visentin, T.I.

    1996-01-01

    The partition function Z N , for Hermitian-complex matrix models can be expressed as an explicit integral over R N , where N is a positive integer. Such an integral also occurs in connection with random surfaces and models of two dimensional quantum gravity. We show that Z N can be expressed as the product of two partition functions, evaluated at translated arguments, for another model, giving an explicit connection between the two models. We also give an alternative computation of the partition function for the φ 4 -model.The approach is an algebraic one and holds for the functions regarded as formal power series in the appropriate ring. (orig.)

  8. Energy partitioning and thyroid hormone levels during Salmonella enteritidis infections in pullets with high or low residual feed intake.

    Science.gov (United States)

    Van Eerden, E; Van Den Brand, H; Heetkamp, M J W; Decuypere, E; Kemp, B

    2006-10-01

    This experiment was conducted to investigate whether feed efficiency, as measured by residual feed intake as a phenotypic trait, affects energy partitioning in pullets that have received Salmonella inoculation as an immune challenge. In each of 8 trials, energy partitioning was measured during 5 wk in 15-wk-old efficient (R-) and nonefficient (R+) pullets, which were housed per efficiency group in 2 identical climate respiration chambers. After 1 wk of adaptation, the pullets in 4 trials were orally inoculated with 10(8) cfu of Salmonella enteritidis; pullets in the remaining trials were not inoculated and served as controls. Heat production was calculated from continuous recordings of O(2) consumption and CO(2) production. Energy and N partitioning were recorded on a weekly basis. Blood samples for analyses on thyroid hormones were taken at 16, 17, and 19 wk of age. There were no interactions between efficiency type and Salmonella treatment or Salmonella treatment effects in energy partitioning, except for a short-term increase in heat production in inoculated pullets. Nonefficient pullets had higher gross energy and ME intake, higher estimated ME for maintenance, lower ME:gross energy ratio, and higher total heat production and nonactivity-related heat production compared with R- pullets. Triiodothyronine levels in R+ pullets were higher at 16 and 17 wk but were lower at 19 wk of age compared with R- pullets. Thyroxine levels were higher in R- at 16 wk and showed interactions between efficiency type and Salmonella treatment at 17 and 19 wk of age. Body weights and spleen weights did not differ between efficiency groups. Nonefficient pullets had higher heart, liver, and ovary weights and more large yellow follicles than R- pullets. There were no Salmonella effects on body and organ weights. We conclude that R+ pullets have a faster running energy metabolism and that they put more resources into organ development than R- pullets. Inoculation with Salmonella has a

  9. Virtual Quantum Subsystems

    International Nuclear Information System (INIS)

    Zanardi, Paolo

    2001-01-01

    The physical resources available to access and manipulate the degrees of freedom of a quantum system define the set A of operationally relevant observables. The algebraic structure of A selects a preferred tensor product structure, i.e., a partition into subsystems. The notion of compoundness for quantum systems is accordingly relativized. Universal control over virtual subsystems can be achieved by using quantum noncommutative holonomies

  10. Production and Energy Partition of Lactating Dairy Goats Fed Rations Containing Date Fruit Waste

    Directory of Open Access Journals (Sweden)

    E. Yuniarti

    2016-04-01

    Full Text Available Dates fruit waste (DFW is a by-product of dates juice industry that contains high energy. So, it is suitable for an energy source in dairy goat ration. This study was conducted to observe the effect of DFW utilization in the ration on energy partition and productivity of lactating dairy goats. The experimental design was randomized block design using 9 primiparous lactating dairy goats. There were three types of ration as treatments used in this study, i.e. R0= 35% forage + 65% concentrate, R1= 35% forage + 55% concentrate + 10% DFW, and R2= 35% forage + 45% concentrate + 20% DFW. Data were analyzed using ANOVA and polynomial orthogonal test. The evaluated variables were dry matter intake (DMI, energy partition including energy intake, digestible and metabolizable energy, fecal and urine energy, energy in methane gas, and energy in milk, milk production and quality. The results showed that the linear decreased of DMI, energy intake, digestible energy, metabolizable energy, and urine energy with the increased of DFW level in the rations. The use of 10% DFW (R1 showed the lowest energy loss through feces and methane gas of all treatments about 1089.57 kcal/head/d and 2.36 kcal/head/d, respectively. The use of DFW did not affect energy retention in milk. The utilization of DFW in ration did not significantly prevent the decline of milk production and milk quality. It can be concluded that DFW can be used as an alternative feed for the lactating dairy goat up to 10% in the ration.

  11. CURRENT SHEET ENERGETICS, FLARE EMISSIONS, AND ENERGY PARTITION IN A SIMULATED SOLAR ERUPTION

    International Nuclear Information System (INIS)

    Reeves, Katharine K.; Linker, Jon A.; Mikic, Zoran; Forbes, Terry G.

    2010-01-01

    We investigate coronal energy flow during a simulated coronal mass ejection (CME). We model the CME in the context of the global corona using a 2.5D numerical MHD code in spherical coordinates that includes coronal heating, thermal conduction, and radiative cooling in the energy equation. The simulation domain extends from 1 to 20 R s . To our knowledge, this is the first attempt to apply detailed energy diagnostics in a flare/CME simulation when these important terms are considered in the context of the MHD equations. We find that the energy conservation properties of the code are quite good, conserving energy to within 4% for the entire simulation (more than 6 days of real time). We examine the energy release in the current sheet as the eruption takes place, and find, as expected, that the Poynting flux is the dominant carrier of energy into the current sheet. However, there is a significant flow of energy out of the sides of the current sheet into the upstream region due to thermal conduction along field lines and viscous drag. This energy outflow is spatially partitioned into three separate components, namely, the energy flux flowing out the sides of the current sheet, the energy flowing out the lower tip of the current sheet, and the energy flowing out the upper tip of the current sheet. The energy flow through the lower tip of the current sheet is the energy available for heating of the flare loops. We examine the simulated flare emissions and energetics due to the modeled CME and find reasonable agreement with flare loop morphologies and energy partitioning in observed solar eruptions. The simulation also provides an explanation for coronal dimming during eruptions and predicts that the structures surrounding the current sheet are visible in X-ray observations.

  12. Post-transition state dynamics and product energy partitioning following thermal excitation of the F∙∙∙HCH2 CN transition state: Disagreement with experiment

    Energy Technology Data Exchange (ETDEWEB)

    Pratihar, Subha [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ma, Xinyou [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Xie, Jing [Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA; Scott, Rebecca [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Gao, Eric [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ruscic, Branko [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA; Aquino, Adelia J. A. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, People’s Republic of China; Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Setser, Donald W. [Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Hase, William L. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA

    2017-10-14

    Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. In accord with experiment and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F-HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST for the simulation. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN-HF post-reaction potential energy well of ~10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed, with the majority involving direct dissociation and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. From the simulations and with an anharmonic zero-point energy constraint, the percentage partitioning of the product energy to relative translation, HF rotation, HF vibration, CH2CN rotation and CH2CN vibration is 5, 11, 60, 7, and 16%, respectively. In contrast the experimental energy partitioning percentages to HF rotation and vibration are 6 and 41%. Comparisons are made between the current simulation and those for other F + H

  13. Partitioning of late gestation energy expenditure in ewes using indirect calorimetry and a linear regression approach

    DEFF Research Database (Denmark)

    Kiani, Alishir; Chwalibog, André; Nielsen, Mette O

    2007-01-01

    Late gestation energy expenditure (EE(gest)) originates from energy expenditure (EE) of development of conceptus (EE(conceptus)) and EE of homeorhetic adaptation of metabolism (EE(homeorhetic)). Even though EE(gest) is relatively easy to quantify, its partitioning is problematic. In the present...... study metabolizable energy (ME) intake ranges for twin-bearing ewes were 220-440, 350- 700, 350-900 kJ per metabolic body weight (W0.75) at week seven, five, two pre-partum respectively. Indirect calorimetry and a linear regression approach were used to quantify EE(gest) and then partition to EE......(conceptus) and EE(homeorhetic). Energy expenditure of basal metabolism of the non-gravid tissues (EE(bmng)), derived from the intercept of the linear regression equation of retained energy [kJ/W0.75] and ME intake [kJ/W(0.75)], was 298 [kJ/ W0.75]. Values of the intercepts of the regression equations at week seven...

  14. Discord as a quantum resource for bi-partite communication

    International Nuclear Information System (INIS)

    Chrzanowski, Helen M.; Assad, Syed M.; Symul, Thomas; Lam, Ping Koy; Gu, Mile; Modi, Kavan; Vedral, Vlatko; Ralph, Timothy C.

    2014-01-01

    Coherent interactions that generate negligible entanglement can still exhibit unique quantum behaviour. This observation has motivated a search beyond entanglement for a complete description of all quantum correlations. Quantum discord is a promising candidate. Here, we experimentally demonstrate that under certain measurement constraints, discord between bipartite systems can be consumed to encode information that can only be accessed by coherent quantum interactions. The inability to access this information by any other means allows us to use discord to directly quantify this ‘quantum advantage’

  15. Controlling bi-partite entanglement in multi-qubit systems

    International Nuclear Information System (INIS)

    Plesch, Martin; Novotny, Jaroslav; Dzurakova, Zuzana; Buzek, VladimIr

    2004-01-01

    Bi-partite entanglement in multi-qubit systems cannot be shared freely. The rules of quantum mechanics impose bounds on how multi-qubit systems can be correlated. In this paper, we utilize a concept of entangled graphs with weighted edges in order to analyse pure quantum states of multi-qubit systems. Here qubits are represented by vertexes of the graph, while the presence of bi-partite entanglement is represented by an edge between corresponding vertexes. The weight of each edge is defined to be the entanglement between the two qubits connected by the edge, as measured by the concurrence. We prove that each entangled graph with entanglement bounded by a specific value of the concurrence can be represented by a pure multi-qubit state. In addition, we present a logic network with O(N 2 ) elementary gates that can be used for preparation of the weighted entangled graphs of N qubits

  16. Controlling bi-partite entanglement in multi-qubit systems

    Science.gov (United States)

    Plesch, Martin; Novotný, Jaroslav; Dzuráková, Zuzana; Buzek, Vladimír

    2004-02-01

    Bi-partite entanglement in multi-qubit systems cannot be shared freely. The rules of quantum mechanics impose bounds on how multi-qubit systems can be correlated. In this paper, we utilize a concept of entangled graphs with weighted edges in order to analyse pure quantum states of multi-qubit systems. Here qubits are represented by vertexes of the graph, while the presence of bi-partite entanglement is represented by an edge between corresponding vertexes. The weight of each edge is defined to be the entanglement between the two qubits connected by the edge, as measured by the concurrence. We prove that each entangled graph with entanglement bounded by a specific value of the concurrence can be represented by a pure multi-qubit state. In addition, we present a logic network with O(N2) elementary gates that can be used for preparation of the weighted entangled graphs of N qubits.

  17. The evaporative fraction as a measure of surface energy partitioning

    Energy Technology Data Exchange (ETDEWEB)

    Nichols, W.E. [Pacific Northwest Lab., Richland, WA (United States); Cuenca, R.H. [Oregon State Univ., Corvallis, OR (United States)

    1990-12-31

    The evaporative fraction is a ratio that expresses the proportion of turbulent flux energy over land surfaces devoted to evaporation and transpiration (evapotranspiration). It has been used to characterize the energy partition over land surfaces and has potential for inferring daily energy balance information based on mid-day remote sensing measurements. The HAPEX-MOBILHY program`s SAMER system provided surface energy balance data over a range of agricultural crops and soil types. The databases from this large-scale field experiment was analyzed for the purpose of studying the behavior and daylight stability of the evaporative fraction in both ideal and general meteorological conditions. Strong linear relations were found to exist between the mid-day evaporative fraction and the daylight mean evaporative fraction. Statistical tests however rejected the hypothesis that the two quantities were equal. The relations between the evaporative fraction and the surface soil moisture as well as soil moisture in the complete vegetation root zone were also explored.

  18. The evaporative fraction as a measure of surface energy partitioning

    Energy Technology Data Exchange (ETDEWEB)

    Nichols, W.E. (Pacific Northwest Lab., Richland, WA (United States)); Cuenca, R.H. (Oregon State Univ., Corvallis, OR (United States))

    1990-01-01

    The evaporative fraction is a ratio that expresses the proportion of turbulent flux energy over land surfaces devoted to evaporation and transpiration (evapotranspiration). It has been used to characterize the energy partition over land surfaces and has potential for inferring daily energy balance information based on mid-day remote sensing measurements. The HAPEX-MOBILHY program's SAMER system provided surface energy balance data over a range of agricultural crops and soil types. The databases from this large-scale field experiment was analyzed for the purpose of studying the behavior and daylight stability of the evaporative fraction in both ideal and general meteorological conditions. Strong linear relations were found to exist between the mid-day evaporative fraction and the daylight mean evaporative fraction. Statistical tests however rejected the hypothesis that the two quantities were equal. The relations between the evaporative fraction and the surface soil moisture as well as soil moisture in the complete vegetation root zone were also explored.

  19. Element partitioning in combustion- and gasification-based waste-to-energy units

    International Nuclear Information System (INIS)

    Arena, Umberto; Di Gregorio, Fabrizio

    2013-01-01

    Highlights: ► Element partitioning of waste-to-energy units by means of a substance flow analysis. ► A comparison between moving grate combustors and high temperature gasifiers. ► Classification of key elements according to their behavior during WtE processes. ► Slags and metals from waste gasifiers are completely and immediately recyclable. ► Potential reduction of amounts of solid residue to be sent to landfill disposal. - Abstract: A critical comparison between combustion- and gasification-based waste-to-energy systems needs a deep knowledge of the mass flows of materials and elements inside and throughout the units. The study collected and processed data from several moving grate conventional incinerators and high-temperature shaft gasifiers with direct melting, which are in operation worldwide. A material and substance flow analysis was then developed to systematically assess the flows and stocks of materials and elements within each waste-to-energy unit, by connecting the sources, pathways, and intermediate and final sinks of each species. The patterns of key elements, such as carbon, chloride and heavy metals, in the different solid and gaseous output streams of the two compared processes have been then defined. The combination of partitioning coefficients with the mass balances on atomic species and results of mineralogical characterization from recent literatures was used to estimate a composition of bottom ashes and slags from the two types of waste-to-energy technologies. The results also allow to quantify some of the performance parameters of the units and, in particular, the potential reduction of the amount of solid residues to be sent to final disposal

  20. The Quantum Focussing Conjecture and Quantum Null Energy Condition

    Science.gov (United States)

    Koeller, Jason

    Evidence has been gathering over the decades that spacetime and gravity are best understood as emergent phenomenon, especially in the context of a unified description of quantum mechanics and gravity. The Quantum Focussing Conjecture (QFC) and Quantum Null Energy Condition (QNEC) are two recently-proposed relationships between entropy and geometry, and energy and entropy, respectively, which further strengthen this idea. In this thesis, we study the QFC and the QNEC. We prove the QNEC in a variety of contexts, including free field theories on Killing horizons, holographic theories on Killing horizons, and in more general curved spacetimes. We also consider the implications of the QFC and QNEC in asymptotically flat space, where they constrain the information content of gravitational radiation arriving at null infinity, and in AdS/CFT, where they are related to other semiclassical inequalities and properties of boundary-anchored extremal area surfaces. It is shown that the assumption of validity and vacuum-state saturation of the QNEC for regions of flat space defined by smooth cuts of null planes implies a local formula for the modular Hamiltonian of these regions. We also demonstrate that the QFC as originally conjectured can be violated in generic theories in d ≥ 5, which led the way to an improved formulation subsequently suggested by Stefan Leichenauer.

  1. Genus two partition functions of extremal conformal field theories

    International Nuclear Information System (INIS)

    Gaiotto, Davide; Yin Xi

    2007-01-01

    Recently Witten conjectured the existence of a family of 'extremal' conformal field theories (ECFTs) of central charge c = 24k, which are supposed to be dual to three-dimensional pure quantum gravity in AdS 3 . Assuming their existence, we determine explicitly the genus two partition functions of k = 2 and k = 3 ECFTs, using modular invariance and the behavior of the partition function in degenerating limits of the Riemann surface. The result passes highly nontrivial tests and in particular provides a piece of evidence for the existence of the k = 3 ECFT. We also argue that the genus two partition function of ECFTs with k ≤ 10 are uniquely fixed (if they exist)

  2. Modeling experiments using quantum and Kolmogorov probability

    International Nuclear Information System (INIS)

    Hess, Karl

    2008-01-01

    Criteria are presented that permit a straightforward partition of experiments into sets that can be modeled using both quantum probability and the classical probability framework of Kolmogorov. These new criteria concentrate on the operational aspects of the experiments and lead beyond the commonly appreciated partition by relating experiments to commuting and non-commuting quantum operators as well as non-entangled and entangled wavefunctions. In other words the space of experiments that can be understood using classical probability is larger than usually assumed. This knowledge provides advantages for areas such as nanoscience and engineering or quantum computation.

  3. Enhancing non-local correlations in the bipartite partitions of two qubit-system with non-mutual interaction

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, A.-B.A., E-mail: abdelbastm@yahoo.com [College of Sciences and Humanities, Prince Sattam Bin Abdulaziz University, Al-Aflaj (Saudi Arabia); Faculty of Science, Assiut University, Assiut (Egypt); Joshi, A., E-mail: mcbamji@gmail.com [Physics Department, Adelphi University Garden City, NY 11530 (United States); Department of Physics and Optical Engineering, RHIT, Terra Haute IN 47803 (United States); Hassan, S.S., E-mail: shoukryhassan@hotmail.com [Department of Mathematics, College of Science, University of Bahrain, P.O. Box 32038 (Bahrain)

    2016-03-15

    Several quantum-mechanical correlations, notably, quantum entanglement, measurement-induced nonlocality and Bell nonlocality are studied for a two qubit-system having no mutual interaction. Analytical expressions for the measures of these quantum-mechanical correlations of different bipartite partitions of the system are obtained, for initially two entangled qubits and the two photons are in their vacuum states. It is found that the qubits-fields interaction leads to the loss and gain of the initial quantum correlations. The lost initial quantum correlations transfer from the qubits to the cavity fields. It is found that the maximal violation of Bell’s inequality is occurring when the quantum correlations of both the logarithmic negativity and measurement-induced nonlocality reach particular values. The maximal violation of Bell’s inequality occurs only for certain bipartite partitions of the system. The frequency detuning leads to quick oscillations of the quantum correlations and inhibits their transfer from the qubits to the cavity modes. It is also found that the dynamical behavior of the quantum correlation clearly depends on the qubit distribution angle.

  4. Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

    Directory of Open Access Journals (Sweden)

    C. Wang

    2017-06-01

    Full Text Available Gas–particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA. The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas–organic and gas–aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC, and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas–organic phase partitioning coefficients (KWIOM/G by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas–aqueous partitioning (KW/G are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

  5. Nucleon exchange and heat partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

    International Nuclear Information System (INIS)

    Planeta, R.

    1990-01-01

    This paper reports that one of the distinctive features of damped heavy-ion reactions is the rapid conversion of relative kinetic energy into heat during the lifetime of the dinuclear system formed in the collision. Of particular interest in this regard are the questions: how heat, or excitation energy, is partitioned between the reaction partners; how heat partition depends on nucleon transfer. Damped collisions at energies near or just above the barrier have been generally interpreted in terms of transport models which account for energy dissipation in terms of nucleon exchange between the projectile-like (PLF) and target-like fragments. Thus, in this context statistical nucleon exchange is the mechanism for heating of the system. Transport model calculation have met considerable success in accounting for the major features of damped collisions, for example, energy dissipation and angular distributions. Nonetheless, many important uncertainties remain

  6. Bohm's quantum potential as an internal energy

    Energy Technology Data Exchange (ETDEWEB)

    Dennis, Glen, E-mail: gdennis502@gmail.com [TPRU, Birkbeck College, University of London, London, WC1E 7HX (United Kingdom); Gosson, Maurice A. de, E-mail: maurice.de.gosson@univie.ac.at [University of Vienna, Faculty of Mathematics, NuHAG, Oskar-Morgenstern-Platz 1, 1090 Vienna (Austria); Hiley, Basil J., E-mail: b.hiley@bbk.ac.uk [TPRU, Birkbeck College, University of London, London, WC1E 7HX (United Kingdom)

    2015-06-26

    Highlights: • The quantum potential is seen as internal energy associated with a phase space region. • Fermi's trick shows that Bohm's particle is an extended structure in phase space. • We associate Bohm's quantum potential with a context-dependent energy redistribution. • A physically motivated derivation of Schrodinger's equation is provided. • We show the Fermi set associated with a 3-D coherent state contains a quantum blob. - Abstract: We pursue our discussion of Fermi's surface initiated by Dennis, de Gosson and Hiley and show that Bohm's quantum potential can be viewed as an internal energy of a quantum system, giving further insight into its role in stationary states. This implies that the ‘particle’ referred to in Bohm's theory is not a classical point-like object but rather has an extended structure in phase space which can be linked to the notion of a symplectic capacity, a topological feature of the underlying symplectic geometry. This structure provides us with a new, physically motivated derivation of Schrödinger's equation provided we interpret Gleason's theorem as a derivation of the Born rule from fundamental assumptions about quantum probabilities.

  7. Fault Gauge Numerical Simulation : Dynamic Rupture Propagation and Local Energy Partitioning

    Science.gov (United States)

    Mollon, G.

    2017-12-01

    In this communication, we present dynamic simulations of the local (centimetric) behaviour of a fault filled with a granular gauge submitted to dynamic rupture. The numerical tool (Fig. 1) combines classical Discrete Element Modelling (albeit with the ability to deal with arbitrary grain shapes) for the simualtion of the gauge, and continuous modelling for the simulation of the acoustic waves emission and propagation. In a first part, the model is applied to the simulation of steady-state shearing of the fault under remote displacement boudary conditions, in order to observe the shear accomodation at the interface (R1 cracks, localization, wear, etc.). It also makes it possible to fit to desired values the Rate and State Friction properties of the granular gauge by adapting the contact laws between grains. Such simulations provide quantitative insight in the steady-state energy partitionning between fracture, friction and acoustic emissions as a function of the shear rate. In a second part, the model is submitted to dynamic rupture. For that purpose, the fault is elastically preloaded just below rupture, and a displacement pulse is applied at one end of the sample (and on only one side of the fault). This allows to observe the propagation of the instability along the fault and the interplay between this propagation and the local granular phenomena. Energy partitionning is then observed both in space and time.

  8. Quantum trajectory analysis of multimode subsystem-bath dynamics.

    Science.gov (United States)

    Wyatt, Robert E; Na, Kyungsun

    2002-01-01

    The dynamics of a swarm of quantum trajectories is investigated for systems involving the interaction of an active mode (the subsystem) with an M-mode harmonic reservoir (the bath). Equations of motion for the position, velocity, and action function for elements of the probability fluid are integrated in the Lagrangian (moving with the fluid) picture of quantum hydrodynamics. These fluid elements are coupled through the Bohm quantum potential and as a result evolve as a correlated ensemble. Wave function synthesis along the trajectories permits an exact description of the quantum dynamics for the evolving probability fluid. The approach is fully quantum mechanical and does not involve classical or semiclassical approximations. Computational results are presented for three systems involving the interaction on an active mode with M=1, 10, and 15 bath modes. These results include configuration space trajectory evolution, flux analysis of the evolving ensemble, wave function synthesis along trajectories, and energy partitioning along specific trajectories. These results demonstrate the feasibility of using a small number of quantum trajectories to obtain accurate quantum results on some types of open quantum systems that are not amenable to standard quantum approaches involving basis set expansions or Eulerian space-fixed grids.

  9. Entanglement between particle partitions in itinerant many-particle states

    NARCIS (Netherlands)

    Haque, M.; Zozulya, O.S.; Schoutens, K.

    2009-01-01

    We review 'particle-partitioning entanglement' for itinerant many-particle systems. This is defined as the entanglement between two subsets of particles making up the system. We identify generic features and mechanisms of particle entanglement that are valid over whole classes of itinerant quantum

  10. One-loop partition functions of 3D gravity

    International Nuclear Information System (INIS)

    Giombi, Simone; Yin Xi; Maloney, Alexander

    2008-01-01

    We consider the one-loop partition function of free quantum field theory in locally Anti-de Sitter space-times. In three dimensions, the one loop determinants for scalar, gauge and graviton excitations are computed explicitly using heat kernel techniques. We obtain precisely the result anticipated by Brown and Henneaux: the partition function includes a sum over 'boundary excitations' of AdS 3 , which are the Virasoro descendants of empty Anti-de Sitter space. This result also allows us to compute the one-loop corrections to the Euclidean action of the BTZ black hole as well its higher genus generalizations.

  11. Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

    Science.gov (United States)

    Krogel, Jaron T.; Reboredo, Fernando A.

    2018-01-01

    Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this work, we explore alternatives to reduce the memory usage of splined orbitals without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. For production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.

  12. Conservation of topological quantum numbers in energy bands

    International Nuclear Information System (INIS)

    Chang, L.N.; Liang, Y.

    1988-01-01

    Quantum systems described by parametrized Hamiltinians are studied in a general context. Within this context, the classification scheme of Avron-Seiler-Simon for non-degenerate energy bands is extended to cover general parameter spaces, whole their sum rule is generalized to cover cases with degenerate bands as well. Additive topological quantum numbers are defined, and these are shown to be conserved in energy band ''collisions''. The conservation laws dictate that when some invariants are non-vanishing, no energy gap can develop in a set of degenerate bands. This gives rise to a series of splitting rules

  13. Approximation methods for the partition functions of anharmonic systems

    International Nuclear Information System (INIS)

    Lew, P.; Ishida, T.

    1979-07-01

    The analytical approximations for the classical, quantum mechanical and reduced partition functions of the diatomic molecule oscillating internally under the influence of the Morse potential have been derived and their convergences have been tested numerically. This successful analytical method is used in the treatment of anharmonic systems. Using Schwinger perturbation method in the framework of second quantization formulism, the reduced partition function of polyatomic systems can be put into an expression which consists separately of contributions from the harmonic terms, Morse potential correction terms and interaction terms due to the off-diagonal potential coefficients. The calculated results of the reduced partition function from the approximation method on the 2-D and 3-D model systems agree well with the numerical exact calculations

  14. The energy-level crossing behavior and quantum Fisher information in a quantum well with spin-orbit coupling

    Science.gov (United States)

    Wang, Z. H.; Zheng, Q.; Wang, Xiaoguang; Li, Yong

    2016-03-01

    We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given.

  15. Quantum mechanical theory behind "dark energy"?

    CERN Multimedia

    Colin Johnson, R

    2007-01-01

    "The mysterious increase in the acceleration of the universe, when intuition says it should be slowing down, is postulated to be caused by dark energy - "dark" because it is undetected. Now a group of scientists in the international collaboration Essence has suggested that a quantum mechanical interpretation of Einstein's proposed "cosmological constant" is the simplest explanation for dark energy. The group measured dark energy to within 10 percent." (1,5 page)

  16. Imaging and Manipulating Energy Transfer Among Quantum Dots at Individual Dot Resolution.

    Science.gov (United States)

    Nguyen, Duc; Nguyen, Huy A; Lyding, Joseph W; Gruebele, Martin

    2017-06-27

    Many processes of interest in quantum dots involve charge or energy transfer from one dot to another. Energy transfer in films of quantum dots as well as between linked quantum dots has been demonstrated by luminescence shift, and the ultrafast time-dependence of energy transfer processes has been resolved. Bandgap variation among dots (energy disorder) and dot separation are known to play an important role in how energy diffuses. Thus, it would be very useful if energy transfer could be visualized directly on a dot-by-dot basis among small clusters or within films of quantum dots. To that effect, we report single molecule optical absorption detected by scanning tunneling microscopy (SMA-STM) to image energy pooling from donor into acceptor dots on a dot-by-dot basis. We show that we can manipulate groups of quantum dots by pruning away the dominant acceptor dot, and switching the energy transfer path to a different acceptor dot. Our experimental data agrees well with a simple Monte Carlo lattice model of energy transfer, similar to models in the literature, in which excitation energy is transferred preferentially from dots with a larger bandgap to dots with a smaller bandgap.

  17. Time as a Quantum Observable, Canonically Conjugated to Energy, and Foundations of Self-Consistent Time Analysis of Quantum Processes

    Directory of Open Access Journals (Sweden)

    V. S. Olkhovsky

    2009-01-01

    Full Text Available Recent developments are reviewed and some new results are presented in the study of time in quantum mechanics and quantum electrodynamics as an observable, canonically conjugate to energy. This paper deals with the maximal Hermitian (but nonself-adjoint operator for time which appears in nonrelativistic quantum mechanics and in quantum electrodynamics for systems with continuous energy spectra and also, briefly, with the four-momentum and four-position operators, for relativistic spin-zero particles. Two measures of averaging over time and connection between them are analyzed. The results of the study of time as a quantum observable in the cases of the discrete energy spectra are also presented, and in this case the quasi-self-adjoint time operator appears. Then, the general foundations of time analysis of quantum processes (collisions and decays are developed on the base of time operator with the proper measures of averaging over time. Finally, some applications of time analysis of quantum processes (concretely, tunneling phenomena and nuclear processes are reviewed.

  18. New Linear Partitioning Models Based on Experimental Water: Supercritical CO2 Partitioning Data of Selected Organic Compounds.

    Science.gov (United States)

    Burant, Aniela; Thompson, Christopher; Lowry, Gregory V; Karamalidis, Athanasios K

    2016-05-17

    Partitioning coefficients of organic compounds between water and supercritical CO2 (sc-CO2) are necessary to assess the risk of migration of these chemicals from subsurface CO2 storage sites. Despite the large number of potential organic contaminants, the current data set of published water-sc-CO2 partitioning coefficients is very limited. Here, the partitioning coefficients of thiophene, pyrrole, and anisole were measured in situ over a range of temperatures and pressures using a novel pressurized batch-reactor system with dual spectroscopic detectors: a near-infrared spectrometer for measuring the organic analyte in the CO2 phase and a UV detector for quantifying the analyte in the aqueous phase. Our measured partitioning coefficients followed expected trends based on volatility and aqueous solubility. The partitioning coefficients and literature data were then used to update a published poly parameter linear free-energy relationship and to develop five new linear free-energy relationships for predicting water-sc-CO2 partitioning coefficients. A total of four of the models targeted a single class of organic compounds. Unlike models that utilize Abraham solvation parameters, the new relationships use vapor pressure and aqueous solubility of the organic compound at 25 °C and CO2 density to predict partitioning coefficients over a range of temperature and pressure conditions. The compound class models provide better estimates of partitioning behavior for compounds in that class than does the model built for the entire data set.

  19. Partitioning a macroscopic system into independent subsystems

    Science.gov (United States)

    Delle Site, Luigi; Ciccotti, Giovanni; Hartmann, Carsten

    2017-08-01

    We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several fields of theoretical and applied physics. The thermodynamic approach currently favoured by practitioners is based on a phenomenological definition of an interface energy associated with the partition, due to a lack of easily computable expressions for a microscopic (i.e. particle-based) interface energy. In this article, we outline a general approach to derive sharp and computable bounds for the interface free energy in terms of microscopic statistical quantities. We discuss potential applications in nanothermodynamics and outline possible future directions.

  20. Study of energy partitioning using a set of related explosive formulations

    Science.gov (United States)

    Lieber, Mark; Foster, Joseph C.; Stewart, D. Scott

    2012-03-01

    Condensed phase high explosives convert potential energy stored in the electro-magnetic field structure of complex molecules to high power output during the detonation process. Historically, the explosive design problem has focused on intramolecular energy storage. The molecules of interest are derived via molecular synthesis providing near stoichiometric balance on the physical scale of the molecule. This approach provides prompt reactions based on transport physics at the molecular scale. Modern material design has evolved to approaches that employ intermolecular ingredients to alter the spatial and temporal distribution of energy release. State of the art continuum methods have been used to study this approach to the materials design. Cheetah has been used to produce data for a set of fictitious explosive formulations based on C-4 to study the partitioning of the available energy between internal and kinetic energy in the detonation. The equation of state information from Cheetah has been used in ALE3D to develop an understanding of the relationship between variations in the formulation parameters and the internal energy cycle in the products.

  1. Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

    Science.gov (United States)

    Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

    2013-08-15

    Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

  2. Quantum Statistics of the Toda Oscillator in the Wigner Function Formalism

    Science.gov (United States)

    Vojta, Günter; Vojta, Matthias

    Classical and quantum mechanical Toda systems (Toda molecules, Toda lattices, Toda quantum fields) recently found growing interest as nonlinear systems showing solitons and chaos. In this paper the statistical thermodynamics of a system of quantum mechanical Toda oscillators characterized by a potential energy V(q) = Vo cos h q is treated within the Wigner function formalism (phase space formalism of quantum statistics). The partition function is given as a Wigner- Kirkwood series expansion in terms of powers of h2 (semiclassical expansion). The partition function and all thermodynamic functions are written, with considerable exactness, as simple closed expressions containing only the modified Hankel functions Ko and K1 of the purely imaginary argument i with = Vo/kT.Translated AbstractQuantenstatistik des Toda-Oszillators im Formalismus der Wigner-FunktionKlassische und quantenmechanische Toda-Systeme (Toda-Moleküle, Toda-Gitter, Toda-Quantenfelder) haben als nichtlineare Systeme mit Solitonen und Chaos in jüngster Zeit zunehmend an Interesse gewonnen. Wir untersuchen die statistische Thermodynamik eines Systems quantenmechanischer Toda-Oszillatoren, die durch eine potentielle Energie der Form V(q) = Vo cos h q charakterisiert sind, im Formalismus der Wigner-Funktion (Phasenraum-Formalismus der Quantenstatistik). Die Zustandssumme wird als Wigner-Kirkwood-Reihe nach Potenzen von h2 (semiklassische Entwicklung) dargestellt, und aus ihr werden die thermodynamischen Funktionen berechnet. Sämtliche Funktionen sind durch einfache geschlossene Formeln allein mit den modifizierten Hankel-Funktionen Ko und K1 des rein imaginären Arguments i mit = Vo/kT mit großer Genauigkeit darzustellen.

  3. Partitioning of elastic energy in open-cell foams under finite deformations

    International Nuclear Information System (INIS)

    Harb, Rani; Taciroglu, Ertugrul; Ghoniem, Nasr

    2013-01-01

    The challenges associated with the computational modeling and simulation of solid foams are threefold—namely, the proper representation of an intricate geometry, the capability to accurately describe large deformations, and the extremely arduous numerical detection and enforcement of self-contact during crushing. The focus of this study is to assess and accurately quantify the effects of geometric nonlinearities (i.e. finite deformations, work produced under buckling-type motions) on the predicted mechanical response of open-cell foams of aluminum and polyurethane prior to the onset of plasticity and contact. Beam elements endowed with three-dimensional finite deformation kinematics are used to represent the foam ligaments. Ligament cross-sections are discretized through a fiber-based formulation that provides accurate information regarding the onset of plasticity, given the uniaxial yield stress–strain data for the bulk material. It is shown that the (hyper-) elastic energy partition within ligaments is significantly influenced by kinematic nonlinearities, which frequently cause strong coupling between the axial, bending, shear and torsional deformation modes. This deformation mode-coupling is uniquely obtained as a result of evaluating equilibrium in the deformed configuration, and is undetectable when small deformations are assumed. The relationship between the foam topology and energy partitioning at various stages of moderate deformation is also investigated. Coupled deformation modes are shown to play an important role, especially in perturbed Kelvin structures where over 70% of the energy is stored in coupled axial-shear and axial-bending modes. The results from this study indicate that it may not always be possible to accurately simulate the onset of plasticity (and the response beyond this regime) if finite deformation kinematics are neglected

  4. Zero-point energy in early quantum theory

    International Nuclear Information System (INIS)

    Milonni, P.W.; Shih, M.-L.

    1991-01-01

    In modern physics the vacuum is not a tranquil void but a quantum state with fluctuations having observable consequences. The present concept of the vacuum has its roots in the zero-point energy of harmonic oscillators and the electromagnetic field, and arose before the development of the formalism of quantum mechanics. This article discusses these roots in the blackbody research of Planck and Einstein in 1912--1913, and the relation to Bose--Einstein statistics and the first indication of wave--particle duality uncovered by Einstein's fluctuation formula. Also considered are the Einstein--Stern theory of specific heats, which invoked zero-point energy in a way which turned out to be incorrect, and the experimental implications of zero-point energy recognized by Mulliken and Debye in vibrational spectroscopy and x-ray diffraction

  5. Exciton shelves for charge and energy transport in third-generation quantum-dot devices

    Science.gov (United States)

    Goodman, Samuel; Singh, Vivek; Noh, Hyunwoo; Casamada, Josep; Chatterjee, Anushree; Cha, Jennifer; Nagpal, Prashant

    2014-03-01

    Quantum dots are semiconductor nanocrystallites with size-dependent quantum-confined energy levels. While they have been intensively investigated to utilize hot-carriers for photovoltaic applications, to bridge the mismatch between incident solar photons and finite bandgap of semiconductor photocells, efficient charge or exciton transport in quantum-dot films has proven challenging. Here we show development of new coupled conjugated molecular wires with ``exciton shelves'', or different energy levels, matched with the multiple energy levels of quantum dots. Using single nanoparticle and ensemble device measurements we show successful extraction and transport of both bandedge and high-energy charge carriers, and energy transport of excitons. We demonstrate using measurements of electronic density of states, that careful matching of energy states of quantum-dot with molecular wires is important, and any mismatch can generate midgap states leading to charge recombination and reduced efficiency. Therefore, these exciton-shelves and quantum dots can lead to development of next-generation photovoltaic and photodetection devices using simultaneous transport of bandedge and hot-carriers or energy transport of excitons in these nanostructured solution-processed films.

  6. On the partition function of d+1 dimensional kink-bearing systems

    International Nuclear Information System (INIS)

    Radosz, A.; Salejda, W.

    1987-01-01

    It is suggested that the problem of finding a partition function of d+1 dimensional kink-bearing system in the classical approximation may be formulated as an eigenvalue problem of an appropriate d dimensional quantum

  7. Quantum vacuum energy in graphs and billiards

    International Nuclear Information System (INIS)

    Kaplan, L.

    2010-01-01

    The vacuum (Casimir) energy in quantum field theory is a problem relevant both to new nanotechnology devices and to dark energy in cosmology. The crucial question is the dependence of the energy on the system geometry. Despite much progress since the first prediction of the Casimir effect in 1948 and its subsequent experimental verification in simple geometries, even the sign of the force in nontrivial situations is still a matter of controversy. Mathematically, vacuum energy fits squarely into the spectral theory of second-order self-adjoint elliptic linear differential operators. Specifically one promising approach is based on the small-t asymptotics of the cylinder kernel e -t√(H) , where H is the self-adjoint operator under study. In contrast with the well-studied heat kernel e -tH , the cylinder kernel depends in a non-local way on the geometry of the problem. We discuss some results by the Louisiana-Oklahoma-Texas collaboration on vacuum energy in model systems, including quantum graphs and two-dimensional cavities. The results may shed light on general questions, including the relationship between vacuum energy and periodic or closed classical orbits, and the contribution to vacuum energy of boundaries, edges, and corners.

  8. A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon.

    Science.gov (United States)

    Kipka, Undine; Di Toro, Dominic M

    2011-09-01

    Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (K(DOC)) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating K(DOC) to the octanol-water partition coefficient (K(OW)) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse K(DOC) data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log K(DOC) with a root mean square error of 0.43. Copyright © 2011 SETAC.

  9. Dynamics of vacuum-sealed, double-leaf partitions

    Science.gov (United States)

    Kavanaugh, Joshua Stephen

    The goal of this research is to investigate the feasibility and potential effectiveness of using vacuum-sealed, double-leaf partitions for applications in noise control. Substantial work has been done previously on double-leaf partitions where the acoustics of the inner chamber and mechanical vibrations of structural supports are passively and actively controlled. The work presented here is unique in that the proposed system aims to eliminate the need for active acoustic control of transmitted acoustic energy by removing all the air between the two panels of the double partition. Therefore, the only remaining energy paths would be along the boundary and at the points where there are intermediate structural supports connecting the two panels. The eventual goal of the research is to develop a high-loss double-leaf partition that simplifies active control by removing the need for control of the air cavity and channeling all the energy into discrete structural paths. The work presented here is a first step towards the goal of designing a high-loss, actively-controlled double-leaf partition with an air-evacuated inner chamber. One experiment is conducted to investigate the effects of various levels of vacuum on the response of a double-leaf partition whose panels are mechanically coupled only at the boundary. Another experiment is conducted which investigates the effect of changing the stiffness of an intermediate support coupling the two panels of a double-leaf partition in which a vacuum has been applied to the inner cavity. The available equipment was able to maintain a 99% vacuum between the panels. Both experiments are accompanied by analytical models used to investigate the importance of various dynamic parameters. Results show that the vacuum-sealed system shows some potential for increased transmission loss, primarily by the changing the natural frequencies of the double-leaf partition.

  10. ELECTRON ENERGY PARTITION IN THE ABOVE-THE-LOOPTOP SOLAR HARD X-RAY SOURCES

    Energy Technology Data Exchange (ETDEWEB)

    Oka, Mitsuo; Krucker, Säm; Hudson, Hugh S.; Saint-Hilaire, Pascal, E-mail: moka@ssl.berkeley.edu [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States)

    2015-02-01

    Solar flares produce non-thermal electrons with energies up to tens of MeVs. To understand the origin of energetic electrons, coronal hard X-ray (HXR) sources, in particular above-the-looptop sources, have been studied extensively. However, it still remains unclear how energies are partitioned between thermal and non-thermal electrons within the above-the-looptop source. Here we show that the kappa distribution, when compared to conventional spectral models, can better characterize the above-the-looptop HXRs (≳15 keV) observed in four different cases. The widely used conventional model (i.e., the combined thermal plus power-law distribution) can also fit the data, but it returns unreasonable parameter values due to a non-physical sharp lower-energy cutoff E{sub c}. In two cases, extreme-ultraviolet data were available from SDO/AIA and the kappa distribution was still consistent with the analysis of differential emission measure. Based on the kappa distribution model, we found that the 2012 July 19 flare showed the largest non-thermal fraction of electron energies about 50%, suggesting equipartition of energies. Considering the results of particle-in-cell simulations, as well as density estimates of the four cases studied, we propose a scenario in which electron acceleration is achieved primarily by collisionless magnetic reconnection, but the electron energy partition in the above-the-looptop source depends on the source density. In low-density above-the-looptop regions (few times 10{sup 9} cm{sup –3}), the enhanced non-thermal tail can remain and a prominent HXR source is created, whereas in higher-densities (>10{sup 10} cm{sup –3}), the non-thermal tail is suppressed or thermalized by Coulomb collisions.

  11. Influence of Superconducting Leads Energy Gap on Electron Transport Through Double Quantum Dot by Markovian Quantum Master Equation Approach

    International Nuclear Information System (INIS)

    Afsaneh, E.; Yavari, H.

    2014-01-01

    The superconducting reservoir effect on the current carrying transport of a double quantum dot in Markovian regime is investigated. For this purpose, a quantum master equation at finite temperature is derived for the many-body density matrix of an open quantum system. The dynamics and the steady-state properties of the double quantum dot system for arbitrary bias are studied. We will show that how the populations and coherencies of the system states are affected by superconducting leads. The energy parameter of system contains essentially four contributions due to dots system-electrodes coupling, intra dot coupling, two quantum dots inter coupling and superconducting gap. The coupling effect of each energy contribution is applied to currents and coherencies results. In addition, the effect of energy gap is studied by considering the amplitude and lifetime of coherencies to get more current through the system. (author)

  12. Estimating the impact of land use change on surface energy partition based on the Noah model

    Science.gov (United States)

    Chen, Shaohui; Su, Hongbo; Zhan, Jinyan

    2014-03-01

    It is well known that land use has an important impact on surface energy partition. It is important to study the evolving trend of the partition of sensible heat flux (SHF) and latent heat flux (LHF) from the net radiance (NR) with land use change in the context of regional climate changes. In this paper, we studied the response of energy partition to land use using the Noah model. First, the Noah model simulation results of SHF and LHF between 2003 and 2005 were comprehensively validated using the observation data from the Changbai Mountain Station, the Xilinhot Station, and the Yucheng Station. The study domains represent three different types of land use change: excessive deforestation, grassland degeneration aggravation, and groundwater level decline, respectively. The study period was subsequently extended from 2015 through 2034, using four projected land use maps and forcing data from Princeton (2000-2004). The simulation results show that during the land use conversions, the annual average of LHF drops by 10.7%, rises by 10.1%, and drops by 11.5% for the Changbai Mountain, Inner Mongolia, and Northern China stations, respectively while the annual average of SHF rises by 10.6%, drops by 10.1%, and drops by 11.3% for the three areas.

  13. On the partitioning method and the perturbation quantum theory - discrete spectra

    International Nuclear Information System (INIS)

    Logrado, P.G.

    1982-05-01

    Lower and upper bounds to eigenvalues of the Schroedinger equation H Ψ = E Ψ (H = H 0 + V) and the convergence condition, in Schonberg's perturbation theory, are presented. These results are obtained using the partitioning technique. It is presented for the first time a perturbation treatment obtained when the reference function in the partitioning technique is chosen to be a true eigenfunction Ψ. The convergence condition and upper and lower bounds for the true eigenvalues E are derived in this formulation. The concept of the reaction and wave operators is also discussed. (author)

  14. Quantum communication with photons

    International Nuclear Information System (INIS)

    Tittel, W.

    2005-01-01

    Full text: The discovery that transmission of information encoded into single quantum systems enables new forms of communication let to the emergence of the domain of quantum communication. During the last ten years, various key experiments based on photons as carrier of the quantum information have been realized. Today, quantum cryptography systems based on faint laser pulses can be purchased commercially, bi-partite entanglement has been distributed over long distances and has been used for quantum key distribution, and quantum purification, teleportation and entanglement swapping have been demonstrated. I will give a general introduction into this fascinating field and will review experimental achievements in the domain of quantum communication with discrete two-level quantum systems (qubits) encoded into photons. (author)

  15. Logical entropy of quantum dynamical systems

    Directory of Open Access Journals (Sweden)

    Ebrahimzadeh Abolfazl

    2016-01-01

    Full Text Available This paper introduces the concepts of logical entropy and conditional logical entropy of hnite partitions on a quantum logic. Some of their ergodic properties are presented. Also logical entropy of a quantum dynamical system is dehned and ergodic properties of dynamical systems on a quantum logic are investigated. Finally, the version of Kolmogorov-Sinai theorem is proved.

  16. Lamb shift of energy levels in quantum rings

    International Nuclear Information System (INIS)

    Kryuchkyan, G Yu; Kyriienko, O; Shelykh, I A

    2015-01-01

    We study the vacuum radiative corrections to energy levels of a confined electron in quantum rings. The calculations are provided for the Lamb shift of energy levels in a low-momentum region of virtual photons and for both one-dimensional and two-dimensional quantum rings. We show that contrary to the well known case of a hydrogen atom the value of the Lamb shift increases with the magnetic momentum quantum number m. We also investigate the dependence of the Lamb shift on magnetic flux piercing the ring and demonstrate a presence of magnetic-flux-dependent oscillations. For a one-dimensional ring the value of the shift strongly depends on the radius of the ring. It is small for semiconductor rings but can attain measurable quantities in natural organic ring-shape molecules, such as benzene, cycloalcanes and porphyrins. (paper)

  17. Sustainability of environment-assisted energy transfer in quantum photobiological complexes

    Energy Technology Data Exchange (ETDEWEB)

    Zloshchastiev, Konstantin G. [Institute of Systems Science, Durban University of Technology (South Africa)

    2017-09-15

    It is shown that quantum sustainability is a universal phenomenon which emerges during environment-assisted electronic excitation energy transfer (EET) in photobiological complexes (PBCs), such as photosynthetic reaction centers and centers of melanogenesis. We demonstrate that quantum photobiological systems must be sustainable for them to simultaneously endure continuous energy transfer and keep their internal structure from destruction or critical instability. These quantum effects occur due to the interaction of PBCs with their environment which can be described by means of the reduced density operator and effective non-Hermitian Hamiltonian (NH). Sustainable NH models of EET predict the coherence beats, followed by the decrease of coherence down to a small, yet non-zero value. This indicates that in sustainable PBCs, quantum effects survive on a much larger time scale than the energy relaxation of an exciton. We show that sustainable evolution significantly lowers the entropy of PBCs and improves the speed and capacity of EET. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Averaged null energy condition and difference inequalities in quantum field theory

    International Nuclear Information System (INIS)

    Yurtsever, U.

    1995-01-01

    For a large class of quantum states, all local (pointwise) energy conditions widely used in relativity are violated by the renormalized stress-energy tensor of a quantum field. In contrast, certain nonlocal positivity constraints on the quantum stress-energy tensor might hold quite generally, and this possibility has received considerable attention in recent years. In particular, it is now known that the averaged null energy condition, the condition that the null-null component of the stress-energy tensor integrated along a complete null geodesic is non-negative for all states, holds quite generally in a wide class of spacetimes for a minimally coupled scalar field. Apart from the specific class of spacetimes considered (mainly two-dimensional spacetimes and four-dimensional Minkowski space), the most significant restriction on this result is that the null geodesic over which the average is taken must be achronal. Recently, Ford and Roman have explored this restriction in two-dimensional flat spacetime, and discovered that in a flat cylindrical space, although the stress energy tensor itself fails to satisfy the averaged null energy condition (ANEC) along the (nonachronal) null geodesics, when the ''Casimir-vacuum'' contribution is subtracted from the stress-energy the resulting tensor does satisfy the ANEC inequality. Ford and Roman name this class of constraints on the quantum stress-energy tensor ''difference inequalities.'' Here I give a proof of the difference inequality for a minimally coupled massless scalar field in an arbitrary (globally hyperbolic) two-dimensional spacetime, using the same techniques as those we relied on to prove the ANEC in an earlier paper with Wald. I begin with an overview of averaged energy conditions in quantum field theory

  19. Quantum scattering at low energies

    DEFF Research Database (Denmark)

    Derezinski, Jan; Skibsted, Erik

    For a class of negative slowly decaying potentials, including with , we study the quantum mechanical scattering theory in the low-energy regime. Using modifiers of the Isozaki--Kitada type we show that scattering theory is well behaved on the {\\it whole} continuous spectrum of the Hamiltonian......, including the energy . We show that the --matrices are well-defined and strongly continuous down to the zero energy threshold. Similarly, we prove that the wave matrices and generalized eigenfunctions are norm continuous down to the zero energy if we use appropriate weighted spaces. These results are used...... from positive energies to the limiting energy . This change corresponds to the behaviour of the classical orbits. Under stronger conditions we extract the leading term of the asymptotics of the kernel of at its singularities; this leading term defines a Fourier integral operator in the sense...

  20. Typical equilibrium state of an embedded quantum system.

    Science.gov (United States)

    Ithier, Grégoire; Ascroft, Saeed; Benaych-Georges, Florent

    2017-12-01

    We consider an arbitrary quantum system coupled nonperturbatively to a large arbitrary and fully quantum environment. In the work by Ithier and Benaych-Georges [Phys. Rev. A 96, 012108 (2017)2469-992610.1103/PhysRevA.96.012108] the typicality of the dynamics of such an embedded quantum system was established for several classes of random interactions. In other words, the time evolution of its quantum state does not depend on the microscopic details of the interaction. Focusing on the long-time regime, we use this property to calculate analytically a partition function characterizing the stationary state and involving the overlaps between eigenvectors of a bare and a dressed Hamiltonian. This partition function provides a thermodynamical ensemble which includes the microcanonical and canonical ensembles as particular cases. We check our predictions with numerical simulations.

  1. Zero-point quantum fluctuations and dark energy

    International Nuclear Information System (INIS)

    Maggiore, Michele

    2011-01-01

    In the Hamiltonian formulation of general relativity, the energy associated to an asymptotically flat space-time with metric g μν is related to the Hamiltonian H GR by E=H GR [g μν ]-H GR [η μν ], where the subtraction of the flat-space contribution is necessary to get rid of an otherwise divergent boundary term. This classic result indicates that the energy associated to flat space does not gravitate. We apply the same principle to study the effect of the zero-point fluctuations of quantum fields in cosmology, proposing that their contribution to cosmic expansion is obtained computing the vacuum energy of quantum fields in a Friedmann-Robertson-Walker space-time with Hubble parameter H(t) and subtracting from it the flat-space contribution. Then the term proportional to Λ c 4 (where Λ c is the UV cutoff) cancels, and the remaining (bare) value of the vacuum energy density is proportional to Λ c 2 H 2 (t). After renormalization, this produces a renormalized vacuum energy density ∼M 2 H 2 (t), where M is the scale where quantum gravity sets is, so for M of the order of the Planck mass a vacuum energy density of the order of the critical density can be obtained without any fine-tuning. The counterterms can be chosen so that the renormalized energy density and pressure satisfy p=wρ, with w a parameter that can be fixed by comparison to the observed value, so, in particular, one can choose w=-1. An energy density evolving in time as H 2 (t) is however observationally excluded as an explanation for the dominant dark energy component that is responsible for the observed acceleration of the Universe. We rather propose that zero-point vacuum fluctuations provide a new subdominant ''dark'' contribution to the cosmic expansion that, for a UV scale M slightly smaller than the Planck mass, is consistent with existing limits and potentially detectable.

  2. Addressing student models of energy loss in quantum tunnelling

    International Nuclear Information System (INIS)

    Wittmann, Michael C; Morgan, Jeffrey T; Bao Lei

    2005-01-01

    We report on a multi-year, multi-institution study to investigate students' reasoning about energy in the context of quantum tunnelling. We use ungraded surveys, graded examination questions, individual clinical interviews and multiple-choice exams to build a picture of the types of responses that students typically give. We find that two descriptions of tunnelling through a square barrier are particularly common. Students often state that tunnelling particles lose energy while tunnelling. When sketching wavefunctions, students also show a shift in the axis of oscillation, as if the height of the axis of oscillation indicated the energy of the particle. We find inconsistencies between students' conceptual, mathematical and graphical models of quantum tunnelling. As part of a curriculum in quantum physics, we have developed instructional materials designed to help students develop a more robust and less inconsistent picture of tunnelling, and present data suggesting that we have succeeded in doing so

  3. Application of the two-source energy balance model to partition evapotranspiration in an arid wine vineyard

    Science.gov (United States)

    Kool, Dilia; Kustas, William P.; Agam, Nurit

    2016-04-01

    The partitioning of evapotranspiration (ET) into transpiration (T), a productive water use, and soil water evaporation (E), which is generally considered a water loss, is highly relevant to agriculture in the light of increasing desertification and water scarcity. This task is challenged by the complexity of soil and plant interactions, coupled with changes in atmospheric and soil water content conditions. Many of the processes controlling water/energy exchange are not adequately modeled. The two-source energy balance model (TSEB) was evaluated and adapted for independent E and T estimations in an isolated drip-irrigated wine vineyard in the arid Negev desert. The TSEB model estimates ET by computing vegetation and soil energy fluxes using remotely sensed composite surface temperature, local weather data (solar radiation, air temperature and humidity, and wind speed), and vegetation metrics (row spacing, canopy height and width, and leaf area). The soil and vegetation energy fluxes are computed numerically using a system of temperature gradient and resistance equations; where soil and canopy temperatures are derived from the composite surface temperature. For estimation of ET, the TSEB model has been shown to perform well for various agricultural crops under a wide range of environmental conditions, but validation of T and E fluxes is limited to one study in a well-watered cotton crop. Extending the TSEB approach to water-limited vineyards demands careful consideration regarding how the complex canopy structure of vineyards will influence the accuracy of the partitioning between E and T. Data for evaluation of the TSEB model were collected over a season (bud break till harvest). Composite, canopy, and soil surface temperatures were measured using infrared thermometers. The composite vegetation and soil surface energy fluxes were assessed using independent measurements of net radiation, and soil, sensible and latent heat flux. The below canopy energy balance was

  4. Modified weak energy condition for the energy momentum tensor in quantum field theory

    International Nuclear Information System (INIS)

    Latorre, J.

    1998-01-01

    The weak energy condition is known to fail in general when applied to expectation values of the energy momentum tensor in flat space quantum field theory. It is shown how the usual counter arguments against its validity are no longer applicable if the states vertical stroke ψ right angle for which the expectation value is considered are restricted to a suitably defined subspace. A possible natural restriction on vertical stroke ψ right angle is suggested and illustrated by two quantum mechanical examples based on a simple perturbed harmonic oscillator Hamiltonian. The proposed alternative quantum weak energy condition is applied to states formed by the action of the scalar, vector and the energy momentum tensor operators on the vacuum. We assume conformal invariance in order to determine almost uniquely three-point functions involving the energy momentum tensor in terms of a few parameters. The positivity conditions lead to non-trivial inequalities for these parameters. They are satisfied in free field theories, except in one case for dimensions close to two. Further restrictions on vertical stroke ψ right angle are suggested which remove this problem. The inequalities which follow from considering the state formed by applying the energy momentum tensor to the vacuum are shown to imply that the coefficient of the topological term in the expectation value of the trace of the energy momentum tensor in an arbitrary curved space background is positive, in accord with calculations in free field theories. (orig.)

  5. Quantum Yang–Mills Dark Energy

    Directory of Open Access Journals (Sweden)

    Roman Pasechnik

    2016-02-01

    Full Text Available In this short review, I discuss basic qualitative characteristics of quantum non-Abelian gauge dynamics in the non-stationary background of the expanding Universe in the framework of the standard Einstein–Yang–Mills formulation. A brief outlook of existing studies of cosmological Yang–Mills fields and their properties will be given. Quantum effects have a profound impact on the gauge field-driven cosmological evolution. In particular, a dynamical formation of the spatially-homogeneous and isotropic gauge field condensate may be responsible for both early and late-time acceleration, as well as for dynamical compensation of non-perturbative quantum vacua contributions to the ground state of the Universe. The main properties of such a condensate in the effective QCD theory at the flat Friedmann–Lemaítre–Robertson–Walker (FLRW background will be discussed within and beyond perturbation theory. Finally, a phenomenologically consistent dark energy can be induced dynamically as a remnant of the QCD vacua compensation arising from leading-order graviton-mediated corrections to the QCD ground state.

  6. Maximum Power Output of Quantum Heat Engine with Energy Bath

    Directory of Open Access Journals (Sweden)

    Shengnan Liu

    2016-05-01

    Full Text Available The difference between quantum isoenergetic process and quantum isothermal process comes from the violation of the law of equipartition of energy in the quantum regime. To reveal an important physical meaning of this fact, here we study a special type of quantum heat engine consisting of three processes: isoenergetic, isothermal and adiabatic processes. Therefore, this engine works between the energy and heat baths. Combining two engines of this kind, it is possible to realize the quantum Carnot engine. Furthermore, considering finite velocity of change of the potential shape, here an infinite square well with moving walls, the power output of the engine is discussed. It is found that the efficiency and power output are both closely dependent on the initial and final states of the quantum isothermal process. The performance of the engine cycle is shown to be optimized by control of the occupation probability of the ground state, which is determined by the temperature and the potential width. The relation between the efficiency and power output is also discussed.

  7. Rotational partition functions for linear molecules

    International Nuclear Information System (INIS)

    McDowell, R.S.

    1988-01-01

    An accurate closed-form expression for the rotational partition function of linear polyatomic molecules in 1 summation electronic states is derived, including the effect of nuclear spin (significant at very low temperatures) and of quartic and sextic centrifugal distortion terms (significant at moderate and high temperatures). The proper first-order quantum correction to the classical rigid-rotator partition function is shown to yield Q/sub r/ ≅β -1 exp(β/3), where βequivalenthcB/kT and B is the rotational constant in cm -1 ; for β≥0.2 additional power-series terms in β are necessary. Comparison between the results of this treatment and exact summations are made for HCN and C 2 H 2 at temperatures from 2 to 5000 K, including separate evaluation of the contributions of nuclear spin and centrifugal distortion

  8. Energy partition between the core and the penumbra of Au, La, Fe and Na-ion tracks in liquid argon over the energy interval 1-1000 MeV/amu

    International Nuclear Information System (INIS)

    Mozumder, A.; Takashima, T.

    1995-01-01

    Recently an allene-doped liquid argon (LAr) calorimeter has been constructed for measuring energies of relativistic heavy ions. The results obtained were compared with simulations that include quenching and certain other factors. This note presents a calculation which is used as a part of a model for the response of a liquid argon calorimeter to accelerated heavy ions. Scintillator response, particularly those made of organic compounds, can be nonlinear due to regions of high ionization density. It is therefore important to know the partition of deposited energy between the core and the penumbra. Here we calculate this partition for Au, La, Fe and Na-ions in LAr over the energy interval 1-1000 MeV/amu. (orig.)

  9. The energy cost of quantum information losses

    Science.gov (United States)

    Romanelli, Alejandro; de Lima Marquezino, Franklin; Portugal, Renato; Donangelo, Raul

    2018-05-01

    We explore the energy cost of the information loss resulting from the passage of an initial density operator to a reduced one. We use the concept of entanglement temperature in order to obtain a lower bound for the energy change associated with this operation. We determine the minimal energy required for the case of the information losses associated with the trace over the space coordinates of a two-dimensional quantum walk.

  10. Quantum scattering at low energies

    DEFF Research Database (Denmark)

    Derezinski, Jan; Skibsted, Erik

    2009-01-01

    For a class of negative slowly decaying potentials, including V(x):=−γ|x|−μ with 0quantum mechanical scattering theory in the low-energy regime. Using appropriate modifiers of the Isozaki–Kitada type we show that scattering theory is well behaved on the whole continuous spectrum...... of the Hamiltonian, including the energy 0. We show that the modified scattering matrices S(λ) are well-defined and strongly continuous down to the zero energy threshold. Similarly, we prove that the modified wave matrices and generalized eigenfunctions are norm continuous down to the zero energy if we use...... of the kernel of S(λ) experiences an abrupt change from passing from positive energies λ to the limiting energy λ=0 . This change corresponds to the behaviour of the classical orbits. Under stronger conditions one can extract the leading term of the asymptotics of the kernel of S(λ) at its singularities....

  11. Controlling the exciton energy of a nanowire quantum dot by strain fields

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yan; Zhang, Jiaxiang; Ding, Fei, E-mail: f.ding@ifw-dresden.de [Institute for Integrative Nanosciences, IFW Dresden, Helmholtz Strasse 20, 01069 Dresden (Germany); Zadeh, Iman Esmaeil; Jöns, Klaus D.; Fognini, Andreas; Zwiller, Val [Kavli Institute of Nanoscience, Delft University of Technology, 2600 GA Delft (Netherlands); Reimer, Michael E. [Institute for Quantum Computing and Department of Electrical and Computer Engineering, University of Waterloo, Waterloo, N2L 3G1 (Canada); Dalacu, Dan; Poole, Philip J. [National Research Council, Ottawa, Ontario K1A 0R6 (Canada); Schmidt, Oliver G. [Institute for Integrative Nanosciences, IFW Dresden, Helmholtz Strasse 20, 01069 Dresden (Germany); Material Systems for Nanoelectronics, Chemnitz University of Technology, Reichenhainer Strasse 70, 09107 Chemnitz (Germany)

    2016-05-02

    We present an experimental route to engineer the exciton energies of single quantum dots in nanowires. By integrating the nanowires onto a piezoelectric crystal, we controllably apply strain fields to the nanowire quantum dots. Consequently, the exciton energy of a single quantum dot in the nanowire is shifted by several meVs without degrading its optical intensity and single-photon purity. Second-order autocorrelation measurements are performed at different strain fields on the same nanowire quantum dot. The suppressed multi-photon events at zero time delay clearly verify that the quantum nature of single-photon emission is well preserved under external strain fields. The work presented here could facilitate on-chip optical quantum information processing with the nanowire based single photon emitters.

  12. Electron energy spectrum in core-shell elliptic quantum wire

    Directory of Open Access Journals (Sweden)

    V.Holovatsky

    2007-01-01

    Full Text Available The electron energy spectrum in core-shell elliptic quantum wire and elliptic semiconductor nanotubes are investigated within the effective mass approximation. The solution of Schrodinger equation based on the Mathieu functions is obtained in elliptic coordinates. The dependencies of the electron size quantization spectrum on the size and shape of the core-shell nanowire and nanotube are calculated. It is shown that the ellipticity of a quantum wire leads to break of degeneration of quasiparticle energy spectrum. The dependences of the energy of odd and even electron states on the ratio between semiaxes are of a nonmonotonous character. The anticrosing effects are observed at the dependencies of electron energy spectrum on the transversal size of the core-shell nanowire.

  13. Operator algebras for general one-dimensional quantum mechanical potentials with discrete spectrum

    International Nuclear Information System (INIS)

    Wuensche, Alfred

    2002-01-01

    We define general lowering and raising operators of the eigenstates for one-dimensional quantum mechanical potential problems leading to discrete energy spectra and investigate their associative algebra. The Hamilton operator is quadratic in these lowering and raising operators and corresponding representations of operators for action and angle are found. The normally ordered representation of general operators using combinatorial elements such as partitions is derived. The introduction of generalized coherent states is discussed. Linear laws for the spacing of the energy eigenvalues lead to the Heisenberg-Weyl group and general quadratic laws of level spacing to unitary irreducible representations of the Lie group SU(1, 1) that is considered in detail together with a limiting transition from this group to the Heisenberg-Weyl group. The relation of the approach to quantum deformations is discussed. In two appendices, the classical and quantum mechanical treatment of the squared tangent potential is presented as a special case of a system with quadratic level spacing

  14. Lower Bound on the Energy Density in Classical and Quantum Field Theories.

    Science.gov (United States)

    Wall, Aron C

    2017-04-14

    A novel method for deriving energy conditions in stable field theories is described. In a local classical theory with one spatial dimension, a local energy condition always exists. For a relativistic field theory, one obtains the dominant energy condition. In a quantum field theory, there instead exists a quantum energy condition, i.e., a lower bound on the energy density that depends on information-theoretic quantities. Some extensions to higher dimensions are briefly discussed.

  15. Study of energy conversion and partitioning in the magnetic reconnection layer of a laboratory plasma

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Masaaki; Yoo, Jongsoo; Jara-Almonte, Jonathan; Ji, Hantao; Kulsrud, Russell M.; Myers, Clayton E. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Daughton, William [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2015-05-15

    While the most important feature of magnetic reconnection is that it energizes plasma particles by converting magnetic energy to particle energy, the exact mechanisms by which this happens are yet to be determined despite a long history of reconnection research. Recently, we have reported our results on the energy conversion and partitioning in a laboratory reconnection layer in a short communication [Yamada et al., Nat. Commun. 5, 4474 (2014)]. The present paper is a detailed elaboration of this report together with an additional dataset with different boundary sizes. Our experimental study of the reconnection layer is carried out in the two-fluid physics regime where ions and electrons move quite differently. We have observed that the conversion of magnetic energy occurs across a region significantly larger than the narrow electron diffusion region. A saddle shaped electrostatic potential profile exists in the reconnection plane, and ions are accelerated by the resulting electric field at the separatrices. These accelerated ions are then thermalized by re-magnetization in the downstream region. A quantitative inventory of the converted energy is presented in a reconnection layer with a well-defined, variable boundary. We have also carried out a systematic study of the effects of boundary conditions on the energy inventory. This study concludes that about 50% of the inflowing magnetic energy is converted to particle energy, 2/3 of which is ultimately transferred to ions and 1/3 to electrons. Assisted by another set of magnetic reconnection experiment data and numerical simulations with different sizes of monitoring box, it is also observed that the observed features of energy conversion and partitioning do not depend on the size of monitoring boundary across the range of sizes tested from 1.5 to 4 ion skin depths.

  16. Stochastic dark energy from inflationary quantum fluctuations

    Science.gov (United States)

    Glavan, Dražen; Prokopec, Tomislav; Starobinsky, Alexei A.

    2018-05-01

    We study the quantum backreaction from inflationary fluctuations of a very light, non-minimally coupled spectator scalar and show that it is a viable candidate for dark energy. The problem is solved by suitably adapting the formalism of stochastic inflation. This allows us to self-consistently account for the backreaction on the background expansion rate of the Universe where its effects are large. This framework is equivalent to that of semiclassical gravity in which matter vacuum fluctuations are included at the one loop level, but purely quantum gravitational fluctuations are neglected. Our results show that dark energy in our model can be characterized by a distinct effective equation of state parameter (as a function of redshift) which allows for testing of the model at the level of the background.

  17. Constraining Aggregate-Scale Solar Energy Partitioning in Arctic Sea Ice Through Synthesis of Remote Sensing and Autonomous In-Situ Observations.

    Science.gov (United States)

    Wright, N.; Polashenski, C. M.; Deeb, E. J.; Morriss, B. F.; Song, A.; Chen, J.

    2015-12-01

    One of the key processes controlling sea ice mass balance in the Arctic is the partitioning of solar energy between reflection back to the atmosphere and absorption into the ice and upper ocean. We investigate the solar energy balance in the ice-ocean system using in-situ data collected from Arctic Observing Network (AON) sea ice sites and imagery from high resolution optical satellites. AON assets, including ice mass balance buoys and ice tethered profilers, monitor the storage and fluxes of heat in the ice-ocean system. High resolution satellite imagery, processed using object-based image classification techniques, allows us to quantify the evolution of surrounding ice conditions, including melt pond coverage and floe size distribution, at aggregate scale. We present results from regionally representative sites that constrain the partitioning of absorbed solar energy between ice melt and ocean storage, and quantify the strength of the ice-albedo feedback. We further demonstrate how the results can be used to validate model representations of the physical processes controlling ice-albedo feedbacks. The techniques can be extended to understand solar partitioning across the Arctic basin using additional sites and model based data integration.

  18. High energy approximations in quantum field theory

    International Nuclear Information System (INIS)

    Orzalesi, C.A.

    1975-01-01

    New theoretical methods in hadron physics based on a high-energy perturbation theory are discussed. The approximated solutions to quantum field theory obtained by this method appear to be sufficiently simple and rich in structure to encourage hadron dynamics studies. Operator eikonal form for field - theoretic Green's functions is derived and discussion is held on how the eikonal perturbation theory is to be renormalized. This method is extended to massive quantum electrodynamics of scalar charged bosons. Possible developments and applications of this theory are given [pt

  19. Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

    Science.gov (United States)

    Samosvat, D. M.; Chikalova-Luzina, O. P.; Vyatkin, V. M.; Zegrya, G. G.

    2016-11-01

    In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones.

  20. Quantum nuclear pasta and nuclear symmetry energy

    Science.gov (United States)

    Fattoyev, F. J.; Horowitz, C. J.; Schuetrumpf, B.

    2017-05-01

    Complex and exotic nuclear geometries, collectively referred to as "nuclear pasta," are expected to appear naturally in dense nuclear matter found in the crusts of neutron stars and supernovae environments. The pasta geometries depend on the average baryon density, proton fraction, and temperature and are critically important in the determination of many transport properties of matter in supernovae and the crusts of neutron stars. Using a set of self-consistent microscopic nuclear energy density functionals, we present the first results of large scale quantum simulations of pasta phases at baryon densities 0.03 ≤ρ ≤0.10 fm-3 , proton fractions 0.05 ≤Yp≤0.40 , and zero temperature. The full quantum simulations, in particular, allow us to thoroughly investigate the role and impact of the nuclear symmetry energy on pasta configurations. We use the Sky3D code that solves the Skyrme Hartree-Fock equations on a three-dimensional Cartesian grid. For the nuclear interaction we use the state-of-the-art UNEDF1 parametrization, which was introduced to study largely deformed nuclei, hence is suitable for studies of the nuclear pasta. Density dependence of the nuclear symmetry energy is simulated by tuning two purely isovector observables that are insensitive to the current available experimental data. We find that a minimum total number of nucleons A =2000 is necessary to prevent the results from containing spurious shell effects and to minimize finite size effects. We find that a variety of nuclear pasta geometries are present in the neutron star crust, and the result strongly depends on the nuclear symmetry energy. The impact of the nuclear symmetry energy is less pronounced as the proton fractions increase. Quantum nuclear pasta calculations at T =0 MeV are shown to get easily trapped in metastable states, and possible remedies to avoid metastable solutions are discussed.

  1. The microcanonical ensemble of the ideal relativistic quantum gas with angular momentum conservation

    International Nuclear Information System (INIS)

    Becattini, F.; Ferroni, L.

    2007-01-01

    We derive the microcanonical partition function of the ideal relativistic quantum gas with fixed intrinsic angular momentum as an expansion over fixed multiplicities. We developed a group theoretical approach by generalizing known projection techniques to the Poincare group. Our calculation is carried out in a quantum field framework and applies to particles with any spin. It extends known results in the literature in that it does not introduce any large volume approximation, and it takes particle spin fully into account. We provide expressions of the microcanonical partition function at fixed multiplicities in the limiting classical case of large volumes and large angular momenta and in the grand-canonical ensemble. We also derive the microcanonical partition function of the ideal relativistic quantum gas with fixed parity. (orig.)

  2. Luminescence model with quantum impact parameter for low energies

    International Nuclear Information System (INIS)

    Cruz G, H.S.; Michaelian, K.; Galindo U, S.; Martinez D, A.; Belmont M, E.

    2000-01-01

    The analytical model of induced light production in scintillator materials by energetic ions proposed by Michaelian and Menchaca (M-M) adjusts very well the luminescence substance data in a wide energy interval of the incident ions (10-100 MeV). However at low energies, that is, under to 10 MeV, the experimental deviations of the predictions of M-M model, show that the causes may be certain physical effects, all they important at low energies, which were not considered. We have modified lightly the M-M model using the basic fact that the Quantum mechanics gives to a different limit for the quantum impact parameter instead of the classic approximation. (Author)

  3. Analysing surface energy balance closure and partitioning over a semi-arid savanna FLUXNET site in Skukuza, Kruger National Park, South Africa

    CSIR Research Space (South Africa)

    Majozi, Nobuhle P

    2017-07-01

    Full Text Available available energy (net radiation (Rn) less soil heat (G)), and the energy balance ratio (EBR). Partitioning of the surface energy during the wet and dry seasons was also investigated, as well as how it is affected by atmospheric vapour pressure deficit (VPD...

  4. ADHM and the 4d quantum Hall effect

    Science.gov (United States)

    Barns-Graham, Alec; Dorey, Nick; Lohitsiri, Nakarin; Tong, David; Turner, Carl

    2018-04-01

    Yang-Mills instantons are solitonic particles in d = 4 + 1 dimensional gauge theories. We construct and analyse the quantum Hall states that arise when these particles are restricted to the lowest Landau level. We describe the ground state wavefunctions for both Abelian and non-Abelian quantum Hall states. Although our model is purely bosonic, we show that the excitations of this 4d quantum Hall state are governed by the Nekrasov partition function of a certain five dimensional supersymmetric gauge theory with Chern-Simons term. The partition function can also be interpreted as a variant of the Hilbert series of the instanton moduli space, counting holomorphic sections rather than holomorphic functions. It is known that the Hilbert series of the instanton moduli space can be rewritten using mirror symmetry of 3d gauge theories in terms of Coulomb branch variables. We generalise this approach to include the effect of a five dimensional Chern-Simons term. We demonstrate that the resulting Coulomb branch formula coincides with the corresponding Higgs branch Molien integral which, in turn, reproduces the standard formula for the Nekrasov partition function.

  5. Asymptotic expansion of a partition function related to the sinh-model

    CERN Document Server

    Borot, Gaëtan; Kozlowski, Karol K

    2016-01-01

    This book elaborates on the asymptotic behaviour, when N is large, of certain N-dimensional integrals which typically occur in random matrices, or in 1+1 dimensional quantum integrable models solvable by the quantum separation of variables. The introduction presents the underpinning motivations for this problem, a historical overview, and a summary of the strategy, which is applicable in greater generality. The core aims at proving an expansion up to o(1) for the logarithm of the partition function of the sinh-model. This is achieved by a combination of potential theory and large deviation theory so as to grasp the leading asymptotics described by an equilibrium measure, the Riemann-Hilbert approach to truncated Wiener-Hopf in order to analyse the equilibrium measure, the Schwinger-Dyson equations and the boostrap method to finally obtain an expansion of correlation functions and the one of the partition function. This book is addressed to researchers working in random matrices, statistical physics or integra...

  6. Completeness of classical spin models and universal quantum computation

    International Nuclear Information System (INIS)

    De las Cuevas, Gemma; Dür, Wolfgang; Briegel, Hans J; Van den Nest, Maarten

    2009-01-01

    We study mappings between different classical spin systems that leave the partition function invariant. As recently shown in Van den Nest et al (2008 Phys. Rev. Lett. 100 110501), the partition function of the 2D square lattice Ising model in the presence of an inhomogeneous magnetic field can specialize to the partition function of any Ising system on an arbitrary graph. In this sense the 2D Ising model is said to be 'complete'. However, in order to obtain the above result, the coupling strengths on the 2D lattice must assume complex values, and thus do not allow for a physical interpretation. Here we show how a complete model with real—and, hence, 'physical'—couplings can be obtained if the 3D Ising model is considered. We furthermore show how to map general q-state systems with possibly many-body interactions to the 2D Ising model with complex parameters, and give completeness results for these models with real parameters. We also demonstrate that the computational overhead in these constructions is in all relevant cases polynomial. These results are proved by invoking a recently found cross-connection between statistical mechanics and quantum information theory, where partition functions are expressed as quantum mechanical amplitudes. Within this framework, there exists a natural correspondence between many-body quantum states that allow for universal quantum computation via local measurements only, and complete classical spin systems

  7. Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

    International Nuclear Information System (INIS)

    Samosvat, D M; Chikalova-Luzina, O P; Zegrya, G G; Vyatkin, V M

    2016-01-01

    In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones. (paper)

  8. Quantum gravity on dS3

    International Nuclear Information System (INIS)

    Govindarajan, T R; Kaul, R K; Suneeta, V

    2002-01-01

    We study quantum gravity on dS 3 using the Chern-Simons formulation of three-dimensional gravity. We derive an exact expression for the partition function for quantum gravity on dS 3 in a Euclidean path integral approach. We show that the topology of the space relevant for studying de Sitter entropy is a solid torus. The quantum fluctuations of de Sitter space are sectors of configurations of point masses taking a discrete set of values. The partition function gives the correct semiclassical entropy. The sub-leading correction to the entropy is logarithmic in horizon area, with a coefficient -1. We discuss this correction in detail, and show that the sub-leading correction to the entropy from the dS/CFT correspondence agrees with our result. A comparison with the corresponding results for the AdS 3 BTZ black hole is also presented

  9. Estudo QSPR sobre os coeficientes de partição: descritores mecânico-quânticos e análise multivariada QSPR study on partition coefficients: quantum-mechanical descriptors and multivariate analysis

    Directory of Open Access Journals (Sweden)

    Edilson Grünheidt Borges

    2002-12-01

    Full Text Available Quantum chemistry and multivariate analysis were used to estimate the partition coefficients between n-octanol and water for a serie of 188 compounds, with the values of the q 2 until 0.86 for crossvalidation test. The quantum-mechanical descriptors are obtained with ab initio calculation, using the solvation effects of the Polarizable Continuum Method. Two different Hartree-Fock bases were used, and two different ways for simulating solvent cavity formation. The results for each of the cases were analised, and each methodology proposed is indicated for particular case.

  10. Quantum communication in noisy environments

    International Nuclear Information System (INIS)

    Aschauer, H.

    2004-01-01

    In this thesis, we investigate how protocols in quantum communication theory are influenced by noise. Specifically, we take into account noise during the transmission of quantum information and noise during the processing of quantum information. We describe three novel quantum communication protocols which can be accomplished efficiently in a noisy environment: (1) Factorization of Eve: We show that it is possible to disentangle transmitted qubits a posteriori from the quantum channel's degrees of freedom. (2) Cluster state purification: We give multi-partite entanglement purification protocols for a large class of entangled quantum states. (3) Entanglement purification protocols from quantum codes: We describe a constructive method to create bipartite entanglement purification protocols form quantum error correcting codes, and investigate the properties of these protocols, which can be operated in two different modes, which are related to quantum communication and quantum computation protocols, respectively

  11. Breakdown of the equivalence between active gravitational mass and energy for a quantum body

    International Nuclear Information System (INIS)

    Lebed, Andrei G.

    2016-01-01

    We determine active gravitational mass operator of the simplest composite quantum body - a hydrogen atom - within the semiclassical approach to the Einstein equation for a gravitational field. We show that the expectation value of the mass is equivalent to energy for stationary quantum states. On the other hand, it occurs that, for quantum superpositions of stationary states with constant expectation values of energy, the expectation values of the gravitational mass exhibit time-dependent oscillations. This breaks the equivalence between active gravitational mass and energy and can be observed as a macroscopic effect for a macroscopic ensemble of coherent quantum states of the atoms. The corresponding experiment could be the first direct observation of quantum effects in General Relativity. (paper)

  12. Harnessing Sun's Energy with Quantum Dots Based Next Generation Solar Cell.

    Science.gov (United States)

    Halim, Mohammad A

    2012-12-27

    Our energy consumption relies heavily on the three components of fossil fuels (oil, natural gas and coal) and nearly 83% of our current energy is consumed from those sources. The use of fossil fuels, however, has been viewed as a major environmental threat because of their substantial contribution to greenhouse gases which are responsible for increasing the global average temperature. Last four decades, scientists have been searching for alternative sources of energy which need to be environmentally clean, efficient, cost-effective, renewable, and sustainable. One of the promising sustainable sources of energy can be achieved by harnessing sun energy through silicon wafer, organic polymer, inorganic dye, and quantum dots based solar cells. Among them, quantum dots have an exceptional property in that they can excite multiple electrons using only one photon. These dots can easily be synthesized, processed in solution, and incorporated into solar cell application. Interestingly, the quantum dots solar cells can exceed the Shockley - Queisser limit; however, it is a great challenge for other solar cell materials to exceed the limit. Theoretically, the quantum dots solar cell can boost the power conversion efficiency up to 66% and even higher to 80%. Moreover, in changing the size of the quantum dots one can utilize the Sun's broad spectrum of visible and infrared ranges. This review briefly overviews the present performance of different materials-based solar cells including silicon wafer, dye-sensitized, and organic solar cells. In addition, recent advances of the quantum dots based solar cells which utilize cadmium sulfide/selenide, lead sulfide/selenide, and new carbon dots as light harvesting materials has been reviewed. A future outlook is sketched as to how one could improve the efficiency up to 10% from the current highest efficiency of 6.6%.

  13. Interqubit coupling mediated by a high-excitation-energy quantum object

    NARCIS (Netherlands)

    Ashhab, S.; Niskanen, A.O.; Harrabi, K.; Nakamura, Y.; Picot, T.; De Groot, P.C.; Harmans, C.J.P.M.; Mooij, J.E.; Nori, F.

    2008-01-01

    We consider a system composed of two qubits and a high excitation energy quantum object used to mediate coupling between the qubits. We treat the entire system quantum mechanically and analyze the properties of the eigenvalues and eigenstates of the total Hamiltonian. After reproducing well known

  14. Symmetry and symmetry breaking in quantum mechanics

    International Nuclear Information System (INIS)

    Chomaz, Philippe

    1998-01-01

    In the world of infinitely small, the world of atoms, nuclei and particles, the quantum mechanics enforces its laws. The discovery of Quanta, this unbelievable castration of the Possible in grains of matter and radiation, in discrete energy levels compels us of thinking the Single to comprehend the Universal. Quantum Numbers, magic Numbers and Numbers sign the wave. The matter is vibration. To describe the music of the world one needs keys, measures, notes, rules and partition: one needs quantum mechanics. The particles reduce themselves not in material points as the scholars of the past centuries thought, but they must be conceived throughout the space, in the accomplishment of shapes of volumes. When Einstein asked himself whether God plays dice, there was no doubt among its contemporaries that if He exists He is a geometer. In a Nature reduced to Geometry, the symmetries assume their role in servicing the Harmony. The symmetries allow ordering the energy levels to make them understandable. They impose there geometrical rules to the matter waves, giving them properties which sometimes astonish us. Hidden symmetries, internal symmetries and newly conceived symmetries have to be adopted subsequently to the observation of some order in this world of Quanta. In turn, the symmetries provide new observables which open new spaces of observation

  15. Yoink: An interaction-based partitioning API.

    Science.gov (United States)

    Zheng, Min; Waller, Mark P

    2018-05-15

    Herein, we describe the implementation details of our interaction-based partitioning API (application programming interface) called Yoink for QM/MM modeling and fragment-based quantum chemistry studies. Interactions are detected by computing density descriptors such as reduced density gradient, density overlap regions indicator, and single exponential decay detector. Only molecules having an interaction with a user-definable QM core are added to the QM region of a hybrid QM/MM calculation. Moreover, a set of molecule pairs having density-based interactions within a molecular system can be computed in Yoink, and an interaction graph can then be constructed. Standard graph clustering methods can then be applied to construct fragments for further quantum chemical calculations. The Yoink API is licensed under Apache 2.0 and can be accessed via yoink.wallerlab.org. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  16. Quantum localization and protein-assisted vibrational energy flow in cofactors

    International Nuclear Information System (INIS)

    Leitner, David M

    2010-01-01

    Quantum effects influence vibrational dynamics and energy flow in biomolecules, which play a central role in biomolecule function, including control of reaction kinetics. Lifetimes of many vibrational modes of proteins and their temperature dependence, as determined by quantum golden-rule-based calculations, exhibit trends consistent with experimental observation and distinct from estimates based on classical modeling. Particularly notable are quantum coherence effects that give rise to localization of vibrational states of sizable organic molecules in the gas phase. Even when such a molecule, for instance a cofactor, is embedded in a protein, remnants of quantum localization survive that influence vibrational energy flow and its dependence on temperature. We discuss these effects on the mode-damping rates of a cofactor embedded in a protein, using the green fluorescent protein chromophore as a specific example. We find that for cofactors of this size embedded in their protein and solvent environment at room temperature a golden-rule calculation often overestimates the mode-damping rate.

  17. Data Partitioning Technique for Improved Video Prioritization

    Directory of Open Access Journals (Sweden)

    Ismail Amin Ali

    2017-07-01

    Full Text Available A compressed video bitstream can be partitioned according to the coding priority of the data, allowing prioritized wireless communication or selective dropping in a congested channel. Known as data partitioning in the H.264/Advanced Video Coding (AVC codec, this paper introduces a further sub-partition of one of the H.264/AVC codec’s three data-partitions. Results show a 5 dB improvement in Peak Signal-to-Noise Ratio (PSNR through this innovation. In particular, the data partition containing intra-coded residuals is sub-divided into data from: those macroblocks (MBs naturally intra-coded, and those MBs forcibly inserted for non-periodic intra-refresh. Interactive user-to-user video streaming can benefit, as then HTTP adaptive streaming is inappropriate and the High Efficiency Video Coding (HEVC codec is too energy demanding.

  18. Coding Partitions

    Directory of Open Access Journals (Sweden)

    Fabio Burderi

    2007-05-01

    Full Text Available Motivated by the study of decipherability conditions for codes weaker than Unique Decipherability (UD, we introduce the notion of coding partition. Such a notion generalizes that of UD code and, for codes that are not UD, allows to recover the ``unique decipherability" at the level of the classes of the partition. By tacking into account the natural order between the partitions, we define the characteristic partition of a code X as the finest coding partition of X. This leads to introduce the canonical decomposition of a code in at most one unambiguouscomponent and other (if any totally ambiguouscomponents. In the case the code is finite, we give an algorithm for computing its canonical partition. This, in particular, allows to decide whether a given partition of a finite code X is a coding partition. This last problem is then approached in the case the code is a rational set. We prove its decidability under the hypothesis that the partition contains a finite number of classes and each class is a rational set. Moreover we conjecture that the canonical partition satisfies such a hypothesis. Finally we consider also some relationships between coding partitions and varieties of codes.

  19. Conjugate dynamical systems: classical analogue of the quantum energy translation

    International Nuclear Information System (INIS)

    Torres-Vega, Gabino

    2012-01-01

    An aspect of quantum mechanics that has not been fully understood is the energy shift generated by the time operator. In this study, we introduce the use of the eigensurfaces of dynamical variables and commutators in classical mechanics to study the classical analogue of the quantum translation of energy. We determine that there is a conjugate dynamical system that is conjugate to Hamilton's equations of motion, and then we generate the analogue of the time operator and use it in the translation of points along the energy direction, i.e. the classical analogue of the Pauli theorem. The theory is illustrated with a nonlinear oscillator model. (paper)

  20. Multipartite fully nonlocal quantum states

    International Nuclear Information System (INIS)

    Almeida, Mafalda L.; Cavalcanti, Daniel; Scarani, Valerio; Acin, Antonio

    2010-01-01

    We present a general method for characterizing the quantum correlations obtained after local measurements on multipartite systems. Sufficient conditions for a quantum system to be fully nonlocal according to a given partition, as well as being (genuinely) multipartite fully nonlocal, are derived. These conditions allow us to identify all completely connected graph states as multipartite fully nonlocal quantum states. Moreover, we show that this feature can also be observed in mixed states: the tensor product of five copies of the Smolin state, a biseparable and bound entangled state, is multipartite fully nonlocal.

  1. Nonlinearly-enhanced energy transport in many dimensional quantum chaos

    KAUST Repository

    Brambila, D. S.; Fratalocchi, Andrea

    2013-01-01

    By employing a nonlinear quantum kicked rotor model, we investigate the transport of energy in multidimensional quantum chaos. This problem has profound implications in many fields of science ranging from Anderson localization to time reversal of classical and quantum waves. We begin our analysis with a series of parallel numerical simulations, whose results show an unexpected and anomalous behavior. We tackle the problem by a fully analytical approach characterized by Lie groups and solitons theory, demonstrating the existence of a universal, nonlinearly-enhanced diffusion of the energy in the system, which is entirely sustained by soliton waves. Numerical simulations, performed with different models, show a perfect agreement with universal predictions. A realistic experiment is discussed in two dimensional dipolar Bose-Einstein-Condensates (BEC). Besides the obvious implications at the fundamental level, our results show that solitons can form the building block for the realization of new systems for the enhanced transport of matter.

  2. Nonlinearly-enhanced energy transport in many dimensional quantum chaos

    KAUST Repository

    Brambila, D. S.

    2013-08-05

    By employing a nonlinear quantum kicked rotor model, we investigate the transport of energy in multidimensional quantum chaos. This problem has profound implications in many fields of science ranging from Anderson localization to time reversal of classical and quantum waves. We begin our analysis with a series of parallel numerical simulations, whose results show an unexpected and anomalous behavior. We tackle the problem by a fully analytical approach characterized by Lie groups and solitons theory, demonstrating the existence of a universal, nonlinearly-enhanced diffusion of the energy in the system, which is entirely sustained by soliton waves. Numerical simulations, performed with different models, show a perfect agreement with universal predictions. A realistic experiment is discussed in two dimensional dipolar Bose-Einstein-Condensates (BEC). Besides the obvious implications at the fundamental level, our results show that solitons can form the building block for the realization of new systems for the enhanced transport of matter.

  3. Continuous-time quantum Monte Carlo impurity solvers

    Science.gov (United States)

    Gull, Emanuel; Werner, Philipp; Fuchs, Sebastian; Surer, Brigitte; Pruschke, Thomas; Troyer, Matthias

    2011-04-01

    representations of quantum dots and molecular conductors and play an increasingly important role in the theory of "correlated electron" materials as auxiliary problems whose solution gives the "dynamical mean field" approximation to the self-energy and local correlation functions. Solution method: Quantum impurity models require a method of solution which provides access to both high and low energy scales and is effective for wide classes of physically realistic models. The continuous-time quantum Monte Carlo algorithms for which we present implementations here meet this challenge. Continuous-time quantum impurity methods are based on partition function expansions of quantum impurity models that are stochastically sampled to all orders using diagrammatic quantum Monte Carlo techniques. For a review of quantum impurity models and their applications and of continuous-time quantum Monte Carlo methods for impurity models we refer the reader to [2]. Additional comments: Use of dmft requires citation of this paper. Use of any ALPS program requires citation of the ALPS [1] paper. Running time: 60 s-8 h per iteration.

  4. Evidence of quantum phase transition in real-space vacuum entanglement of higher derivative scalar quantum field theories.

    Science.gov (United States)

    Kumar, S Santhosh; Shankaranarayanan, S

    2017-11-17

    In a bipartite set-up, the vacuum state of a free Bosonic scalar field is entangled in real space and satisfies the area-law- entanglement entropy scales linearly with area of the boundary between the two partitions. In this work, we show that the area law is violated in two spatial dimensional model Hamiltonian having dynamical critical exponent z = 3. The model physically corresponds to next-to-next-to-next nearest neighbour coupling terms on a lattice. The result reported here is the first of its kind of violation of area law in Bosonic systems in higher dimensions and signals the evidence of a quantum phase transition. We provide evidence for quantum phase transition both numerically and analytically using quantum Information tools like entanglement spectra, quantum fidelity, and gap in the energy spectra. We identify the cause for this transition due to the accumulation of large number of angular zero modes around the critical point which catalyses the change in the ground state wave function due to the next-to-next-to-next nearest neighbor coupling. Lastly, using Hubbard-Stratanovich transformation, we show that the effective Bosonic Hamiltonian can be obtained from an interacting fermionic theory and provide possible implications for condensed matter systems.

  5. Exponential energy growth due to slow parameter oscillations in quantum mechanical systems.

    Science.gov (United States)

    Turaev, Dmitry

    2016-05-01

    It is shown that a periodic emergence and destruction of an additional quantum number leads to an exponential growth of energy of a quantum mechanical system subjected to a slow periodic variation of parameters. The main example is given by systems (e.g., quantum billiards and quantum graphs) with periodically divided configuration space. In special cases, the process can also lead to a long period of cooling that precedes the acceleration, and to the desertion of the states with a particular value of the quantum number.

  6. Coherently-enabled environmental control of optics and energy transfer pathways of hybrid quantum dot-metallic nanoparticle systems.

    Science.gov (United States)

    Hatef, Ali; Sadeghi, Seyed M; Fortin-Deschênes, Simon; Boulais, Etienne; Meunier, Michel

    2013-03-11

    It is well-known that optical properties of semiconductor quantum dots can be controlled using optical cavities or near fields of localized surface plasmon resonances (LSPRs) of metallic nanoparticles. In this paper we study the optics, energy transfer pathways, and exciton states of quantum dots when they are influenced by the near fields associated with plasmonic meta-resonances. Such resonances are formed via coherent coupling of excitons and LSPRs when the quantum dots are close to metallic nanorods and driven by a laser beam. Our results suggest an unprecedented sensitivity to the refractive index of the environment, causing significant spectral changes in the Förster resonance energy transfer from the quantum dots to the nanorods and in exciton transition energies. We demonstrate that when a quantum dot-metallic nanorod system is close to its plasmonic meta-resonance, we can adjust the refractive index to: (i) control the frequency range where the energy transfer from the quantum dot to the metallic nanorod is inhibited, (ii) manipulate the exciton transition energy shift of the quantum dot, and (iii) disengage the quantum dot from the metallic nanoparticle and laser field. Our results show that near meta-resonances the spectral forms of energy transfer and exciton energy shifts are strongly correlated to each other.

  7. Per-Olov Löwdin - father of quantum chemistry

    Science.gov (United States)

    Brändas, Erkki J.

    2017-09-01

    During 2016, we celebrate the 100th anniversary of the birth of Per-Olov Löwdin. He was appointed to the first Lehrstuhl in quantum chemistry at Uppsala University in 1960. Löwdin introduced quantum chemistry as a field in its own right by formulating its goals, establishing fundamental concepts, like the correlation energy, the method of configuration interaction, reduced density matrices, natural spin orbitals, charge and bond order matrices, symmetric orthogonalisation, and generalised self-consistent fields. His exposition of partitioning technique and perturbation theory, wave and reaction operators and associated non-linear summation techniques, introduced mathematical rigour and deductive order in the interpretative organisation of the new field. He brought the first computer to Uppsala University and pioneered the initiation of 'electronic brains' and anticipated their significance for quantum chemistry. Perhaps his single most influential contribution to the field was his education of two generations of future faculty in quantum chemistry through Summer Schools in the Scandinavian Mountains, Winter Institutes at Sanibel Island in the Gulf of Mexico. Per-Olov Löwdin founded the book series Advances in Quantum Chemistry and the International Journal of Quantum Chemistry. The evolution of quantum chemistry is appraised, starting from a collection of cross-disciplinary applications of quantum mechanics to the technologically advanced and predominant field of today, virtually used in all branches of chemistry. The scientific work of Per-Olov Löwdin has been crucial for the development of this new important province of science.

  8. Real space in situ bond energies: toward a consistent energetic definition of bond strength.

    Science.gov (United States)

    Menéndez-Crespo, Daniel; Costales, Aurora; Francisco, Evelio; Martin Pendas, Angel

    2018-04-14

    A rigorous definition of intrinsic bond strength based on the partitioning of a molecule into real space fragments is presented. Using the domains provided by the quantum theory of atoms in molecules (QTAIM) together with the interacting quantum atoms (IQA) energetic decomposition, we show how an in situ bond strength, matching all the requirements of an intrinsic bond energy, can be defined between each pair of fragments. Total atomization or fragmentation energies are shown to be equal to the sum of these in situ bond energies (ISBEs) if the energies of the fragments are measured with respect to their in-the-molecule state. These energies usually lie above the ground state of the isolated fragments by quantities identified with the standard fragment relaxation or deformation energies, which are also provided by the protocol. Deformation energies bridge dissociation energies with ISBEs, and can be dissected using well-known tools of real space theories of chemical bonding. Similarly, ISBEs can be partitioned into ionic and covalent contributions, and this feature adds to the chemical appeal of the procedure. All the energetic quantities examined are observable and amenable, in principle, to experimental determination. Several systems, exemplifying the role of each energetic term herein presented are used to show the power of the approach. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Harnessing Sun’s Energy with Quantum Dots Based Next Generation Solar Cell

    Science.gov (United States)

    Halim, Mohammad A.

    2012-01-01

    Our energy consumption relies heavily on the three components of fossil fuels (oil, natural gas and coal) and nearly 83% of our current energy is consumed from those sources. The use of fossil fuels, however, has been viewed as a major environmental threat because of their substantial contribution to greenhouse gases which are responsible for increasing the global average temperature. Last four decades, scientists have been searching for alternative sources of energy which need to be environmentally clean, efficient, cost-effective, renewable, and sustainable. One of the promising sustainable sources of energy can be achieved by harnessing sun energy through silicon wafer, organic polymer, inorganic dye, and quantum dots based solar cells. Among them, quantum dots have an exceptional property in that they can excite multiple electrons using only one photon. These dots can easily be synthesized, processed in solution, and incorporated into solar cell application. Interestingly, the quantum dots solar cells can exceed the Shockley-Queisser limit; however, it is a great challenge for other solar cell materials to exceed the limit. Theoretically, the quantum dots solar cell can boost the power conversion efficiency up to 66% and even higher to 80%. Moreover, in changing the size of the quantum dots one can utilize the Sun’s broad spectrum of visible and infrared ranges. This review briefly overviews the present performance of different materials-based solar cells including silicon wafer, dye-sensitized, and organic solar cells. In addition, recent advances of the quantum dots based solar cells which utilize cadmium sulfide/selenide, lead sulfide/selenide, and new carbon dots as light harvesting materials has been reviewed. A future outlook is sketched as to how one could improve the efficiency up to 10% from the current highest efficiency of 6.6%. PMID:28348320

  10. Onion like growth and inverted many-particle energies in quantum dots

    International Nuclear Information System (INIS)

    Bimberg, D.

    2008-01-01

    Use of surfactants like antimony in MOCVD growth enables novel growth regimes for quantum dots (QDs). The quantum dot ensemble luminescence no longer appears as a single inhomogeneously broadened peak but shows a multi-modal structure. Quantum dot subensembles are forming which differ in height by exactly one monolayer. For the first time the systematic dependence of excitonic properties on quantum dot size and shape can be investigated in detail. Both biexcitonic binding energy and excitonic fine-structure splitting vary from large positive through zero to negative values. Correlation and piezoelectric effects explain the observations

  11. Exact Path Integral for 3D Quantum Gravity.

    Science.gov (United States)

    Iizuka, Norihiro; Tanaka, Akinori; Terashima, Seiji

    2015-10-16

    Three-dimensional Euclidean pure gravity with a negative cosmological constant can be formulated in terms of the Chern-Simons theory, classically. This theory can be written in a supersymmetric way by introducing auxiliary gauginos and scalars. We calculate the exact partition function of this Chern-Simons theory by using the localization technique. Thus, we obtain the quantum gravity partition function, assuming that it can be obtained nonperturbatively by summing over partition functions of the Chern-Simons theory on topologically different manifolds. The resultant partition function is modular invariant, and, in the case in which the central charge is expected to be 24, it is the J function, predicted by Witten.

  12. Wave-packet revivals for quantum systems with nondegenerate energies

    International Nuclear Information System (INIS)

    Bluhm, R.; Tudose, B.

    1996-01-01

    The revival structure of wave packets is examined for quantum systems having energies that depend on two nondegenerate quantum numbers. For such systems, the evolution of the wave packet is controlled by two classical periods and three revival times. These wave packets exhibit quantum beats in the initial motion as well as new types of long-term revivals. The issue of whether fractional revivals can form is addressed. We present an analytical proof showing that at certain times equal to rational fractions of the revival times the wave packet can reform as a sum of subsidiary waves and that both conventional and new types of fractional revivals can occur. (orig.)

  13. Photosynthesis Revisited: Optimization of Charge and Energy Transfer in Quantum Materials

    Science.gov (United States)

    Gabor, Nathaniel

    2014-03-01

    The integration of new nano- and molecular-scale quantum materials into ultra-efficient energy harvesting devices presents significant scientific challenges. Of the many challenges, the most difficult is achieving high photon-to-electron conversion efficiency while maintaining broadband absorption. Due to exciton effects, devices composed of quantum materials may allow near-unity optical absorption efficiency yet require the choice of precisely one fundamental energy (HOMO-LUMO gap). To maximize absorption, the simplest device would absorb at the peak of the solar spectrum, which spans the visible wavelengths. If the peak of the solar spectrum spans the visible wavelengths, then why are terrestrial plants green? Here, I discuss a physical model of photosynthetic absorption and photoprotection in which the cell utilizes active feedback to optimize charge and energy transfer, thus maximizing stored energy rather than absorption. This model, which addresses the question of terrestrial greenness, is supported by several recent results that have begun to unravel the details of photoprotection in higher plants. More importantly, this model indicates a novel route for the design of next-generation energy harvesting systems based on nano- and molecular-scale quantum materials.

  14. Quantum random bit generation using energy fluctuations in stimulated Raman scattering.

    Science.gov (United States)

    Bustard, Philip J; England, Duncan G; Nunn, Josh; Moffatt, Doug; Spanner, Michael; Lausten, Rune; Sussman, Benjamin J

    2013-12-02

    Random number sequences are a critical resource in modern information processing systems, with applications in cryptography, numerical simulation, and data sampling. We introduce a quantum random number generator based on the measurement of pulse energy quantum fluctuations in Stokes light generated by spontaneously-initiated stimulated Raman scattering. Bright Stokes pulse energy fluctuations up to five times the mean energy are measured with fast photodiodes and converted to unbiased random binary strings. Since the pulse energy is a continuous variable, multiple bits can be extracted from a single measurement. Our approach can be generalized to a wide range of Raman active materials; here we demonstrate a prototype using the optical phonon line in bulk diamond.

  15. Thermodynamics of quantum strings

    CERN Document Server

    Morgan, M J

    1994-01-01

    A statistical mechanical analysis of an ideal gas of non-relativistic quantum strings is presented, in which the thermodynamic properties of the string gas are calculated from a canonical partition function. This toy model enables students to gain insight into the thermodynamics of a simple 'quantum field' theory, and provides a useful pedagogical introduction to the more complicated relativistic string theories. A review is also given of the thermodynamics of the open bosonic string gas and the type I (open) superstring gas. (author)

  16. Long-range energy transfer in self-assembled quantum dot-DNA cascades

    Science.gov (United States)

    Goodman, Samuel M.; Siu, Albert; Singh, Vivek; Nagpal, Prashant

    2015-11-01

    The size-dependent energy bandgaps of semiconductor nanocrystals or quantum dots (QDs) can be utilized in converting broadband incident radiation efficiently into electric current by cascade energy transfer (ET) between layers of different sized quantum dots, followed by charge dissociation and transport in the bottom layer. Self-assembling such cascade structures with angstrom-scale spatial precision is important for building realistic devices, and DNA-based QD self-assembly can provide an important alternative. Here we show long-range Dexter energy transfer in QD-DNA self-assembled single constructs and ensemble devices. Using photoluminescence, scanning tunneling spectroscopy, current-sensing AFM measurements in single QD-DNA cascade constructs, and temperature-dependent ensemble devices using TiO2 nanotubes, we show that Dexter energy transfer, likely mediated by the exciton-shelves formed in these QD-DNA self-assembled structures, can be used for efficient transport of energy across QD-DNA thin films.The size-dependent energy bandgaps of semiconductor nanocrystals or quantum dots (QDs) can be utilized in converting broadband incident radiation efficiently into electric current by cascade energy transfer (ET) between layers of different sized quantum dots, followed by charge dissociation and transport in the bottom layer. Self-assembling such cascade structures with angstrom-scale spatial precision is important for building realistic devices, and DNA-based QD self-assembly can provide an important alternative. Here we show long-range Dexter energy transfer in QD-DNA self-assembled single constructs and ensemble devices. Using photoluminescence, scanning tunneling spectroscopy, current-sensing AFM measurements in single QD-DNA cascade constructs, and temperature-dependent ensemble devices using TiO2 nanotubes, we show that Dexter energy transfer, likely mediated by the exciton-shelves formed in these QD-DNA self-assembled structures, can be used for efficient

  17. Tuning Surface Energy Landscapes in Metallic Quantum Films using Alkali Adsorbates

    Science.gov (United States)

    Khajetoorians, Alexander; Qin, Shengyong; Zhu, Wenguang; Eisele, Holger; Zhang, Zhenyu; Shih, Chih-Kang

    2008-03-01

    Quantum confinement shows a strong interplay with growth and kinetics in thin metal systems where the Fermi wavelength has a special relationship to the surface normal lattice constant. In the case of Pb/Si(111) systems, this relationship reveals an interesting thickness-dependent bilayer oscillation in the density of states and surface energy up to a phase. In this paper, we report on a novel effect: tuning of the energy landscape of a flat-top quantum Pb mesa using Cs adsorbates. Using STM/STS, we show that depositing Cs adsorbates on a thin Pb mesa promotes quantum stable Pb nanoislands on preferentially unstable thicknesses. Thickness-dependent nanoisland densities show a strong bilayer oscillation correlating with quantum stability. By modifying the Cs coverage on the mesa surface, we can tune the lateral size distribution of the nanoislands and the overall amplitude of the island density oscillation. Nanoisland formation is linked to a step decoration of Cs adatoms along the step edge of the nanoisland.

  18. On the definition of the partition function in quantum Regge calculus

    International Nuclear Information System (INIS)

    Nishimura, Jun

    1995-01-01

    We argue that the definition of the partition function used recently to demonstrate the failure of Regge calculus is wrong. In fact, in the one-dimensional case, we show that there is a more natural definition, with which one can reproduce the correct results. (author)

  19. CdZnTe quantum dots study: energy and phase relaxation process

    International Nuclear Information System (INIS)

    Viale, Yannick

    2004-01-01

    We present a study of the electron-hole pair energy and phase relaxation processes in a CdTe/ZnTe heterostructure, in which quantum dots are embedded. CdZnTe quantum wells with a high Zinc concentration, separated by ZnTe barriers, contain islands with a high cadmium concentration. In photoluminescence excitation spectroscopy experiments, we evidence two types of electron hole pair relaxation processes. After being excited in the CdZnTe quantum well, the pairs relax their energy by emitting a cascade of longitudinal optical phonons until they are trapped in the quantum dots. Before their radiative recombination follows an intra-dot relaxation, which is attributed to a lattice polarization mechanism of the quantum dots. It is related to the coupling between the electronic and the vibrational states. Both relaxation mechanisms are reinforced by the strong polar character of the chemical bond in II-VI compounds. Time resolved measurements of transmission variations in a pump-probe configuration allowed us to investigate the population dynamics of the electron-hole pairs during the relaxation process. We observe a relaxation time of about 2 ps for the longitudinal phonon emission cascade in the quantum well before a saturation of the quantum dot transition. We also measured an intra-box relaxation time of 25 ps. The comparison of various cascades allows us to estimate the emission time of a longitudinal optical phonon in the quantum well to be about 100 fs. In four waves mixing experiments, we observe oscillations that we attribute to quantum beats between excitonic and bi-excitonic transitions. The dephasing times that we measure as function of the density of photons shows that excitons are strongly localized in the quantum dots. The excitonic dephasing time is much shorter than the radiative lifetime and is thus controlled by the intra-dot relaxation time. (author) [fr

  20. The grand partition function Z (α,β) of a quantum system is studied, using diagrammatic representations of the perturbation expansion

    International Nuclear Information System (INIS)

    Dominicis, C. de

    1961-01-01

    The grand partition function Z (α,β) of a quantum system is studied, using diagrammatic representations of the perturbation expansion. For a fermions system, it is possible to show, by proper resummation, without approximations but under some 'regularity hypothesis', that Log Z (α,β) takes a form where, besides trivial dependences, α and β only appear through a statistical factor F k - = [1 + e -α+βε k 0 -βW k ] -1 . W k is a (real) self-consistent potential, generalized to all orders and can be defined by a stationary condition on Log Z (α,β) under variations of F k - . The thermodynamical quantities take a form analogous to the expressions Landau introduced for the Fermi liquids. The zero temperature limit (for isotropic systems) gives back Goldstone expressions for the ground state of a system. (author) [fr

  1. Energy partitioning at treeline forest and tundra sites and its sensitivity to climate change

    Energy Technology Data Exchange (ETDEWEB)

    Lafleur, P.M. [Trent Univ., Peterborough, ON (Canada); Rouse, W.R. [McMaster Univ., Hamilton, ON (Canada)

    1995-12-31

    A study was conducted to examine the inter-annual variability in energy fluxes of treeline tundra and forest and to investigate the sensitivity of forest and tundra energy balances to climatic changes. A five year record of energy balance data from contiguous wetland tundra and subarctic forest sites near Churchill, Manitoba was analyzed. The data included snow free periods only. Wind direction was used as an analogue for changing climatic conditions where onshore winds are cooler and moister than offshore winds. Sensible and latent heat fluxes at both sites varied significantly between onshore and offshore wind regimes. The differences between onshore and offshore fluxes at the tundra site were larger than for the forest. The tundra-to-forest Bowen ratios decreased with increasing vapour pressure deficit and increasing air temperature. Results suggest that energy partitioning in the wetland tundra is more sensitive to climate change than in the treeline forests. 22 refs., 1 tab., 6 figs.

  2. Set discrimination of quantum states

    International Nuclear Information System (INIS)

    Zhang Shengyu; Ying Mingsheng

    2002-01-01

    We introduce a notion of set discrimination, which is an interesting extension of quantum state discrimination. A state is secretly chosen from a number of quantum states, which are partitioned into some disjoint sets. A set discrimination is required to identify which set the given state belongs to. Several essential problems are addressed in this paper, including the condition of perfect set discrimination, unambiguous set discrimination, and in the latter case, the efficiency of the discrimination. This generalizes some important results on quantum state discrimination in the literature. A combination of state and set discrimination and the efficiency are also studied

  3. Partition thermodynamics of ionic surfactants between phosphatidylcholine vesicle and water phases

    Science.gov (United States)

    Chu, Shin-Chi; Hung, Chia-Hui; Wang, Shun-Cheng; Tsao, Heng-Kwong

    2003-08-01

    The partition of ionic surfactants (sodium alkyl sulfate and alkyl trimethyl ammonium bromide) between phosphatidylcholine vesicles and aqueous phase is investigated by simple conductometry under different temperatures. The experimental results can be well represented by the proposed regular solution theory and the thermodynamic parameters satisfy the thermodynamic consistency. The deviation from ideal partition is manifested through the effective interaction energy between lipid and surfactant wb, which is O(kT) large. It is found that wb rises as the alkyl chain is decreased for a specified head group. This is attributed to significant mismatch of chain lengths between surfactant and lipid molecules. The partition coefficient K declines with increasing temperature. The energy barrier from bilayer to aqueous phase, Δμ/kT∝ln K, is in the range of 16-26 kJ/mol. As the alkyl chain length is decreased for a given head group, Δμ is lowered by 1.3-1.5 kJ/mol per methylene group. Two independent analyses are employed to confirm this result. Using the thermodynamic parameters determined from experiments, the internal energy, entropy, and free energy of the partition process can be derived. Partition is essentially driven by the internal energy gain. The solubilizing ability, which is represented by the maximum surfactant-lipid ratio in the bilayer, Reb also decreases in accord with the K parameter. It is because the change in temperature influences the surfactant incorporation into the bilayer more than the formation of micelles.

  4. Quantum complex rotation and uniform semiclassical calculations of complex energy eigenvalues

    International Nuclear Information System (INIS)

    Connor, J.N.L.; Smith, A.D.

    1983-01-01

    Quantum and semiclassical calculations of complex energy eigenvalues have been carried out for an exponential potential of the form V 0 r 2 exp(-r) and Lennard-Jones (12,6) potential. A straightforward method, based on the complex coordinate rotation technique, is described for the quantum calculation of complex eigenenergies. For singular potentials, the method involves an inward and outward integration of the radial Schroedinger equation, followed by matching of the logarithmic derivatives of the wave functions at an intermediate point. For regular potentials, the method is simpler, as only an inward integration is required. Attention is drawn to the World War II researches of Hartree and co-workers who anticipated later quantum mechanical work on the complex rotation method. Complex eigenenergies are also calculated from a uniform semiclassical three turning point quantization formula, which allows for the proximity of the outer pair of complex turning points. Limiting cases of this formula, which are valid for very narrow or very broad widths, are also used in the calculations. We obtain good agreement between the semiclassical and quantum results. For the Lennard-Jones (12,6) potential, we compare resonance energies and widths from the complex energy definition of a resonance with those obtained from the time delay definition

  5. Quantum energy teleportation with a linear harmonic chain

    International Nuclear Information System (INIS)

    Nambu, Yasusada; Hotta, Masahiro

    2010-01-01

    A protocol of quantum energy teleportation is proposed for a one-dimensional harmonic chain. A coherent-state positive operator-valued measure (POVM) measurement is performed on coupled oscillators of the chain in the ground state accompanied by energy infusion to the system. This measurement consumes a part of the ground-state entanglement. Depending on the measurement result, a displacement operation is performed on a distant oscillator accompanied by energy extraction from the zero-point fluctuation of the oscillator. We find that the amount of consumed entanglement is bounded from below by a positive value that is proportional to the amount of teleported energy.

  6. Ion heating and energy partition at the heliospheric termination shock: hybrid simulations and analytical model

    Energy Technology Data Exchange (ETDEWEB)

    Gary, S Peter [Los Alamos National Laboratory; Winske, Dan [Los Alamos National Laboratory; Wu, Pin [BOSTON UNIV.; Schwadron, N A [BOSTON UNIV.; Lee, M [UNIV OF NEW HAMPSHIRE

    2009-01-01

    The Los Alamos hybrid simulation code is used to examine heating and the partition of dissipation energy at the perpendicular heliospheric termination shock in the presence of pickup ions. The simulations are one-dimensional in space but three-dimensional in field and velocity components, and are carried out for a range of values of pickup ion relative density. Results from the simulations show that because the solar wind ions are relatively cold upstream, the temperature of these ions is raised by a relatively larger factor than the temperature of the pickup ions. An analytic model for energy partition is developed on the basis of the Rankine-Hugoniot relations and a polytropic energy equation. The polytropic index {gamma} used in the Rankine-Hugoniot relations is varied to improve agreement between the model and the simulations concerning the fraction of downstream heating in the pickup ions as well as the compression ratio at the shock. When the pickup ion density is less than 20%, the polytropic index is about 5/3, whereas for pickup ion densities greater than 20%, the polytropic index tends toward 2.2, suggesting a fundamental change in the character of the shock, as seen in the simulations, when the pickup ion density is large. The model and the simulations both indicate for the upstream parameters chosen for Voyager 2 conditions that the pickup ion density is about 25% and the pickup ions gain the larger share (approximately 90%) of the downstream thermal pressure, consistent with Voyager 2 observations near the shock.

  7. Entanglement entropy in the quantum networks of a coupled quantum harmonic oscillator

    International Nuclear Information System (INIS)

    Jafarizadeh, M A; Nami, S; Eghbalifam, F

    2015-01-01

    We investigate the entanglement of the ground state in the quantum networks that their nodes are considered as quantum harmonic oscillators. To this aim, the Schmidt numbers and entanglement entropy between two arbitrary partitions of a network are calculated.In partitioning an arbitrary graph into two parts there are some nodes in each part which are not connected to the nodes of the other part. So, these nodes of each part can be in distinct subsets. Therefore, the graph is separated into four subsets. The nodes of the first and last subsets are those which are not connected to the nodes of the other part. In theorem 1, by using the generalized Schur complement method in these four subsets, we prove that all the graphs whose connections between the two alternative subsets are complete, have the same entropy. A large number of graphs satisfy this theorem. Then the entanglement entropy in the limit of the large coupling and large size of the system is investigated in these graphs. Also, the asymptotic behaviors of the Schmidt numbers and entanglement entropy in the limit of infinite coupling are shown.One important quantity about partitioning is the conductance of the graph. The conductance of the graph is considered in various graphs. In these graphs we compare the conductance of the graph and the entanglement entropy. (paper)

  8. Review of the inverse scattering problem at fixed energy in quantum mechanics

    Science.gov (United States)

    Sabatier, P. C.

    1972-01-01

    Methods of solution of the inverse scattering problem at fixed energy in quantum mechanics are presented. Scattering experiments of a beam of particles at a nonrelativisitic energy by a target made up of particles are analyzed. The Schroedinger equation is used to develop the quantum mechanical description of the system and one of several functions depending on the relative distance of the particles. The inverse problem is the construction of the potentials from experimental measurements.

  9. Generalised partition functions: inferences on phase space distributions

    Directory of Open Access Journals (Sweden)

    R. A. Treumann

    2016-06-01

    Full Text Available It is demonstrated that the statistical mechanical partition function can be used to construct various different forms of phase space distributions. This indicates that its structure is not restricted to the Gibbs–Boltzmann factor prescription which is based on counting statistics. With the widely used replacement of the Boltzmann factor by a generalised Lorentzian (also known as the q-deformed exponential function, where κ = 1∕|q − 1|, with κ, q ∈ R both the kappa-Bose and kappa-Fermi partition functions are obtained in quite a straightforward way, from which the conventional Bose and Fermi distributions follow for κ → ∞. For κ ≠ ∞ these are subject to the restrictions that they can be used only at temperatures far from zero. They thus, as shown earlier, have little value for quantum physics. This is reasonable, because physical κ systems imply strong correlations which are absent at zero temperature where apart from stochastics all dynamical interactions are frozen. In the classical large temperature limit one obtains physically reasonable κ distributions which depend on energy respectively momentum as well as on chemical potential. Looking for other functional dependencies, we examine Bessel functions whether they can be used for obtaining valid distributions. Again and for the same reason, no Fermi and Bose distributions exist in the low temperature limit. However, a classical Bessel–Boltzmann distribution can be constructed which is a Bessel-modified Lorentzian distribution. Whether it makes any physical sense remains an open question. This is not investigated here. The choice of Bessel functions is motivated solely by their convergence properties and not by reference to any physical demands. This result suggests that the Gibbs–Boltzmann partition function is fundamental not only to Gibbs–Boltzmann but also to a large class of generalised Lorentzian distributions as well as to the

  10. Electron Energy Level Statistics in Graphene Quantum Dots

    NARCIS (Netherlands)

    De Raedt, H.; Katsnellson, M. I.; Katsnelson, M.I.

    2008-01-01

    Motivated by recent experimental observations of size quantization of electron energy levels in graphene quantum dots [7] we investigate the level statistics in the simplest tight-binding model for different dot shapes by computer simulation. The results are in a reasonable agreement with the

  11. Does the Equivalence between Gravitational Mass and Energy Survive for a Quantum Body?

    Directory of Open Access Journals (Sweden)

    Lebed A. G.

    2012-10-01

    Full Text Available We consider the simplest quantum composite body, a hydrogen atom, in the presence of a weak external gravitational field. We show that passive gravitational mass operator of the atom in the post-Newtonian approximation of general relativity does not commute with its energy operator, taken in the absence of the field. Nevertheless, the equivalence between the expectations values of passive gravitational mass and energy is shown to survive at a macroscopic level for stationary quantum states. Breakdown of the equiva- lence between passive gravitational mass and energy at a microscopic level for station- ary quantum states can be experimentally detected by studying unusual electromagnetic radiation, emitted by the atoms, supported and moved in the Earth gravitational field with constant velocity, using spacecraft or satellite.

  12. Description of quantum coherence in thermodynamic processes requires constraints beyond free energy

    Science.gov (United States)

    Lostaglio, Matteo; Jennings, David; Rudolph, Terry

    2015-03-01

    Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement.

  13. Quantum Field Theory of Interacting Dark Matter/Dark Energy: Dark Monodromies

    CERN Document Server

    D'Amico, Guido; Kaloper, Nemanja

    2016-11-28

    We discuss how to formulate a quantum field theory of dark energy interacting with dark matter. We show that the proposals based on the assumption that dark matter is made up of heavy particles with masses which are very sensitive to the value of dark energy are strongly constrained. Quintessence-generated long range forces and radiative stability of the quintessence potential require that such dark matter and dark energy are completely decoupled. However, if dark energy and a fraction of dark matter are very light axions, they can have significant mixings which are radiatively stable and perfectly consistent with quantum field theory. Such models can naturally occur in multi-axion realizations of monodromies. The mixings yield interesting signatures which are observable and are within current cosmological limits but could be constrained further by future observations.

  14. Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

    Science.gov (United States)

    El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

    2018-03-01

    In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

  15. Magnetic field effects on the quantum wire energy spectrum and Green's function

    International Nuclear Information System (INIS)

    Morgenstern Horing, Norman J.

    2010-01-01

    We analyze the energy spectrum and propagation of electrons in a quantum wire on a 2D host medium in a normal magnetic field, representing the wire by a 1D Dirac delta function potential which would support just a single subband state in the absence of the magnetic field. The associated Schroedinger Green's function for the quantum wire is derived in closed form in terms of known functions and the Landau quantized subband energy spectrum is examined.

  16. Scaling of the Coulomb Energy Due to Quantum Fluctuations in the Charge on a Quantum Dot

    DEFF Research Database (Denmark)

    Molenkamp, L. W; Flensberg, Karsten; Kemerink, M.

    1995-01-01

    The charging energy of a quantum dot is measured through the effect of its potential on the conductance of a second dot. This technique allows a measurement of the scaling of the dot's charging energy with the conductance of the tunnel barriers leading to the dot. We find that the charging energy...... scales quadratically with the reflection probability of the barriers. The observed power law agrees with a recent theory....

  17. Quantum computing applied to calculations of molecular energies

    Czech Academy of Sciences Publication Activity Database

    Pittner, Jiří; Veis, L.

    2011-01-01

    Roč. 241, - (2011), 151-phys ISSN 0065-7727. [National Meeting and Exposition of the American-Chemical-Society (ACS) /241./. 27.03.2011-31.03.2011, Anaheim] Institutional research plan: CEZ:AV0Z40400503 Keywords : molecular energie * quantum computers Subject RIV: CF - Physical ; Theoretical Chemistry

  18. Time–energy high-dimensional one-side device-independent quantum key distribution

    International Nuclear Information System (INIS)

    Bao Hai-Ze; Bao Wan-Su; Wang Yang; Chen Rui-Ke; Ma Hong-Xin; Zhou Chun; Li Hong-Wei

    2017-01-01

    Compared with full device-independent quantum key distribution (DI-QKD), one-side device-independent QKD (1sDI-QKD) needs fewer requirements, which is much easier to meet. In this paper, by applying recently developed novel time–energy entropic uncertainty relations, we present a time–energy high-dimensional one-side device-independent quantum key distribution (HD-QKD) and provide the security proof against coherent attacks. Besides, we connect the security with the quantum steering. By numerical simulation, we obtain the secret key rate for Alice’s different detection efficiencies. The results show that our protocol can performance much better than the original 1sDI-QKD. Furthermore, we clarify the relation among the secret key rate, Alice’s detection efficiency, and the dispersion coefficient. Finally, we simply analyze its performance in the optical fiber channel. (paper)

  19. Quantum vacuum energy in general relativity

    Energy Technology Data Exchange (ETDEWEB)

    Henke, Christian [University of Technology at Clausthal, Department of Mathematics, Clausthal-Zellerfeld (Germany)

    2018-02-15

    The paper deals with the scale discrepancy between the observed vacuum energy in cosmology and the theoretical quantum vacuum energy (cosmological constant problem). Here, we demonstrate that Einstein's equation and an analogy to particle physics leads to the first physical justification of the so-called fine-tuning problem. This fine-tuning could be automatically satisfied with the variable cosmological term Λ(a) = Λ{sub 0} + Λ{sub 1}a{sup -(4-ε)}, 0 < ε << 1, where a is the scale factor. As a side effect of our solution of the cosmological constant problem, the dynamical part of the cosmological term generates an attractive force and solves the missing mass problem of dark matter. (orig.)

  20. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  1. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  2. Does the Equivalence between Gravitational Mass and Energy Survive for a Composite Quantum Body?

    Directory of Open Access Journals (Sweden)

    A. G. Lebed

    2014-01-01

    Full Text Available We define passive and active gravitational mass operators of the simplest composite quantum body—a hydrogen atom. Although they do not commute with its energy operator, the equivalence between the expectation values of passive and active gravitational masses and energy is shown to survive for stationary quantum states. In our calculations of passive gravitational mass operator, we take into account not only kinetic and Coulomb potential energies but also the so-called relativistic corrections to electron motion in a hydrogen atom. Inequivalence between passive and active gravitational masses and energy at a macroscopic level is demonstrated to reveal itself as time-dependent oscillations of the expectation values of the gravitational masses for superpositions of stationary quantum states. Breakdown of the equivalence between passive gravitational mass and energy at a microscopic level reveals itself as unusual electromagnetic radiation, emitted by macroscopic ensemble of hydrogen atoms, moved by small spacecraft with constant velocity in the Earth’s gravitational field. We suggest the corresponding experiment on the Earth’s orbit to detect this radiation, which would be the first direct experiment where quantum effects in general relativity are observed.

  3. D{sup -} energy spectrum in toroidal quantum ring

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, C A; Gutierrez, W; Garcia, L F [Universidad Industrial de Santander, Bucaramanga (Colombia); Marin, J H, E-mail: jhmarin@unal.edu.c [Universidad Nacional-Colombia, Medellin-Colombia, AA3840 (Colombia)

    2009-05-01

    The structure of energy spectrum of the negative donor centre in a toroidal-shaped quantum ring with two different morphologies of the cross-section is analyzed. By using the adiabatic procedure we have deduced a one-dimensional wave equation with periodic conditions which describes the low-lying energy levels related to the electrons rotation around the symmetry axis. Our results are in good agreement with those previously obtained as the size of the ring cross-section tends to zero.

  4. Description of quantum coherence in thermodynamic processes requires constraints beyond free energy

    Science.gov (United States)

    Lostaglio, Matteo; Jennings, David; Rudolph, Terry

    2015-01-01

    Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement. PMID:25754774

  5. Unique Path Partitions

    DEFF Research Database (Denmark)

    Bessenrodt, Christine; Olsson, Jørn Børling; Sellers, James A.

    2013-01-01

    We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions.......We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions....

  6. Thermodynamical inequivalence of quantum stress-energy and spin tensors

    International Nuclear Information System (INIS)

    Becattini, F.; Tinti, L.

    2011-01-01

    It is shown that different couples of stress-energy and spin tensors of quantum-relativistic fields, which would be otherwise equivalent, are in fact inequivalent if the second law of thermodynamics is taken into account. The proof of the inequivalence is based on the analysis of a macroscopic system at full thermodynamical equilibrium with a macroscopic total angular momentum and a specific instance is given for the free Dirac field, for which we show that the canonical and Belinfante stress-energy tensors are not equivalent. For this particular case, we show that the difference between the predicted angular momentum densities for a rotating system at full thermodynamical equilibrium is a quantum effect, persisting in the nonrelativistic limit, corresponding to a polarization of particles of the order of (ℎ/2π)ω/KT (ω being the angular velocity) and could in principle be measured experimentally. This result implies that specific stress-energy and spin tensors are physically meaningful even in the absence of gravitational coupling and raises the issue of finding the thermodynamically right (or the right class of) tensors. We argue that the maximization of the thermodynamic potential theoretically allows us to discriminate between two different couples, yet for the present we are unable to provide a theoretical method to single out the best couple of tensors in a given quantum field theory. The existence of a nonvanishing spin tensor would have major consequences in hydrodynamics, gravity and cosmology.

  7. Coulomb blockade in hierarchical quantum Hall droplets

    International Nuclear Information System (INIS)

    Cappelli, Andrea; Georgiev, Lachezar S; Zemba, Guillermo R

    2009-01-01

    The degeneracy of energy levels in a quantum dot of Hall fluid, leading to conductance peaks, can be readily derived from the partition functions of conformal field theory. Their complete expressions can be found for Hall states with both Abelian and non-Abelian statistics, upon adapting known results for the annulus geometry. We analyze the Abelian states with hierarchical filling fractions, ν = m/(mp ± 1), and find a non-trivial pattern of conductance peaks. In particular, each one of them occurs with a characteristic multiplicity, which is due to the extended symmetry of the m-folded edge. Experimental tests of the multiplicity can shed more light on the dynamics of this composite edge. (fast track communication)

  8. Calculating Casimir energies in renormalizable quantum field theory

    International Nuclear Information System (INIS)

    Milton, Kimball A.

    2003-01-01

    Quantum vacuum energy has been known to have observable consequences since 1948 when Casimir calculated the force of attraction between parallel uncharged plates, a phenomenon confirmed experimentally with ever increasing precision. Casimir himself suggested that a similar attractive self-stress existed for a conducting spherical shell, but Boyer obtained a repulsive stress. Other geometries and higher dimensions have been considered over the years. Local effects, and divergences associated with surfaces and edges were studied by several authors. Quite recently, Graham et al. have reexamined such calculations, using conventional techniques of perturbative quantum field theory to remove divergences, and have suggested that previous self-stress results may be suspect. Here we show that the examples considered in their work are misleading; in particular, it is well known that in two space dimensions a circular boundary has a divergence in the Casimir energy for massless fields, while for general spatial dimension D not equal to an even integer the corresponding Casimir energy arising from massless fields interior and exterior to a hyperspherical shell is finite. It has also long been recognized that the Casimir energy for massive fields is divergent for curved boundaries. These conclusions are reinforced by a calculation of the relevant leading Feynman diagram in D and in three dimensions. There is therefore no doubt of the validity of the conventional finite Casimir calculations

  9. Modeling the cooperative energy transfer dynamics of quantum cutting for solar cells

    NARCIS (Netherlands)

    Rabouw, Freddy T.; Meijerink, Andries

    2015-01-01

    Cooperative energy transfer (ET) is a quantum cutting (or downconversion) process where a luminescent center splits its excited state energy in two by simultaneous transfer to two nearby acceptor centers, thus yielding two low-energy photons for each high-energy photon absorbed. It has the potential

  10. Dynamic partitioning of a glycosyl-phosphatidylinositol-anchored protein in glycosphingolipid-rich microdomains imaged by single-quantum dot tracking.

    Science.gov (United States)

    Pinaud, Fabien; Michalet, Xavier; Iyer, Gopal; Margeat, Emmanuel; Moore, Hsiao-Ping; Weiss, Shimon

    2009-06-01

    Recent experimental developments have led to a revision of the classical fluid mosaic model proposed by Singer and Nicholson more than 35 years ago. In particular, it is now well established that lipids and proteins diffuse heterogeneously in cell plasma membranes. Their complex motion patterns reflect the dynamic structure and composition of the membrane itself, as well as the presence of the underlying cytoskeleton scaffold and that of the extracellular matrix. How the structural organization of plasma membranes influences the diffusion of individual proteins remains a challenging, yet central, question for cell signaling and its regulation. Here we have developed a raft-associated glycosyl-phosphatidyl-inositol-anchored avidin test probe (Av-GPI), whose diffusion patterns indirectly report on the structure and dynamics of putative raft microdomains in the membrane of HeLa cells. Labeling with quantum dots (qdots) allowed high-resolution and long-term tracking of individual Av-GPI and the classification of their various diffusive behaviors. Using dual-color total internal reflection fluorescence (TIRF) microscopy, we studied the correlation between the diffusion of individual Av-GPI and the location of glycosphingolipid GM1-rich microdomains and caveolae. We show that Av-GPI exhibit a fast and a slow diffusion regime in different membrane regions, and that slowing down of their diffusion is correlated with entry in GM1-rich microdomains located in close proximity to, but distinct, from caveolae. We further show that Av-GPI dynamically partition in and out of these microdomains in a cholesterol-dependent manner. Our results provide direct evidence that cholesterol-/sphingolipid-rich microdomains can compartmentalize the diffusion of GPI-anchored proteins in living cells and that the dynamic partitioning raft model appropriately describes the diffusive behavior of some raft-associated proteins across the plasma membrane.

  11. Off-diagonal expansion quantum Monte Carlo.

    Science.gov (United States)

    Albash, Tameem; Wagenbreth, Gene; Hen, Itay

    2017-12-01

    We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a decomposition of the quantum partition function that can be viewed as a series expansion about its classical part. We argue that the algorithm not only provides a theoretical advancement in the field of quantum Monte Carlo simulations, but is optimally suited to tackle quantum many-body systems that exhibit a range of behaviors from "fully quantum" to "fully classical," in contrast to many existing methods. We demonstrate the advantages, sometimes by orders of magnitude, of the technique by comparing it against existing state-of-the-art schemes such as path integral quantum Monte Carlo and stochastic series expansion. We also illustrate how our method allows for the unification of quantum and classical thermal parallel tempering techniques into a single algorithm and discuss its practical significance.

  12. System study on partitioning and transmutation of long-lived isotopes

    International Nuclear Information System (INIS)

    Szieberth, M.

    2001-01-01

    The management of long-lived isotopes - transuranium elements and fission products - produced in nuclear reactors is a problem that substantially affects the public acceptance of nuclear energy, and may influence the long-term hazard caused by energy production. Partitioning and transmutation of spent fuel materials offer a suitable solution to this problem. After the nuclear community had realised this fact, the number of publications on this topic significantly increased but there is still a lack of studies that include the analysis of not only one instrument but also the whole nuclear energy system. However, from the viewpoint of Partitioning and transmutation's implementation a substantial question is the cooperation of plants optimised for energy generation and others for partitioning or transmutation. In order to analyse this problem, the schemes of different systems are framed and their mathematical models are worked out. The systems are evaluated through the long-term risks caused by the waste deposited in final disposal, and the risks are described by a newly defined quantity, the residual hazard index. (author)

  13. A theoretical study of exciton energy levels in laterally coupled quantum dots

    International Nuclear Information System (INIS)

    Barticevic, Z; Pacheco, M; Duque, C A; Oliveira, L E

    2009-01-01

    A theoretical study of the electronic and optical properties of laterally coupled quantum dots, under applied magnetic fields perpendicular to the plane of the dots, is presented. The exciton energy levels of such laterally coupled quantum-dot systems, together with the corresponding wavefunctions and eigenvalues, are obtained in the effective-mass approximation by using an extended variational approach in which the magnetoexciton states are simultaneously obtained. One achieves the expected limits of one single quantum dot, when the distance between the dots is zero, and of two uncoupled quantum dots, when the distance between the dots is large enough. Moreover, present calculations-with appropriate structural dimensions of the two-dot system-are shown to be in agreement with measurements in self-assembled laterally aligned GaAs quantum-dot pairs and naturally/accidentally occurring coupled quantum dots in GaAs/GaAlAs quantum wells.

  14. On the relativistic partition function of ideal gases

    International Nuclear Information System (INIS)

    Sinyukov, Yu.M.

    1983-01-01

    The covariant partition function method for ideal Boltzmann and Bose gases is developed within quantum field theory. This method is a basis to describe the statistical and thermodynamical properties of the gases in canonical, grand canonical and pressure ensembles in an arbitrary inertial system. It is shown that when statistical systems are described relativistically it is very important to take into account the boundary conditions. This is due to the fact that an equilibrium system is not closed mechanically. The results may find application in hadron physics. (orig.)

  15. Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

    Directory of Open Access Journals (Sweden)

    Akira Takada

    2018-03-01

    Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

  16. Quantum mechanical look at the radioactive-like decay of metastable dark energy

    Energy Technology Data Exchange (ETDEWEB)

    Szydlowski, Marek [Jagiellonian University, Astronomical Observatory, Krakow (Poland); Jagiellonian University, Mark Kac Complex Systems Research Centre, Krakow (Poland); Stachowski, Aleksander [Jagiellonian University, Astronomical Observatory, Krakow (Poland); Urbanowski, Krzysztof [University of Zielona Gora, Institute of Physics, Zielona Gora (Poland)

    2017-12-15

    We derive the Shafieloo, Hazra, Sahni and Starobinsky (SHSS) phenomenological formula for the radioactive-like decay of metastable dark energy directly from the principles of quantum mechanics. To this aim we use the Fock-Krylov theory of quantum unstable states. We obtain deeper insight on the decay process as having three basic phases: the phase of radioactive decay, the next phase of damping oscillations, and finally the phase of power-law decay. We consider the cosmological model with matter and dark energy in the form of decaying metastable dark energy and study its dynamics in the framework of non-conservative cosmology with an interacting term determined by the running cosmological parameter. We study the cosmological implications of metastable dark energy and estimate the characteristic time of ending of the radioactive-like decay epoch to be 2.2 x 10{sup 4} of the present age of the Universe. We also confront the model with astronomical data which show that the model is in good agreement with the observations. Our general conclusion is that we are living in the epoch of the radioactive-like decay of metastable dark energy which is a relict of the quantum age of the Universe. (orig.)

  17. Analysing surface energy balance closure and partitioning over a semi-arid savanna FLUXNET site in Skukuza, Kruger National Park, South Africa

    Science.gov (United States)

    Majozi, Nobuhle P.; Mannaerts, Chris M.; Ramoelo, Abel; Mathieu, Renaud; Nickless, Alecia; Verhoef, Wouter

    2017-07-01

    Flux towers provide essential terrestrial climate, water, and radiation budget information needed for environmental monitoring and evaluation of climate change impacts on ecosystems and society in general. They are also intended for calibration and validation of satellite-based Earth observation and monitoring efforts, such as assessment of evapotranspiration from land and vegetation surfaces using surface energy balance approaches. In this paper, 15 years of Skukuza eddy covariance data, i.e. from 2000 to 2014, were analysed for surface energy balance closure (EBC) and partitioning. The surface energy balance closure was evaluated using the ordinary least squares regression (OLS) of turbulent energy fluxes (sensible (H) and latent heat (LE)) against available energy (net radiation (Rn) less soil heat (G)), and the energy balance ratio (EBR). Partitioning of the surface energy during the wet and dry seasons was also investigated, as well as how it is affected by atmospheric vapour pressure deficit (VPD), and net radiation. After filtering years with low-quality data (2004-2008), our results show an overall mean EBR of 0.93. Seasonal variations of EBR also showed the wet season with 1.17 and spring (1.02) being closest to unity, with the dry season (0.70) having the highest imbalance. Nocturnal surface energy closure was very low at 0.26, and this was linked to low friction velocity during night-time, with results showing an increase in closure with increase in friction velocity. The energy partition analysis showed that sensible heat flux is the dominant portion of net radiation, especially between March and October, followed by latent heat flux, and lastly the soil heat flux, and during the wet season where latent heat flux dominated sensible heat flux. An increase in net radiation was characterized by an increase in both LE and H, with LE showing a higher rate of increase than H in the wet season, and the reverse happening during the dry season. An increase in

  18. Coherent excitation-energy transfer and quantum entanglement in a dimer

    International Nuclear Information System (INIS)

    Liao Jieqiao; Sun, C. P.; Huang Jinfeng; Kuang Leman

    2010-01-01

    We study coherent energy transfer of a single excitation and quantum entanglement in a dimer, which consists of a donor and an acceptor modeled by two two-level systems. Between the donor and the acceptor, there exists a dipole-dipole interaction, which provides the physical mechanism for coherent energy transfer and entanglement generation. The donor and the acceptor couple to two independent heat baths with diagonal couplings that do not dissipate the energy of the noncoupling dimer. Special attention is paid to the effect on single-excitation energy transfer and entanglement generation of the energy detuning between the donor and the acceptor and the temperatures of the two heat baths. It is found that, the probability for single-excitation energy transfer largely depends on the energy detuning in the low temperature limit. Concretely, the positive and negative energy detunings can increase and decrease the probability at steady state, respectively. In the high temperature limit, however, the effect of the energy detuning on the probability is negligibly small. We also find that the probability is negligibly dependent on the bath temperature difference of the two heat baths. In addition, it is found that quantum entanglement can be generated in the process of coherent energy transfer. As the bath temperature increases, the generated steady-state entanglement decreases. For a given bath temperature, the steady-state entanglement decreases with the increase of the absolute value of the energy detuning.

  19. Breakdown of the equivalence between gravitational mass and energy for a composite quantum body

    International Nuclear Information System (INIS)

    Lebed, Andrei G

    2014-01-01

    The simplest quantum composite body, a hydrogen atom, is considered in the presence of a weak external gravitational field. We define an operator for the passive gravitational mass of the atom in the post-Newtonian approximation of the general relativity and show that it does not commute with its energy operator. Nevertheless, the equivalence between the expectation values of the mass and energy is shown to survive at a macroscopic level for stationary quantum states. Breakdown of the equivalence between passive gravitational mass and energy at a microscopic level for stationary quantum states can be experimentally detected by studying unusual electromagnetic radiation, emitted by the atoms, supported by and moving in the Earth's gravitational field with constant velocity, using spacecraft or satellite

  20. Excitation energy partition in deeply inelastic collisions between 40Ar and Ag at 27 MeV per nucleon

    International Nuclear Information System (INIS)

    Borderie, B.; Rivet, M.F.; Cabot, C.; Fuchs, H.; Gardes, D.; Hanappe, F.; Jouan, D.; Montoya, M.

    1991-01-01

    The dynamics of the two partners produced in dissipative collisions has been experimentally studied for the system 40 Ar+Ag at 27 MeV per nucleon. Primary masses of the fragments can then be calculated; the excitation energy partition between the two fragments is derived from the number of particles evaporated by each fragment. We found that this division evolves from equipartition to a repartition close to thermal equilibrium in the excitation energy range 300-350 MeV or interaction times 5-10x10 -22 s. (orig.)

  1. Direct Observation of Electron-to-Hole Energy Transfer in CdSe Quantum Dots

    NARCIS (Netherlands)

    Hendry, E.; Koeberg, M.; Wang, F.; Zhang, H.; de Mello Donega, C.; Vanmaekelbergh, D.; Bonn, M.

    2006-01-01

    We independently determine the subpicosecond cooling rates for holes and electrons in CdSe quantum dots. Time-resolved luminescence and terahertz spectroscopy reveal that the rate of hole cooling, following photoexcitation of the quantum dots, depends critically on the electron excess energy. This

  2. Partitioning of organochlorine pesticides from water to polyethylene passive samplers

    International Nuclear Information System (INIS)

    Hale, Sarah E.; Martin, Timothy J.; Goss, Kai-Uwe; Arp, Hans Peter H.; Werner, David

    2010-01-01

    The mass transfer rates and equilibrium partitioning behaviour of 14 diverse organochlorine pesticides (OCP) between water and polyethylene (PE) passive samplers, cut from custom made PE sheets and commercial polyethylene plastic bags, were quantified. Overall mass transfer coefficients, k O , estimated PE membrane diffusion coefficients, D PE , and PE-water partitioning coefficients, K PE-water, are reported. In addition, the partitioning of three polycyclic aromatic hydrocarbons (PAHs) from water to PE is quantified and compared with literature values. K PE-water values agreed mostly within a factor of two for both passive samplers and also with literature values for the reference PAHs. As PE is expected to exhibit similar sorption behaviour to long-chain alkanes, PE-water partitioning coefficients were compared to hexadecane-water partitioning coefficients estimated with the SPARC online calculator, COSMOtherm and a polyparameter linear free energy relationship based on the Abraham approach. The best correlation for all compounds tested was with COSMOtherm estimated hexadecane-water partitioning coefficients. - The partitioning of organochlorine pesticides between single phase polyethylene passive samplers and water is quantified.

  3. The SOS model partition function and the elliptic weight functions

    International Nuclear Information System (INIS)

    Pakuliak, S; Silantyev, A; Rubtsov, V

    2008-01-01

    We generalized a recent observation (Khoroshkin and Pakuliak 2005 Theor. Math. Phys. 145 1373) that the partition function of the six-vertex model with domain wall boundary conditions can be obtained from a calculation of projections of the product of total currents in the quantum affine algebra U q (sl 2 -hat) in its current realization. A generalization is done for the elliptic current algebra (Enriquez and Felder 1998 Commun. Math. Phys. 195 651, Enriquez and Rubtsov 1997 Ann. Sci. Ecole Norm. Sup. 30 821). The projections of the product of total currents in this case are calculated explicitly and are presented as integral transforms of a product of the total currents. It is proved that the integral kernel of this transform is proportional to the partition function of the SOS model with domain wall boundary conditions

  4. Dynamic and statistical thermodynamic properties of electrons in a thin quantum well in a parallel magnetic field

    International Nuclear Information System (INIS)

    Horing, Norman J Morgenstern; Glasser, M Lawrence; Dong Bing

    2006-01-01

    We carry out a theoretical analysis of quantum well electron dynamics in a parallel magnetic field of arbitrary strength, for a narrow quantum well. An explicit analytical closed-form solution is obtained for the retarded Green's function for Landau-quantized electrons in skipping states of motion between the narrow well walls, effectively involving in-plane translational motion, and hybridized with the zero-field lowest subband energy eigenstate. The dispersion relation for electron eigenstates is examined, and we find a plethora of such discrete Landau-quantized modes coupled to the subband state. In the weak field limit, we determine low magnetic field corrections to the lowest subband state energy associated with close-packing (phase averaging) of the Landau levels in the skipping states. At higher fields the discrete energy levels of the well lie between adjacent Landau levels, but they are not equally spaced, albeit undamped. Furthermore, we also examine the associated thermodynamic Green's function for Landau-quantized electrons in a thin quantum well in a parallel magnetic field and construct the (grand) thermodynamic potential (logarithm of the grand partition function) determining the statistical thermodynamics of the system

  5. Quantum measurement information as a key to energy extraction from local vacuums

    International Nuclear Information System (INIS)

    Hotta, Masahiro

    2008-01-01

    In this paper, a protocol is proposed in which energy extraction from local vacuum states is possible by using quantum measurement information for the vacuum state of quantum fields. In the protocol, Alice, who stays at a spatial point, excites the ground state of the fields by a local measurement. Consequently, wave packets generated by Alice's measurement propagate the vacuum to spatial infinity. Let us assume that Bob stays away from Alice and fails to catch the excitation energy when the wave packets pass in front of him. Next Alice announces her local measurement result to Bob by classical communication. Bob performs a local unitary operation depending on the measurement result. In this process, positive energy is released from the fields to Bob's apparatus of the unitary operation. In the field systems, wave packets are generated with negative energy around Bob's location. Soon afterwards, the negative-energy wave packets begin to chase after the positive-energy wave packets generated by Alice and form loosely bound states.

  6. Calculation of the octanol-water partition coefficient of armchair polyhex BN nanotubes

    Science.gov (United States)

    Mohammadinasab, E.; Pérez-Sánchez, H.; Goodarzi, M.

    2017-12-01

    A predictive model for determination partition coefficient (log P) of armchair polyhex BN nanotubes by using simple descriptors was built. The relationship between the octanol-water log P and quantum chemical descriptors, electric moments, and topological indices of some armchair polyhex BN nanotubes with various lengths and fixed circumference are represented. Based on density functional theory electric moments and physico-chemical properties of those nanotubes are calculated.

  7. Quantum Chromodynamics and Nuclear Physics at Extreme Energy Density

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, B.; Bass, S.A.; Chandrasekharan, S.; Mehen, T.; Springer, R.P.

    2005-11-07

    The report describes research in theoretical quantum chromodynamics, including effective field theories of hadronic interactions, properties of strongly interacting matter at extreme energy density, phenomenology of relativistic heavy ion collisions, and algorithms and numerical simulations of lattice gauge theory and other many-body systems.

  8. Quantum Chromodynamics and Nuclear Physics at Extreme Energy Density

    International Nuclear Information System (INIS)

    Mueller, B.; Bass, S.A.; Chandrasekharan, S.; Mehen, T.; Springer, R.P.

    2005-01-01

    The report describes research in theoretical quantum chromodynamics, including effective field theories of hadronic interactions, properties of strongly interacting matter at extreme energy density, phenomenology of relativistic heavy ion collisions, and algorithms and numerical simulations of lattice gauge theory and other many-body systems.

  9. Postselection technique for quantum channels with applications to quantum cryptography.

    Science.gov (United States)

    Christandl, Matthias; König, Robert; Renner, Renato

    2009-01-16

    We propose a general method for studying properties of quantum channels acting on an n-partite system, whose action is invariant under permutations of the subsystems. Our main result is that, in order to prove that a certain property holds for an arbitrary input, it is sufficient to consider the case where the input is a particular de Finetti-type state, i.e., a state which consists of n identical and independent copies of an (unknown) state on a single subsystem. Our technique can be applied to the analysis of information-theoretic problems. For example, in quantum cryptography, we get a simple proof for the fact that security of a discrete-variable quantum key distribution protocol against collective attacks implies security of the protocol against the most general attacks. The resulting security bounds are tighter than previously known bounds obtained with help of the exponential de Finetti theorem.

  10. Many-Body Quantum Chaos: Analytic Connection to Random Matrix Theory

    Science.gov (United States)

    Kos, Pavel; Ljubotina, Marko; Prosen, Tomaž

    2018-04-01

    A key goal of quantum chaos is to establish a relationship between widely observed universal spectral fluctuations of clean quantum systems and random matrix theory (RMT). Most prominent features of such RMT behavior with respect to a random spectrum, both encompassed in the spectral pair correlation function, are statistical suppression of small level spacings (correlation hole) and enhanced stiffness of the spectrum at large spectral ranges. For single-particle systems with fully chaotic classical counterparts, the problem has been partly solved by Berry [Proc. R. Soc. A 400, 229 (1985), 10.1098/rspa.1985.0078] within the so-called diagonal approximation of semiclassical periodic-orbit sums, while the derivation of the full RMT spectral form factor K (t ) (Fourier transform of the spectral pair correlation function) from semiclassics has been completed by Müller et al. [Phys. Rev. Lett. 93, 014103 (2004), 10.1103/PhysRevLett.93.014103]. In recent years, the questions of long-time dynamics at high energies, for which the full many-body energy spectrum becomes relevant, are coming to the forefront even for simple many-body quantum systems, such as locally interacting spin chains. Such systems display two universal types of behaviour which are termed the "many-body localized phase" and "ergodic phase." In the ergodic phase, the spectral fluctuations are excellently described by RMT, even for very simple interactions and in the absence of any external source of disorder. Here we provide a clear theoretical explanation for these observations. We compute K (t ) in the leading two orders in t and show its agreement with RMT for nonintegrable, time-reversal invariant many-body systems without classical counterparts, a generic example of which are Ising spin-1 /2 models in a periodically kicking transverse field. In particular, we relate K (t ) to partition functions of a class of twisted classical Ising models on a ring of size t ; hence, the leading-order RMT behavior

  11. Bayesian simultaneous equation models for the analysis of energy intake and partitioning in growing pigs

    DEFF Research Database (Denmark)

    Strathe, Anders Bjerring; Jørgensen, Henry; Kebreab, E

    2012-01-01

    ABSTRACT SUMMARY The objective of the current study was to develop Bayesian simultaneous equation models for modelling energy intake and partitioning in growing pigs. A key feature of the Bayesian approach is that parameters are assigned prior distributions, which may reflect the current state...... of nature. In the models, rates of metabolizable energy (ME) intake, protein deposition (PD) and lipid deposition (LD) were treated as dependent variables accounting for residuals being correlated. Two complementary equation systems were used to model ME intake (MEI), PD and LD. Informative priors were...... developed, reflecting current knowledge about metabolic scaling and partial efficiencies of PD and LD rates, whereas flat non-informative priors were used for the reminder of the parameters. The experimental data analysed originate from a balance and respiration trial with 17 cross-bred pigs of three...

  12. Quantum entanglement dependence on bifurcations and scars in non-autonomous systems. The case of quantum kicked top

    International Nuclear Information System (INIS)

    Stamatiou, George; Ghikas, Demetris P.K.

    2007-01-01

    Properties related to entanglement in quantum systems, are known to be associated with distinct properties of the corresponding classical systems, as for example stability, integrability and chaos. This means that the detailed topology, both local and global, of the classical phase space may reveal, or influence, the entangling power of the quantum system. As it has been shown in the literature, the bifurcation points, in autonomous dynamical systems, play a crucial role for the onset of entanglement. Similarly, the existence of scars among the quantum states seems to be a factor in the dynamics of entanglement. Here we study these issues for a non-autonomous system, the quantum kicked top, as a collective model of a multi-qubit system. Using the bifurcation diagram of the corresponding classical limit (the classical kicked top), we analyzed the pair-wise and the bi-partite entanglement of the qubits and their relation to scars, as a function of the critical parameter of the system. We found that the pair-wise entanglement and pair-wise negativity show a strong maximum precisely at the bifurcation points, while the bi-partite entanglement changes slope at these points. We have also investigated the connection between entanglement and the fixed points on the branch of the bifurcation diagram between the two first bifurcation points and we found that the entanglement measures take their extreme values precisely on these points. We conjecture that our results on this behavior of entanglement is generic for many quantum systems with a nonlinear classical analogue

  13. Quantum fields and processes a combinatorial approach

    CERN Document Server

    Gough, John

    2018-01-01

    Wick ordering of creation and annihilation operators is of fundamental importance for computing averages and correlations in quantum field theory and, by extension, in the Hudson-Parthasarathy theory of quantum stochastic processes, quantum mechanics, stochastic processes, and probability. This book develops the unified combinatorial framework behind these examples, starting with the simplest mathematically, and working up to the Fock space setting for quantum fields. Emphasizing ideas from combinatorics such as the role of lattice of partitions for multiple stochastic integrals by Wallstrom-Rota and combinatorial species by Joyal, it presents insights coming from quantum probability. It also introduces a 'field calculus' which acts as a succinct alternative to standard Feynman diagrams and formulates quantum field theory (cumulant moments, Dyson-Schwinger equation, tree expansions, 1-particle irreducibility) in this language. Featuring many worked examples, the book is aimed at mathematical physicists, quant...

  14. Quantum fields and processes a combinatorial approach

    CERN Document Server

    Gough, John

    2018-01-01

    Wick ordering of creation and annihilation operators is of fundamental importance for computing averages and correlations in quantum field theory and, by extension, in the Hudson–Parthasarathy theory of quantum stochastic processes, quantum mechanics, stochastic processes, and probability. This book develops the unified combinatorial framework behind these examples, starting with the simplest mathematically, and working up to the Fock space setting for quantum fields. Emphasizing ideas from combinatorics such as the role of lattice of partitions for multiple stochastic integrals by Wallstrom–Rota and combinatorial species by Joyal, it presents insights coming from quantum probability. It also introduces a 'field calculus' which acts as a succinct alternative to standard Feynman diagrams and formulates quantum field theory (cumulant moments, Dyson–Schwinger equation, tree expansions, 1-particle irreducibility) in this language. Featuring many worked examples, the book is aimed at mathematical physicists,...

  15. Nature does not rely on long-lived electronic quantum coherence for photosynthetic energy transfer

    Science.gov (United States)

    Duan, Hong-Guang; Prokhorenko, Valentyn I.; Cogdell, Richard J.; Ashraf, Khuram; Stevens, Amy L.; Thorwart, Michael; Miller, R. J. Dwayne

    2017-08-01

    During the first steps of photosynthesis, the energy of impinging solar photons is transformed into electronic excitation energy of the light-harvesting biomolecular complexes. The subsequent energy transfer to the reaction center is commonly rationalized in terms of excitons moving on a grid of biomolecular chromophores on typical timescales Olson protein, in which interference oscillatory signals up to 1.5 ps were reported and interpreted as direct evidence of exceptionally long-lived electronic quantum coherence. Here, we show that the optical 2D photon echo spectra of this complex at ambient temperature in aqueous solution do not provide evidence of any long-lived electronic quantum coherence, but confirm the orthodox view of rapidly decaying electronic quantum coherence on a timescale of 60 fs. Our results can be considered as generic and give no hint that electronic quantum coherence plays any biofunctional role in real photoactive biomolecular complexes. Because in this structurally well-defined protein the distances between bacteriochlorophylls are comparable to those of other light-harvesting complexes, we anticipate that this finding is general and directly applies to even larger photoactive biomolecular complexes.

  16. Development of polyparameter linear free energy relationship models for octanol-air partition coefficients of diverse chemicals.

    Science.gov (United States)

    Jin, Xiaochen; Fu, Zhiqiang; Li, Xuehua; Chen, Jingwen

    2017-03-22

    The octanol-air partition coefficient (K OA ) is a key parameter describing the partition behavior of organic chemicals between air and environmental organic phases. As the experimental determination of K OA is costly, time-consuming and sometimes limited by the availability of authentic chemical standards for the compounds to be determined, it becomes necessary to develop credible predictive models for K OA . In this study, a polyparameter linear free energy relationship (pp-LFER) model for predicting K OA at 298.15 K and a novel model incorporating pp-LFERs with temperature (pp-LFER-T model) were developed from 795 log K OA values for 367 chemicals at different temperatures (263.15-323.15 K), and were evaluated with the OECD guidelines on QSAR model validation and applicability domain description. Statistical results show that both models are well-fitted, robust and have good predictive capabilities. Particularly, the pp-LFER model shows a strong predictive ability for polyfluoroalkyl substances and organosilicon compounds, and the pp-LFER-T model maintains a high predictive accuracy within a wide temperature range (263.15-323.15 K).

  17. The Quantum Space Phase Transitions for Particles and Force Fields

    Directory of Open Access Journals (Sweden)

    Chung D.-Y.

    2006-07-01

    Full Text Available We introduce a phenomenological formalism in which the space structure is treated in terms of attachment space and detachment space. Attachment space attaches to an object, while detachment space detaches from the object. The combination of these spaces results in three quantum space phases: binary partition space, miscible space and binary lattice space. Binary lattice space consists of repetitive units of alternative attachment space and detachment space. In miscible space, attachment space is miscible to detachment space, and there is no separation between attachment space and detachment spaces. In binary partition space, detachment space and attachment space are in two separat continuous regions. The transition from wavefunction to the collapse of wavefuction under interference becomes the quantum space phase transition from binary lattice space to miscible space. At extremely conditions, the gauge boson force field undergoes a quantum space phase transition to a "hedge boson force field", consisting of a "vacuum" core surrounded by a hedge boson shell, like a bubble with boundary.

  18. Energy diffusion in strongly driven quantum chaotic systems: the role of correlations of the matrix elements

    International Nuclear Information System (INIS)

    Elyutin, P V; Rubtsov, A N

    2008-01-01

    The energy evolution of a quantum chaotic system under the perturbation that harmonically depends on time is studied for the case of large perturbation, in which the rate of transition calculated from the Fermi golden rule (FGR) is about or exceeds the frequency of perturbation. For this case, the models of the Hamiltonian with random non-correlated matrix elements demonstrate that the energy evolution retains its diffusive character, but the rate of diffusion increases slower than the square of the magnitude of perturbation, thus destroying the quantum-classical correspondence for the energy diffusion and the energy absorption in the classical limit ℎ → 0. The numerical calculation carried out for a model built from the first principles (the quantum analog of the Pullen-Edmonds oscillator) demonstrates that the evolving energy distribution, apart from the diffusive component, contains a ballistic one with the energy dispersion that is proportional to the square of time. This component originates from the chains of matrix elements with correlated signs and vanishes if the signs of matrix elements are randomized. The presence of the ballistic component formally extends the applicability of the FGR to the non-perturbative domain and restores the quantum-classical correspondence

  19. Revealing Tripartite Quantum Discord with Tripartite Information Diagram

    Directory of Open Access Journals (Sweden)

    Wei-Ting Lee

    2017-11-01

    Full Text Available A new measure based on the tripartite information diagram is proposed for identifying quantum discord in tripartite systems. The proposed measure generalizes the mutual information underlying discord from bipartite to tripartite systems, and utilizes both one-particle and two-particle projective measurements to reveal the characteristics of the tripartite quantum discord. The feasibility of the proposed measure is demonstrated by evaluating the tripartite quantum discord for systems with states close to Greenberger–Horne–Zeilinger, W, and biseparable states. In addition, the connections between tripartite quantum discord and two other quantum correlations—namely genuine tripartite entanglement and genuine tripartite Einstein–Podolsky–Rosen steering—are briefly discussed. The present study considers the case of quantum discord in tripartite systems. However, the proposed framework can be readily extended to general N-partite systems.

  20. Symmetric Double Quantum Dot Energy States in a High Magnetic Field

    International Nuclear Information System (INIS)

    Morgenstern Horing, Norman J; Sawamura, Makoto

    2011-01-01

    The dynamical Green's function and energy spectrum of a 2D symmetric quantum double-dot system on a planar host in a normal magnetic field are analyzed here, representing the two dots by Dirac delta function potentials. The proliferation of energy levels due to Landau quantization is examined in detail.

  1. Optimal quantum error correcting codes from absolutely maximally entangled states

    Science.gov (United States)

    Raissi, Zahra; Gogolin, Christian; Riera, Arnau; Acín, Antonio

    2018-02-01

    Absolutely maximally entangled (AME) states are pure multi-partite generalizations of the bipartite maximally entangled states with the property that all reduced states of at most half the system size are in the maximally mixed state. AME states are of interest for multipartite teleportation and quantum secret sharing and have recently found new applications in the context of high-energy physics in toy models realizing the AdS/CFT-correspondence. We work out in detail the connection between AME states of minimal support and classical maximum distance separable (MDS) error correcting codes and, in particular, provide explicit closed form expressions for AME states of n parties with local dimension \

  2. Energy levels and electron g-factor of spherical quantum dots with Rashba spin-orbit interaction

    International Nuclear Information System (INIS)

    Vaseghi, B.; Rezaei, G.; Malian, M.

    2011-01-01

    We have studied simultaneous effects of Rashba spin-orbit interaction and external electric and magnetic fields on the subbands energy levels and electron g-factor of spherical quantum dots. It is shown that energy eigenvalues strongly depend on the combined effects of external electric and magnetic fields and spin-orbit interaction strength. The more the spin-orbit interaction strength increase, the more the energy eigenvalues increase. Also, we found that the electron g-factor sensitively differers from the bulk value due to the confinement effects. Furthermore, external fields and spin-orbit interaction have a great influence on this important quantity. -- Highlights: → Energy of spherical quantum dots depends on the spin-orbit interaction strength in external electric and magnetic fields. → Spin-orbit interaction shifts the energy levels. → Electron g-factor differs from the bulk value in spherical quantum dots due to the confinement effects. → Electron g-factor strongly depends on the spin-orbit interaction strength in external electric and magnetic fields.

  3. Energy dissipation dataset for reversible logic gates in quantum dot-cellular automata

    Directory of Open Access Journals (Sweden)

    Ali Newaz Bahar

    2017-02-01

    Full Text Available This paper presents an energy dissipation dataset of different reversible logic gates in quantum-dot cellular automata. The proposed circuits have been designed and verified using QCADesigner simulator. Besides, the energy dissipation has been calculated under three different tunneling energy level at temperature T=2 K. For estimating the energy dissipation of proposed gates; QCAPro tool has been employed.

  4. Energy dissipation dataset for reversible logic gates in quantum dot-cellular automata.

    Science.gov (United States)

    Bahar, Ali Newaz; Rahman, Mohammad Maksudur; Nahid, Nur Mohammad; Hassan, Md Kamrul

    2017-02-01

    This paper presents an energy dissipation dataset of different reversible logic gates in quantum-dot cellular automata. The proposed circuits have been designed and verified using QCADesigner simulator. Besides, the energy dissipation has been calculated under three different tunneling energy level at temperature T =2 K. For estimating the energy dissipation of proposed gates; QCAPro tool has been employed.

  5. Implementation of bright six-partite entanglement by coupled intracavity sum frequency generation

    Science.gov (United States)

    Wang, Junfeng; Liu, Le; Liu, Yuzhu; Zhang, Yanan; Wu, Hongyan; Gong, Chengxuan; Zhang, Ruofan; Zhang, Houyuan; Fan, JingYu

    2018-04-01

    Bright six-partite continuous-variable (CV) entanglement generated by the coupled intracavity sum frequency generation is investigated. The entanglement characteristics of reflected pump fields and the output sum frequency fields are discussed theoretically in symmetric and asymmetric cases by applying van Loock and Furusawa criteria for multipartite CV entanglement. Such compact tunable multipartite CV entanglement, generated from an experimentally feasible coupled system, could be used in integrated quantum communication and networks.

  6. Thermodynamic limits to the conversion of blackbody radiation by quantum systems. [with application to solar energy conversion devices

    Science.gov (United States)

    Buoncristiani, A. M.; Smith, B. T.; Byvik, C. E.

    1982-01-01

    Using general thermodynamic arguments, we analyze the conversion of the energy contained in the radiation from a blackbody to useful work by a quantum system. We show that the energy available for conversion is bounded above by the change in free energy in the incident and reradiated fields and that this free energy change depends upon the temperature of the receiving device. Universal efficiency curves giving the ultimate thermodynamic conversion efficiency of the quantum system are presented in terms of the blackbody temperature and the temperature and threshold energy of the quantum system. Application of these results is made to a variety of systems including biological photosynthetic, photovoltaic, and photoelectrochemical systems.

  7. Quantum-path control in high-order harmonic generation at high photon energies

    International Nuclear Information System (INIS)

    Zhang Xiaoshi; Lytle, Amy L; Cohen, Oren; Murnane, Margaret M; Kapteyn, Henry C

    2008-01-01

    We show through experiment and calculations how all-optical quasi-phase-matching of high-order harmonic generation can be used to selectively enhance emission from distinct quantum trajectories at high photon energies. Electrons rescattered in a strong field can traverse short and long quantum trajectories that exhibit differing coherence lengths as a result of variations in intensity of the driving laser along the direction of propagation. By varying the separation of the pulses in a counterpropagating pulse train, we selectively enhance either the long or the short quantum trajectory, and observe distinct spectral signatures in each case. This demonstrates a new type of coupling between the coherence of high-order harmonic beams and the attosecond time-scale quantum dynamics inherent in the process

  8. Spacetime coarse grainings in nonrelativistic quantum mechanics

    International Nuclear Information System (INIS)

    Hartle, J.B.

    1991-01-01

    Sum-over-histories generalizations of nonrelativistic quantum mechanics are explored in which probabilities are predicted, not just for alternatives defined on spacelike surfaces, but for alternatives defined by the behavior of spacetime histories with respect to spacetime regions. Closed, nonrelativistic systems are discussed whose histories are paths in a given configuration space. The action and the initial quantum state are assumed fixed and given. A formulation of quantum mechanics is used which assigns probabilities to members of sets of alternative coarse-grained histories of the system, that is, to the individual classes of a partition of its paths into exhaustive and exclusive classes. Probabilities are assigned to those sets which decohere, that is, whose probabilities are consistent with the sum rules of probability theory. Coarse graining by the behavior of paths with respect to regions of spacetime is described. For example, given a single region, the set of all paths may be partitioned into those which never pass through the region and those which pass through the region at least once. A sum-over-histories decoherence functional is defined for sets of alternative histories coarse-grained by spacetime regions. Techniques for the definition and effective computation of the relevant sums over histories by operator-product formulas are described and illustrated by examples. Methods based on Euclidean stochastic processes are also discussed and illustrated. Models of decoherence and measurement for spacetime coarse grainings are described. Issues of causality are investigated. Such spacetime generalizations of nonrelativistic quantum mechanics may be useful models for a generalized quantum mechanics of spacetime geometry

  9. The wave function behavior of the open topological string partition function on the conifold

    International Nuclear Information System (INIS)

    Kashani-Poor, Amir-Kian

    2007-01-01

    We calculate the topological string partition function to all genus on the conifold, in the presence of branes. We demonstrate that the partition functions for different brane backgrounds (smoothly connected along a quantum corrected moduli space) can be interpreted as the same wave function in different polarizations. This behavior has a natural interpretation in the Chern-Simons target space description of the topological theory. Our detailed analysis however indicates that non-perturbatively, a modification of real Chern-Simons theory is required to capture the correct target space theory of the topological string. We perform our calculations in the framework of a free fermion representation of the open topological string, demonstrating that this framework extends beyond the simple C 3 geometry. The notion of a fermionic brane creation operator arises in this setting, and we study to what extent the wave function properties of the partition function can be extended to this operator

  10. Nonequilibrium quantum mechanics: A "hot quantum soup" of paramagnons

    Science.gov (United States)

    Scammell, H. D.; Sushkov, O. P.

    2017-01-01

    Motivated by recent measurements of the lifetime (decay width) of paramagnons in quantum antiferromagnet TlCuCl3, we investigate paramagnon decay in a heat bath and formulate an appropriate quantum theory. Our formulation can be split into two regimes: (i) a nonperturbative, "hot quantum soup" regime where the paramagnon width is comparable to its energy; (ii) a usual perturbative regime where the paramagnon width is significantly lower than its energy. Close to the Neel temperature, the paramagnon width becomes comparable to its energy and falls into the hot quantum soup regime. To describe this regime, we develop a new finite frequency, finite temperature technique for a nonlinear quantum field theory; the "golden rule of quantum kinetics." The formulation is generic and applicable to any three-dimensional quantum antiferromagnet in the vicinity of a quantum critical point. Specifically, we apply our results to TlCuCl3 and find agreement with experimental data. Additionally, we show that logarithmic running of the coupling constant in the upper critical dimension changes the commonly accepted picture of the quantum disordered and quantum critical regimes.

  11. Quantum vacuum energy in Taub-NUT (Newman-Unti-Tamburino)-type cosmologies

    International Nuclear Information System (INIS)

    Hiscock, W.A.; Konkowski, D.A.

    1982-01-01

    The effects of vacuum polarization on the mildest possible sort of cosmological singularity, the Taub-NUT (Newman-Unti-Tamburino)-type singularities, are studied. Unlike stronger sorts of singularities where physical quantities (e.g., curvature, energy density) diverge, in these universes the only barrier is a pathological topology. Quantum effects, known to be important in regions of large spacetime curvature, are found to also be important in these universes, where the curvature may be arbitrarily small or even zero. The vacuum expectation value of the stress-energy tensor for a conformal scalar field is calculated on a flat archetype of the Taub-NUT-type universes, the Misner universe (flat Kasner spacetime with S 1 x R 3 topology). The vacuum stress energy diverges at the singularity and on its associated Cauchy horizons. This divergence, together with the ''fixed'' nature of the spacetime's topology, suggests that these boundaries will be replaced by curvature singularities in a better approximation to full quantum gravity

  12. Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.

    Science.gov (United States)

    Cendagorta, Joseph R; Powers, Anna; Hele, Timothy J H; Marsalek, Ondrej; Bačić, Zlatko; Tuckerman, Mark E

    2016-11-30

    Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H 2 and D 2 diffusion through a hexagonal face shared by two large cages of clathrate hydrates over a wide range of temperatures. Path integral molecular dynamics simulations are used to compute the free-energy profiles for the diffusion of H 2 and D 2 as a function of temperature. Ring polymer molecular dynamics rate theory, incorporating both exact quantum statistics and approximate quantum dynamical effects, is utilized in the calculations of the H 2 and D 2 diffusion rates in a broad temperature interval. We find that the shape of the quantum free-energy profiles and their height relative to the classical free energy barriers at a given temperature, as well as the rate of diffusion, are strongly affected by competing quantum effects: above 25 K, zero-point energy (ZPE) perpendicular to the reaction path for diffusion between cavities decreases the quantum rate compared to the classical rate, whereas at lower temperatures tunneling outcompetes the ZPE and as a result the quantum rate is greater than the classical rate.

  13. Probing Bioluminescence Resonance Energy Transfer in Quantum Rod-Luciferase Nanoconjugates.

    Science.gov (United States)

    Alam, Rabeka; Karam, Liliana M; Doane, Tennyson L; Coopersmith, Kaitlin; Fontaine, Danielle M; Branchini, Bruce R; Maye, Mathew M

    2016-02-23

    We describe the necessary design criteria to create highly efficient energy transfer conjugates containing luciferase enzymes derived from Photinus pyralis (Ppy) and semiconductor quantum rods (QRs) with rod-in-rod (r/r) microstructure. By fine-tuning the synthetic conditions, CdSe/CdS r/r-QRs were prepared with two different emission colors and three different aspect ratios (l/w) each. These were hybridized with blue, green, and red emitting Ppy, leading to a number of new BRET nanoconjugates. Measurements of the emission BRET ratio (BR) indicate that the resulting energy transfer is highly dependent on QR energy accepting properties, which include absorption, quantum yield, and optical anisotropy, as well as its morphological and topological properties, such as aspect ratio and defect concentration. The highest BR was found using r/r-QRs with lower l/w that were conjugated with red Ppy, which may be activating one of the anisotropic CdSe core energy levels. The role QR surface defects play on Ppy binding, and energy transfer was studied by growth of gold nanoparticles at the defects, which indicated that each QR set has different sites. The Ppy binding at those sites is suggested by the observed BRET red-shift as a function of Ppy-to-QR loading (L), where the lowest L results in highest efficiency and furthest shift.

  14. Comparison of Methods for Computing the Exchange Energy of quantum helium and hydrogen

    International Nuclear Information System (INIS)

    Cayao, J. L. C. D.

    2009-01-01

    I investigate approach methods to find the exchange energy for quantum helium and hydrogen. I focus on Heitler-London, Hund-Mullikan, Molecular Orbital and variational approach methods. I use Fock-Darwin states centered at the potential minima as the single electron wavefunctions. Using these we build Slater determinants as the basis for the two electron problem. I do a comparison of methods for two electron double dot (quantum hydrogen) and for two electron single dot (quantum helium) in zero and finite magnetic field. I show that the variational, Hund-Mullikan and Heitler-London methods are in agreement with the exact solutions. Also I show that the exchange energy calculation by Heitler-London (HL) method is an excellent approximation for large inter dot distances and for single dot in magnetic field is an excellent approximation the Variational method. (author)

  15. An adaptive interpolation scheme for molecular potential energy surfaces

    Science.gov (United States)

    Kowalewski, Markus; Larsson, Elisabeth; Heryudono, Alfa

    2016-08-01

    The calculation of potential energy surfaces for quantum dynamics can be a time consuming task—especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm based on polyharmonic splines combined with a partition of unity approach. The adaptive node refinement allows to greatly reduce the number of sample points by employing a local error estimate. The algorithm and its scaling behavior are evaluated for a model function in 2, 3, and 4 dimensions. The developed algorithm allows for a more rapid and reliable interpolation of a potential energy surface within a given accuracy compared to the non-adaptive version.

  16. Determination and prediction of octanol-air partition coefficients of hydroxylated and methoxylated polybrominated diphenyl ethers.

    Science.gov (United States)

    Zhao, Hongxia; Xie, Qing; Tan, Feng; Chen, Jingwen; Quan, Xie; Qu, Baocheng; Zhang, Xin; Li, Xiaona

    2010-07-01

    The octanol-air partition coefficient (K(OA)) of 19 hydroxylated polybrominated diphenyl ethers (OH-PBDEs) and 10 methoxylated polybrominated diphenyl ethers (MeO-PBDEs) were measured as a function of temperature using a gas chromatographic retention time technique. At room temperature (298.15K), log K(OA) ranged from 8.30 for monobrominated OH/MeO-PBDEs to 13.29 for hexabrominated OH/MeO-PBDEs. The internal energies of phase change from octanol to air (Delta(OA)U) for 29 OH/MeO-PBDE congeners ranged from 72 to 126 kJ mol(-1). Using partial least-squares (PLS) analysis, a statistically quantitative structure-property relationship (QSPR) model for logK(OA) of OH/MeO-PBDE congeners was developed based on the 16 fundamental quantum chemical descriptors computed by PM3 Hamiltonian, for which the Q(cum)(2) was about 0.937. The molecular weight (Mw) and energy of the lowest unoccupied molecular orbital (E(LUMO)) were found to be main factors governing the log K(OA). 2010 Elsevier Ltd. All rights reserved.

  17. On calculations of the ground state energy in quantum mechanics

    International Nuclear Information System (INIS)

    Efimov, G.V.

    1991-02-01

    In nonrelativistic quantum mechanics the Wick-ordering method called the oscillator representation suggested to calculate the ground-state energy for a wide class of potentials allowing the existence of a bound state. The following examples are considered: the orbital excitations of the ground-state in the Coulomb plus linear potential, the Schroedinger equation with a ''relativistic'' kinetic energy √p 2 +m 2 , the Coulomb three-body problem. (author). 22 refs, 2 tabs

  18. Quantum computing applied to calculations of molecular energies: CH2 benchmark.

    Science.gov (United States)

    Veis, Libor; Pittner, Jiří

    2010-11-21

    Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full configuration interaction (FCI) energy calculations with a polynomial scaling. This is in contrast to conventional computers where FCI scales exponentially. We have developed a code for simulation of quantum computers and implemented our version of the quantum FCI algorithm. We provide a detailed description of this algorithm and the results of the assessment of its performance on the four lowest lying electronic states of CH(2) molecule. This molecule was chosen as a benchmark, since its two lowest lying (1)A(1) states exhibit a multireference character at the equilibrium geometry. It has been shown that with a suitably chosen initial state of the quantum register, one is able to achieve the probability amplification regime of the iterative phase estimation algorithm even in this case.

  19. An excited-state approach within full configuration interaction quantum Monte Carlo

    International Nuclear Information System (INIS)

    Blunt, N. S.; Smart, Simon D.; Booth, George H.; Alavi, Ali

    2015-01-01

    We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distributions of walkers, to orthogonalize higher energy states against lower energy ones. It can thus be used to study several of the lowest-energy states of a system within the same symmetry. This additional step is particularly simple and computationally inexpensive, requiring only a small change to the underlying FCIQMC algorithm. No trial wave functions or partitioning of the space is needed. The approach should allow excited states to be studied for systems similar to those accessible to the ground-state method due to a comparable computational cost. As a first application, we consider the carbon dimer in basis sets up to quadruple-zeta quality and compare to existing results where available

  20. Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum

    Directory of Open Access Journals (Sweden)

    Ольга Юрьевна Хецелиус

    2014-11-01

    Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.

  1. Implementing quantum information splitting using a five-partite cluster state in cavity QED

    International Nuclear Information System (INIS)

    Ye Liu; Song Qingmin; Li Aixia

    2010-01-01

    We propose an explicit scheme for splitting up quantum information into parts using five-atom cluster states in cavity quantum electrodynamics (QED). It is found that the quantum information splitting of an arbitrary two-atomic state can be realized by using the five-atom cluster state. During the process, the cavity fields are excited only virtually. The scheme is insensitive to cavity decay. Therefore, the scheme can be experimentally realized using a range of current cavity QED techniques. The schemes considered here are also secure against certain eavesdropping attacks.

  2. On Spectral Triples in Quantum Gravity I

    DEFF Research Database (Denmark)

    Aastrup, Johannes; M. Grimstrup, Jesper; Nest, Ryszard

    2009-01-01

    This paper establishes a link between Noncommutative Geometry and canonical quantum gravity. A semi-finite spectral triple over a space of connections is presented. The triple involves an algebra of holonomy loops and a Dirac type operator which resembles a global functional derivation operator....... The interaction between the Dirac operator and the algebra reproduces the Poisson structure of General Relativity. Moreover, the associated Hilbert space corresponds, up to a discrete symmetry group, to the Hilbert space of diffeomorphism invariant states known from Loop Quantum Gravity. Correspondingly......, the square of the Dirac operator has, in terms of canonical quantum gravity, the form of a global area-squared operator. Furthermore, the spectral action resembles a partition function of Quantum Gravity. The construction is background independent and is based on an inductive system of triangulations...

  3. Holographic dark energy: Quantum correlations against thermodynamical description

    International Nuclear Information System (INIS)

    Horvat, R.

    2008-01-01

    Classical and quantum entropic properties of holographic dark energy (HDE) are considered in view of the fact that its entropy is far more restrictive than the entropy of a black hole of the same size. In cosmological settings (in which HDE is promoted to a plausible candidate for being the dark energy of the universe), HDE should be viewed as a combined state composed of the event horizon and the stuff inside the horizon. By any interaction of the subsystems, the horizon and the interior become entangled, raising thereby a possibility that their quantum correlations be responsible for the almost purity of the combined state. Under this circumstances, the entanglement entropy is almost the same for both subsystems, being also of the same order as the thermal (coarse grained) entropy of the interior or the horizon. In the context of thermodynamics, however, only additive coarse grained entropies matter, so we use these entropies to test the generalized second law (GSL) of gravitational thermodynamics in this framework. While we find that the original Li's model passes the GSL test for a special choice of parameters, in a saturated model with the choice for the IR cutoff in the form of the Hubble parameter, the GSL always breaks down

  4. Low energy description of quantum gravity and complementarity

    International Nuclear Information System (INIS)

    Nomura, Yasunori; Varela, Jaime; Weinberg, Sean J.

    2014-01-01

    We consider a framework in which low energy dynamics of quantum gravity is described preserving locality, and yet taking into account the effects that are not captured by the naive global spacetime picture, e.g. those associated with black hole complementarity. Our framework employs a “special relativistic” description of gravity; specifically, gravity is treated as a force measured by the observer tied to the coordinate system associated with a freely falling local Lorentz frame. We identify, in simple cases, regions of spacetime in which low energy local descriptions are applicable as viewed from the freely falling frame; in particular, we identify a surface called the gravitational observer horizon on which the local proper acceleration measured in the observer's coordinates becomes the cutoff (string) scale. This allows for separating between the “low-energy” local physics and “trans-Planckian” intrinsically quantum gravitational (stringy) physics, and allows for developing physical pictures of the origins of various effects. We explore the structure of the Hilbert space in which the proposed scheme is realized in a simple manner, and classify its elements according to certain horizons they possess. We also discuss implications of our framework on the firewall problem. We conjecture that the complementarity picture may persist due to properties of trans-Planckian physics.

  5. Estimation of octanol/water partition coefficients using LSER parameters

    Science.gov (United States)

    Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N.

    1998-01-01

    The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected.

  6. Dark energy: a quantum fossil from the inflationary universe?

    International Nuclear Information System (INIS)

    Sola, Joan

    2008-01-01

    The discovery of dark energy (DE) as the physical cause for the accelerated expansion of the Universe is the most remarkable experimental finding of modern cosmology. However, it leads to insurmountable theoretical difficulties from the point of view of fundamental physics. Inflation, on the other hand, constitutes another crucial ingredient, which seems necessary to solve other cosmological conundrums and provides the primeval quantum seeds for structure formation. One may wonder if there is any deep relationship between these two paradigms. In this work, we suggest that the existence of the DE in the present Universe could be linked to the quantum field theoretical mechanism that may have triggered primordial inflation in the early Universe. This mechanism, based on quantum conformal symmetry, induces a logarithmic, asymptotically free, running of the gravitational coupling. If this evolution persists in the present Universe, and if matter is conserved, the general covariance of Einstein's equations demands the existence of dynamical DE in the form of a running cosmological term, Λ, whose variation follows a power law of the redshift

  7. Energy and transverse momentum fluctuations in the equilibrium quantum systems

    International Nuclear Information System (INIS)

    Gorenstein, M.I.; Rybczyński, M.

    2014-01-01

    The fluctuations in the ideal quantum gases are studied using the strongly intensive measures Δ[A,B] and Σ[A,B] defined in terms of two extensive quantities A and B. In the present Letter, these extensive quantities are taken as the motional variable, A=X, the system energy E or transverse momentum P T , and number of particles, B=N. This choice is most often considered in studying the event-by-event fluctuations and correlations in high energy nucleus–nucleus collisions. The recently proposed special normalization ensures that Δ and Σ are dimensionless and equal to unity for fluctuations given by the independent particle model. In statistical mechanics, the grand canonical ensemble formulation within the Boltzmann approximation gives an example of independent particle model. Our results demonstrate the effects due to the Bose and Fermi statistics. Estimates of the effects of quantum statistics in the hadron gas at temperatures and chemical potentials typical for thermal models of hadron production in high energy collisions are presented. In the case of massless particles and zero chemical potential the Δ and Σ measures are calculated analytically/

  8. Time Domain Partitioning of Electricity Production Cost Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Barrows, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hummon, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Jones, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hale, E. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2014-01-01

    Production cost models are often used for planning by simulating power system operations over long time horizons. The simulation of a day-ahead energy market can take several weeks to compute. Tractability improvements are often made through model simplifications, such as: reductions in transmission modeling detail, relaxation of commitment variable integrality, reductions in cost modeling detail, etc. One common simplification is to partition the simulation horizon so that weekly or monthly horizons can be simulated in parallel. However, horizon partitions are often executed with overlap periods of arbitrary and sometimes zero length. We calculate the time domain persistence of historical unit commitment decisions to inform time domain partitioning of production cost models. The results are implemented using PLEXOS production cost modeling software in an HPC environment to improve the computation time of simulations while maintaining solution integrity.

  9. Experimental implementation of a four-player quantum game

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, C; Wieczorek, W; Kiesel, N; Weinfurter, H [Sektion Physik, Ludwig-Maximilians-Universitaet, D-80797 Muenchen (Germany); Flitney, A P; Hollenberg, L C L, E-mail: cschmid@eso.or [School of Physics, The University of Melbourne, Parkville, VIC 3010 (Australia)

    2010-06-15

    Game theory is central to the understanding of competitive interactions arising in many fields, from the social and physical sciences to economics. Recently, as the definition of information is generalized to include entangled quantum systems, quantum game theory has emerged as a framework for understanding the competitive flow of quantum information. Up till now, only two- and three-player quantum games have been demonstrated with restricted strategy sets. Here, we report the first experiment that implements a four-player quantum minority game over tunable four-partite entangled states encoded in the polarization of single photons. Experimental application of appropriate player strategies gives equilibrium payoff values well above those achievable in the classical game. These results are in excellent quantitative agreement with our theoretical analysis of the symmetric Pareto optimal strategies. Our results demonstrate for the first time how nontrivial equilibria can arise in a competitive situation involving quantum agents.

  10. An energy and cost efficient majority-based RAM cell in quantum-dot cellular automata

    Directory of Open Access Journals (Sweden)

    Milad Bagherian Khosroshahy

    Full Text Available Nanotechnologies, notably quantum-dot cellular automata, have achieved major attentions for their prominent features as compared to the conventional CMOS circuitry. Quantum-dot cellular automata, particularly owning to its considerable reduction in size, high switching speed and ultra-low energy consumption, is considered as a potential alternative for the CMOS technology. As the memory unit is one of the most essential components in a digital system, designing a well-optimized QCA random access memory (RAM cell is an important area of research. In this paper, a new five-input majority gate is presented which is suitable for implementing efficient single-layer QCA circuits. In addition, a new RAM cell with set and reset capabilities is designed based on the proposed majority gate, which has an efficient and low-energy structure. The functionality, performance and energy consumption of the proposed designs are evaluated based on the QCADesigner and QCAPro tools. According to the simulation results, the proposed RAM design leads to on average 38% lower total energy dissipation, 25% smaller area, 20% lower cell count, 28% lower delay and 60% lower QCA cost as compared to its previous counterparts. Keywords: Quantum-dot cellular automata (QCA, Majority gate, Random access memory (RAM, Energy efficiency

  11. Quantum mechanical facets of chemical bonds

    International Nuclear Information System (INIS)

    Daudel, R.

    1976-01-01

    To define the concept of bond is both a central problem of quantum chemistry and a difficult one. The concept of bond appeared little by little in the mind of chemists from empirical observations. From the wave-mechanical viewpoint it is not an observable. Therefore there is no precise operator associated with that concept. As a consequence there is not a unique approach to the idea of chemical bond. This is why it is preferred to present various quantum mechanical facets, e.g. the energetic facet, the density facet, the partitioning facet and the functional facet, of that important concept. (Auth.)

  12. Maximally-localized position, Euclidean path-integral, and thermodynamics in GUP quantum mechanics

    Science.gov (United States)

    Bernardo, Reginald Christian S.; Esguerra, Jose Perico H.

    2018-04-01

    In dealing with quantum mechanics at very high energies, it is essential to adapt to a quasiposition representation using the maximally-localized states because of the generalized uncertainty principle. In this paper, we look at maximally-localized states as eigenstates of the operator ξ = X + iβP that we refer to as the maximally-localized position. We calculate the overlap between maximally-localized states and show that the identity operator can be expressed in terms of the maximally-localized states. Furthermore, we show that the maximally-localized position is diagonal in momentum-space and that the maximally-localized position and its adjoint satisfy commutation and anti-commutation relations reminiscent of the harmonic oscillator commutation and anti-commutation relations. As application, we use the maximally-localized position in developing the Euclidean path-integral and introduce the compact form of the propagator for maximal localization. The free particle momentum-space propagator and the propagator for maximal localization are analytically evaluated up to quadratic-order in β. Finally, we obtain a path-integral expression for the partition function of a thermodynamic system using the maximally-localized states. The partition function of a gas of noninteracting particles is evaluated. At temperatures exceeding the Planck energy, we obtain the gas' maximum internal energy N / 2 β and recover the zero heat capacity of an ideal gas.

  13. Partitioning and Transmutation: IAEA Activities

    International Nuclear Information System (INIS)

    Basak, U.; Monti, S.; )

    2015-01-01

    Full text of publication follows: The importance of partitioning and transmutation (P and T) processes for sustaining nuclear energy growth in the world has been realised in several countries across the world. P and T processes aim at separation and recycling of actinides including minor actinides (MAs) from the spent fuel or high-level liquid waste. The objective of these processes include reuse of separated fissile materials from spent nuclear fuels to obtain energy, enhance resource utilisation, reduce the disposal of toxic radio-nuclides and improve long-term performance of geological repositories. R and D programmes have been launched in many of the Member States to develop advanced partitioning process based on either aqueous or pyro to recover MAs along with other actinides as well as automated and remote techniques for manufacturing fuels containing MAs for the purpose of transmuting them either in fast reactors or accelerator driven hybrids. A number of Member States have been also developing such transmutation systems with the aim to construct and operate demo plants and prototypes in the next decade. The International Atomic Energy Agency has a high priority for the activities on partitioning and transmutation and regularly organises conferences, workshops, seminars and technical meetings in the areas of P and T as a part of information exchange and knowledge sharing at the international level. In the recent past, the Agency organised two technical meetings on advanced partitioning processes and actinide recycle technologies with the objective of providing a common platform for the scientists and engineers working in the areas of separation of actinides along with MAs from spent nuclear fuels and manufacturing of advanced fuels containing MAs in order to bridge the technological gap between them. In 2010, the Agency concluded a Coordinated Research Project (CRP) related to Assessment of Partitioning Processes. The Agency also conducted a first CRP on

  14. Evaluation of upper and lower bounds to energy eigenvalues in Shoenberg's perturbation-theory ground state by means of partitioning technique

    International Nuclear Information System (INIS)

    Logrado, P.G.; Vianna, J.D.M.

    Upper and lower bounds for the energy eigenvalues is Schoenberg's perturbation-theory ground state are studied. After a review of the characteristic features of the partitioning techniques the perturbative expansion proposed by Schoenberg is generated from an exact operator equation. The upper and lower bounds for the ground state eigenvalue are derived by using reaction and wave operators concepts, the bracketing function and operator inequalities. (Author) [pt

  15. Actinide and Fission Product Partitioning and Transmutation

    International Nuclear Information System (INIS)

    2015-06-01

    The benefits of partitioning and transmutation (P and T) have now been established worldwide and, as a result, many countries are pursuing R and D programmes to advance the technologies associated with P and T. In this context, the OECD Nuclear Energy Agency (NEA) has organised a series of biennial information exchange meetings to provide experts with a forum to present and discuss state-of-the-art developments in the field of partitioning and transmutation since 1990. The OECD Nuclear Energy Agency Information Exchange Meeting on Actinides and Fission Products Partitioning and Transmutation is a forum for experts to present and discuss the state-of-the-art development in the field of P and T. Thirteen meetings have been organised so far and held in Japan, the United States, France, Belgium, Spain, the Republic of Korea and the Czech Republic. This 13. meeting was hosted by Seoul National University (Seoul, Republic of Korea) and was organised in co-operation with the International Atomic Energy Agency (IAEA) and the European Community (EC). The meeting covered strategic and scientific developments in the field of P and T such as: fuel cycle strategies and transition scenarios, the role of P and T in the potential evolution of nuclear energy as part of the future energy mix; radioactive waste management strategies; transmutation fuels and targets; advances in pyro and aqueous separation processes; P and T specific technology requirements (materials, spallation targets, coolants, etc.); transmutation systems: design, performance and safety; impact of P and T on the fuel cycle; fabrication, handling and transportation of transmutation fuels. A total of 103 presentations (39 oral and 64 posters) were discussed among the 110 participants from 19 countries and 2 international organisations. The meeting consisted of one plenary session where national and international programmes were presented followed by 5 technical sessions: - Fuel Cycle Strategies and Transition

  16. Spatial and Temporal Variations in Slip Partitioning During Oblique Convergence Experiments

    Science.gov (United States)

    Beyer, J. L.; Cooke, M. L.; Toeneboehn, K.

    2017-12-01

    Physical experiments of oblique convergence in wet kaolin demonstrate the development of slip partitioning, where two faults accommodate strain via different slip vectors. In these experiments, the second fault forms after the development of the first fault. As one strain component is relieved by one fault, the local stress field then favors the development of a second fault with different slip sense. A suite of physical experiments reveals three styles of slip partitioning development controlled by the convergence angle and presence of a pre-existing fault. In experiments with low convergence angles, strike-slip faults grow prior to reverse faults (Type 1) regardless of whether the fault is precut or not. In experiments with moderate convergence angles, slip partitioning is dominantly controlled by the presence of a pre-existing fault. In all experiments, the primarily reverse fault forms first. Slip partitioning then develops with the initiation of strike-slip along the precut fault (Type 2) or growth of a secondary reverse fault where the first fault is steepest. Subsequently, the slip on the first fault transitions to primarily strike-slip (Type 3). Slip rates and rakes along the slip partitioned faults for both precut and uncut experiments vary temporally, suggesting that faults in these slip-partitioned systems are constantly adapting to the conditions produced by slip along nearby faults in the system. While physical experiments show the evolution of slip partitioning, numerical simulations of the experiments provide information about both the stress and strain fields, which can be used to compute the full work budget, providing insight into the mechanisms that drive slip partitioning. Preliminary simulations of precut experiments show that strain energy density (internal work) can be used to predict fault growth, highlighting where fault growth can reduce off-fault deformation in the physical experiments. In numerical simulations of uncut experiments with a

  17. Efficient Strategy for the Calculation of Solvation Free Energies in Water and Chloroform at the Quantum Mechanical/Molecular Mechanical Level.

    Science.gov (United States)

    Wang, Meiting; Li, Pengfei; Jia, Xiangyu; Liu, Wei; Shao, Yihan; Hu, Wenxin; Zheng, Jun; Brooks, Bernard R; Mei, Ye

    2017-10-23

    The partitioning of solute molecules between immiscible solvents with significantly different polarities is of great importance. The polarization between the solute and solvent molecules plays an essential role in determining the solubility of the solute, which makes computational studies utilizing molecular mechanics (MM) rather difficult. In contrast, quantum mechanics (QM) can provide more reliable predictions. In this work, the partition coefficients of the side chain analogs of some amino acids between water and chloroform were computed. The QM solvation free energies were calculated indirectly via a series of MM states using the multistate Bennett acceptance ratio (MBAR) and the MM-to-QM corrections were applied at the two endpoints using thermodynamic perturbation (TP). Previously, it has been shown (Jia et al. J. Chem. Theory Comput. 2016, 12, 499-511) that this method provides the minimal variance in the results without running QM simulations. However, if there is insufficient overlap in phase space between the MM and QM Hamiltonians, this method fails. In this work, we propose, for the first time, a quantity termed the reweighting entropy that serves as a metric for the reliability of the TP calculations. If the reweighting entropy is below a certain threshold (0.65 for the solvation free energy calculations in this work), this MM-to-QM correction should be avoided and two alternative methods can be employed by either introducing a semiempirical state or conducting nonequilibrium simulations. However, the results show that the QM methods are not guaranteed to yield better results than the MM methods. Further improvement of the QM methods are imperative, especially the treatment of the van der Waals and the electrostatic interactions between the QM region and the MM region in the first shell. We also propose a scheme for the calculation of the van der Waals parameters for the solute molecules in nonaqueous solvent, which improves the quality of the

  18. Size-dependent energy levels of InSb quantum dots measured by scanning tunneling spectroscopy.

    Science.gov (United States)

    Wang, Tuo; Vaxenburg, Roman; Liu, Wenyong; Rupich, Sara M; Lifshitz, Efrat; Efros, Alexander L; Talapin, Dmitri V; Sibener, S J

    2015-01-27

    The electronic structure of single InSb quantum dots (QDs) with diameters between 3 and 7 nm was investigated using atomic force microscopy (AFM) and scanning tunneling spectroscopy (STS). In this size regime, InSb QDs show strong quantum confinement effects which lead to discrete energy levels on both valence and conduction band states. Decrease of the QD size increases the measured band gap and the spacing between energy levels. Multiplets of equally spaced resonance peaks are observed in the tunneling spectra. There, multiplets originate from degeneracy lifting induced by QD charging. The tunneling spectra of InSb QDs are qualitatively different from those observed in the STS of other III-V materials, for example, InAs QDs, with similar band gap energy. Theoretical calculations suggest the electron tunneling occurs through the states connected with L-valley of InSb QDs rather than through states of the Γ-valley. This observation calls for better understanding of the role of indirect valleys in strongly quantum-confined III-V nanomaterials.

  19. The energy partitioning of non-thermal particles in a plasma: the Coulomb logarithm revisited

    International Nuclear Information System (INIS)

    Singleton, Robert L Jr; Brown, Lowell S

    2008-01-01

    The charged particle stopping power in a highly ionized and weakly to moderately coupled plasma has been calculated exactly to leading and next-to-leading accuracy in the plasma density by Brown, Preston and Singleton (BPS). Since the calculational techniques of BPS might be unfamiliar to some, and since the same methodology can also be used for other energy transport phenomena, we will review the main ideas behind the calculation. BPS used their stopping power calculation to derive a Fokker-Planck equation, also accurate to leading and next-to-leading orders, and we will also review this. We use this Fokker-Planck equation to compute the electron-ion energy partitioning of a charged particle traversing a plasma. The motivation for this application is ignition for inertial confinement fusion-more energy delivered to the ions means a better chance of ignition, and conversely. It is therefore important to calculate the fractional energy loss to electrons and ions as accurately as possible. One method by which one calculates the electron-ion energy splitting of a charged particle traversing a plasma involves integrating the stopping power dE/dx. However, as the charged particle slows down and becomes thermalized into the background plasma, this method of calculating the electron-ion energy splitting breaks down. As a result, it suffers a systematic error that may be as large as T/E 0 , where T is the plasma temperature and E 0 is the initial energy of the charged particle. The formalism presented here is designed to account for the thermalization process and it provides results that are near-exact.

  20. Phase holonomy, zero-point energy cancellation and supersymmetric quantum mechanics

    International Nuclear Information System (INIS)

    Iida, Shinji; Kuratsuji, Hiroshi

    1987-01-01

    We show that the zero-point energy of bosons is cancelled out by the phase holonomy which is induced by the adiabatic deformation of a boson system coupled with a fermion. This mechanism results in a supersymmetric quantum mechanics as a special case and presents a possible dynamical origin of supersymmetry. (orig.)

  1. Quantum Zeno subspaces induced by temperature

    Energy Technology Data Exchange (ETDEWEB)

    Militello, B.; Scala, M.; Messina, A. [Dipartimento di Fisica dell' Universita di Palermo, Via Archirafi 36, I-90123 Palermo (Italy)

    2011-08-15

    We discuss the partitioning of the Hilbert space of a quantum system induced by the interaction with another system at thermal equilibrium, showing that the higher the temperature the more effective is the formation of Zeno subspaces. We show that our analysis keeps its validity even in the case of interaction with a bosonic reservoir, provided appropriate limitations of the relevant bandwidth.

  2. Förster Resonance Energy Transfer between Quantum Dot Donors and Quantum Dot Acceptors

    Science.gov (United States)

    Chou, Kenny F.; Dennis, Allison M.

    2015-01-01

    Förster (or fluorescence) resonance energy transfer amongst semiconductor quantum dots (QDs) is reviewed, with particular interest in biosensing applications. The unique optical properties of QDs provide certain advantages and also specific challenges with regards to sensor design, compared to other FRET systems. The brightness and photostability of QDs make them attractive for highly sensitive sensing and long-term, repetitive imaging applications, respectively, but the overlapping donor and acceptor excitation signals that arise when QDs serve as both the donor and acceptor lead to high background signals from direct excitation of the acceptor. The fundamentals of FRET within a nominally homogeneous QD population as well as energy transfer between two distinct colors of QDs are discussed. Examples of successful sensors are highlighted, as is cascading FRET, which can be used for solar harvesting. PMID:26057041

  3. Quantum chemistry on a superconducting quantum processor

    Energy Technology Data Exchange (ETDEWEB)

    Kaicher, Michael P.; Wilhelm, Frank K. [Theoretical Physics, Saarland University, 66123 Saarbruecken (Germany); Love, Peter J. [Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States)

    2016-07-01

    Quantum chemistry is the most promising civilian application for quantum processors to date. We study its adaptation to superconducting (sc) quantum systems, computing the ground state energy of LiH through a variational hybrid quantum classical algorithm. We demonstrate how interactions native to sc qubits further reduce the amount of quantum resources needed, pushing sc architectures as a near-term candidate for simulations of more complex atoms/molecules.

  4. Implementation of quantum partial search with superconducting quantum interference device qudits in cavity QED

    International Nuclear Information System (INIS)

    Li Hong-Yi; Wu Chun-Wang; Chen Yu-Bo; Lin Yuan-Gen; Chen Ping-Xing; Li Cheng-Zu

    2013-01-01

    We present a method to implement the quantum partial search of the database separated into any number of blocks with qudits, D-level quantum systems. Compared with the partial search using qubits, our method needs fewer iteration steps and uses the carriers of the information more economically. To illustrate how to realize the idea with concrete physical systems, we propose a scheme to carry out a twelve-dimensional partial search of the database partitioned into three blocks with superconducting quantum interference devices (SQUIDs) in cavity QED. Through the appropriate modulation of the amplitudes of the microwave pulses, the scheme can overcome the non-identity of the cavity—SQUID coupling strengths due to the parameter variations resulting from the fabrication processes. Numerical simulation under the influence of the cavity and SQUID decays shows that the scheme could be achieved efficiently within current state-of-the-art technology

  5. Partition functions of web diagrams with an O7{sup −}-plane

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Hirotaka [Tokai University, 4-1-1 Kitakaname,Hiratsuka, Kanagawa 259-1292 (Japan); Departamento de Física Teórica and Instituto de Física Teórica UAM/CSIC,Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Zoccarato, Gianluca [Departamento de Física Teórica and Instituto de Física Teórica UAM/CSIC,Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain)

    2017-03-22

    We consider the computation of the topological string partition function for 5-brane web diagrams with an O7{sup −}-plane. Since upon quantum resolution of the orientifold plane these diagrams become non-toric web diagrams without the orientifold we are able to apply the topological vertex to obtain the Nekrasov partition function of the corresponding 5d theory. We apply this procedure to the case of 5d SU(N) theories with one hypermultiplet in the antisymmetric representation and to the case of 5d pure USp(2N) theories. For these cases we discuss the dictionary between parameters and moduli of the 5d gauge theory and lengths of 5-branes in the web diagram and moreover we perform comparison of the results obtained via application of the topological vertex and the one obtained via localisation techniques, finding in all instances we consider perfect agreement.

  6. Equilibrium thermodynamics of the partitioning of non-steroidal anti-inflammatory drugs into human erythrocyte ghost membranes

    International Nuclear Information System (INIS)

    Omran, Ahmed A.

    2013-01-01

    Graphical abstract: Bar diagram representing thermodynamic parameters obtained for the partitioning of NSAIDs into human erythrocyte ghost membranes at physiological pH; 7.4. Highlights: • Partition coefficients of NSAIDs into HEG membranes were determined. • Thermodynamic parameters were evaluated and successfully analyzed. • Partitioning of NSAIDs into HEG membranes was exothermic. • Partitioning of NSAIDs into HEG is spontaneous with negative free energy values. • Identical partitioning enthalpy–entropy driven compensation mechanism was shown. -- Abstract: In this work,second derivative spectrophotometry was applied for determining the partition coefficients (K p s) of four non-steroidal anti-inflammatory drugs (NSAIDs; flufenamic, meclofenamic, mefenamic and niflumic acids) into human erythrocyte ghost (HEG) membranes over a temperature range from (283.2 to 313.2) K. The proposed method allowed the evaluation and direct analyses of thermodynamic parameters; enthalpy (ΔH W→M ), Gibbs energy (ΔG W→M ) and entropy (ΔS W→M ) changes of the partitioning of NSAIDs into HEG membranes. The partitioning of NSAIDs between polar aqueous phase and non-polar lipid bilayer HEG membrane phase was exothermic with negative (ΔH W→M ) which compensated for the changes in (ΔS W→M ). The negative values of (ΔG W→M ) revealed that the partitioning of NSAIDs into HEG, owing to their transfer from polar aqueous phase and non-polar HEG phase is spontaneous. The enthalpy–entropy correlation analysis resulted in a good linearity that suggests an identical partitioning enthalpy–entropy driven compensation mechanism for the studied NSAIDs

  7. Quantum Phenomena in High Energy Density Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Murnane, Margaret [Univ. of Colorado, Boulder, CO (United States); Kapteyn, Henry [Univ. of Colorado, Boulder, CO (United States)

    2017-05-10

    The possibility of implementing efficient (phase matched) HHG upconversion of deep- UV lasers in multiply-ionized plasmas, with potentially unprecedented conversion efficiency is a fascinating prospect. HHG results from the extreme nonlinear response of matter to intense laser light:high harmonics are radiated as a result of a quantum coherent electron recollision process that occurs during laser field ionization of an atom. Under current support from this grant in work published in Science in 2015, we discovered a new regime of bright HHG in highly-ionized plasmas driven by intense UV lasers, that generates bright harmonics to photon energies >280eV

  8. Exact and Effective Pair-Wise Potential for Protein-Ligand Interactions Obtained from a Semiempirical Energy Partition

    Directory of Open Access Journals (Sweden)

    André Melo

    2008-09-01

    Full Text Available In this work, the partition method introduced by Carvalho and Melo was used to study the complex between Cucurbita maxima trypsin inhibitor (CMTI-I and glycerol at the AM1 level. An effective potential, combining non-bonding and polarization plus charge transfer (PLCT terms, was introduced to evaluate the magnitude of the interaction between each amino acid and the ligand. In this case study, the nonbonding–PLCT noncompensation characterizes the stabilization energy of the association process in study. The main residues (Gly29, Cys3 and Arg5 with net attractive effects and Arg1 (with a net repulsive effect, responsible by the stability of protein-ligand complex, are associated with large nonbonding energies non-compensated by PLCT effects. The results obtained enable us to conclude that the present decomposition scheme can be used for understanding the cohesive phenomena in proteins.

  9. Quantum Yang-Mills theory on arbitrary surfaces

    International Nuclear Information System (INIS)

    Blau, Matthias; Thompson, George

    1991-05-01

    Quantum Yang-Mills theory on 2-dimensional surfaces is studied. Using path integral methods general and explicit expressions are derived for the partition function and expectation values of homologically trivial and non-trivial Wilson loops on closed surfaces of any genus, as well as for the kernels on manifolds with handles and boundaries. (author). 15 refs

  10. An asymptotic formula for the free energy density of ideal quantum gases

    International Nuclear Information System (INIS)

    Mackowiak, J.

    1988-01-01

    It is shown that the expressions for the free energy density of ideal quantum gases in the canonical and grand canonical ensembles, are identical up to additive terms which vanish in the thermodynamic limit. (orig.)

  11. Robust quantum optimizer with full connectivity.

    Science.gov (United States)

    Nigg, Simon E; Lörch, Niels; Tiwari, Rakesh P

    2017-04-01

    Quantum phenomena have the potential to speed up the solution of hard optimization problems. For example, quantum annealing, based on the quantum tunneling effect, has recently been shown to scale exponentially better with system size than classical simulated annealing. However, current realizations of quantum annealers with superconducting qubits face two major challenges. First, the connectivity between the qubits is limited, excluding many optimization problems from a direct implementation. Second, decoherence degrades the success probability of the optimization. We address both of these shortcomings and propose an architecture in which the qubits are robustly encoded in continuous variable degrees of freedom. By leveraging the phenomenon of flux quantization, all-to-all connectivity with sufficient tunability to implement many relevant optimization problems is obtained without overhead. Furthermore, we demonstrate the robustness of this architecture by simulating the optimal solution of a small instance of the nondeterministic polynomial-time hard (NP-hard) and fully connected number partitioning problem in the presence of dissipation.

  12. Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

    Science.gov (United States)

    Crespo-Otero, Rachel; Barbatti, Mario

    2018-05-16

    Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.

  13. Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

    Science.gov (United States)

    Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

    2018-05-01

    One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

  14. Explicit polarization: a quantum mechanical framework for developing next generation force fields.

    Science.gov (United States)

    Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

    2014-09-16

    Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples

  15. Safety-Critical Partitioned Software Architecture: A Partitioned Software Architecture for Robotic

    Science.gov (United States)

    Horvath, Greg; Chung, Seung H.; Cilloniz-Bicchi, Ferner

    2011-01-01

    The flight software on virtually every mission currently managed by JPL has several major flaws that make it vulnerable to potentially fatal software defects. Many of these problems can be addressed by recently developed partitioned operating systems (OS). JPL has avoided adopting a partitioned operating system on its flight missions, primarily because doing so would require significant changes in flight software design, and the risks associated with changes of that magnitude cannot be accepted by an active flight project. The choice of a partitioned OS can have a dramatic effect on the overall system and software architecture, allowing for realization of benefits far beyond the concerns typically associated with the choice of OS. Specifically, we believe that a partitioned operating system, when coupled with an appropriate architecture, can provide a strong infrastructure for developing systems for which reusability, modifiability, testability, and reliability are essential qualities. By adopting a partitioned OS, projects can gain benefits throughout the entire development lifecycle, from requirements and design, all the way to implementation, testing, and operations.

  16. 2D quantum gravity at three loops: A counterterm investigation

    Directory of Open Access Journals (Sweden)

    Lætitia Leduc

    2016-02-01

    Full Text Available We analyze the divergences of the three-loop partition function at fixed area in 2D quantum gravity. Considering the Liouville action in the Kähler formalism, we extract the coefficient of the leading divergence ∼AΛ2(ln⁡AΛ22. This coefficient is non-vanishing. We discuss the counterterms one can and must add and compute their precise contribution to the partition function. This allows us to conclude that every local and non-local divergence in the partition function can be balanced by local counterterms, with the only exception of the maximally non-local divergence (ln⁡AΛ23. Yet, this latter is computed and does cancel between the different three-loop diagrams. Thus, requiring locality of the counterterms is enough to renormalize the partition function. Finally, the structure of the new counterterms strongly suggests that they can be understood as a renormalization of the measure action.

  17. Anharmonic effects in the quantum cluster equilibrium method

    Science.gov (United States)

    von Domaros, Michael; Perlt, Eva

    2017-03-01

    The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.

  18. Photoionization cross section and binding energy of single dopant in hollow cylindrical core/shell quantum dot

    Science.gov (United States)

    Feddi, E.; El-Yadri, M.; Dujardin, F.; Restrepo, R. L.; Duque, C. A.

    2017-02-01

    In this study, we have investigated the confined donor impurity in a hollow cylindrical-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with rigid walls. Within the framework of the effective-mass approximation and by using a simple variational approach, we have computed the donor binding energy as a function of the shell sizes in order to study the behavior of the electron-impurity attraction for a very small thickness. Our results show that the binding energy of a donor impurity placed at the center of cylindrical core/shell dots depends strongly on the shell size. The binding energy increases when the shell-wideness becomes smaller and shows the same behavior as in a simple cylindrical quantum dot. A special case has been studied, which corresponds to the ratio between the inner and outer radii near to one (a/b → 1) for which our model gives a non-significant behavior of the impurity binding energy. This fact implies the existence of a critical value (a/b) for which the binding energy of the donor impurity tends to the limit value of 4 effective Rydbergs as in a 2D quantum well. We also analyse the photoionization cross section considering only the in-plane incident radiation polarization. We determine its behavior as a function of photon energy, shell size, and donor position. The measurement of photoionization in such systems would be of great interest to understand the optical properties of carriers in quantum dots.

  19. Finite-size scaling for quantum chains with an oscillatory energy gap

    International Nuclear Information System (INIS)

    Hoeger, C.; Gehlen, G. von; Rittenberg, V.

    1984-07-01

    We show that the existence of zeroes of the energy gap for finite quantum chains is related to a nonvanishing wavevector. Finite-size scaling ansaetze are formulated for incommensurable and oscillatory structures. The ansaetze are verified in the one-dimensional XY model in a transverse field. (orig.)

  20. Engineering Vibrationally Assisted Energy Transfer in a Trapped-Ion Quantum Simulator

    Science.gov (United States)

    Gorman, Dylan J.; Hemmerling, Boerge; Megidish, Eli; Moeller, Soenke A.; Schindler, Philipp; Sarovar, Mohan; Haeffner, Hartmut

    2018-01-01

    Many important chemical and biochemical processes in the condensed phase are notoriously difficult to simulate numerically. Often, this difficulty arises from the complexity of simulating dynamics resulting from coupling to structured, mesoscopic baths, for which no separation of time scales exists and statistical treatments fail. A prime example of such a process is vibrationally assisted charge or energy transfer. A quantum simulator, capable of implementing a realistic model of the system of interest, could provide insight into these processes in regimes where numerical treatments fail. We take a first step towards modeling such transfer processes using an ion-trap quantum simulator. By implementing a minimal model, we observe vibrationally assisted energy transport between the electronic states of a donor and an acceptor ion augmented by coupling the donor ion to its vibration. We tune our simulator into several parameter regimes and, in particular, investigate the transfer dynamics in the nonperturbative regime often found in biochemical situations.

  1. Förster Resonance Energy Transfer between Quantum Dot Donors and Quantum Dot Acceptors

    Directory of Open Access Journals (Sweden)

    Kenny F. Chou

    2015-06-01

    Full Text Available Förster (or fluorescence resonance energy transfer amongst semiconductor quantum dots (QDs is reviewed, with particular interest in biosensing applications. The unique optical properties of QDs provide certain advantages and also specific challenges with regards to sensor design, compared to other FRET systems. The brightness and photostability of QDs make them attractive for highly sensitive sensing and long-term, repetitive imaging applications, respectively, but the overlapping donor and acceptor excitation signals that arise when QDs serve as both the donor and acceptor lead to high background signals from direct excitation of the acceptor. The fundamentals of FRET within a nominally homogeneous QD population as well as energy transfer between two distinct colors of QDs are discussed. Examples of successful sensors are highlighted, as is cascading FRET, which can be used for solar harvesting.

  2. Polymers as reference partitioning phase: polymer calibration for an analytically operational approach to quantify multimedia phase partitioning

    DEFF Research Database (Denmark)

    Gilbert, Dorothea; Witt, Gesine; Smedes, Foppe

    2016-01-01

    Polymers are increasingly applied for the enrichment of hydrophobic organic chemicals (HOCs) from various types of samples and media in many analytical partitioning-based measuring techniques. We propose using polymers as a reference partitioning phase and introduce polymer-polymer partitioning......-air) and multimedia partition coefficients (lipid-water, air-water) were calculated by applying the new concept of a polymer as reference partitioning phase and by using polymer-polymer partition coefficients as conversion factors. The present study encourages the use of polymer-polymer partition coefficients...

  3. Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

    Science.gov (United States)

    Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

    2015-04-30

    The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

  4. Thermodynamics and statistical mechanics. [thermodynamic properties of gases

    Science.gov (United States)

    1976-01-01

    The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

  5. Expedited Holonomic Quantum Computation via Net Zero-Energy-Cost Control in Decoherence-Free Subspace.

    Science.gov (United States)

    Pyshkin, P V; Luo, Da-Wei; Jing, Jun; You, J Q; Wu, Lian-Ao

    2016-11-25

    Holonomic quantum computation (HQC) may not show its full potential in quantum speedup due to the prerequisite of a long coherent runtime imposed by the adiabatic condition. Here we show that the conventional HQC can be dramatically accelerated by using external control fields, of which the effectiveness is exclusively determined by the integral of the control fields in the time domain. This control scheme can be realized with net zero energy cost and it is fault-tolerant against fluctuation and noise, significantly relaxing the experimental constraints. We demonstrate how to realize the scheme via decoherence-free subspaces. In this way we unify quantum robustness merits of this fault-tolerant control scheme, the conventional HQC and decoherence-free subspace, and propose an expedited holonomic quantum computation protocol.

  6. Quantum mechanics of electronic-rotational energy transfer in F(2P) + H2 collisions

    International Nuclear Information System (INIS)

    Wyatt, R.E.; Walker, R.B.

    1977-01-01

    A theoretical study is made of electronic-rotational energy transfer in F( 2 P) + H 2 three-dimensional collisions, with electronic matrix elements from DIM theory. The quantum close-coupled equations are integrated via the R-matrix propagation method. Inelastic quenching probabilities are emphasized, with and without simulated open reaction channels. Interweaving patterns in the transition probability for even and odd nuclear parity vs. J (total angular momentum quantum number) are analyzed in terms of avoided crossing structure in the electrotational energy correlation diagrams. Localized regions where electronic quenching is dominant are identified in the correlation diagrams, and are confirmed in separate calculations which neglect interchannel mixing in local regions of the atom-molecule separation. Open reaction channels are found to have little influence on the quenching probabilities in these low energy calculations

  7. Partitioning high-level waste from alkaline solution: A literature survey

    International Nuclear Information System (INIS)

    Marsh, S.F.

    1993-05-01

    Most chemical partitioning procedures are designed for acidic feed solutions. However, the high-level waste solutions in the underground storage tanks at US Department of Energy defense production sites are alkaline. Effective partitioning procedures for alkaline solutions could decrease the need to acidify these solutions and to dissolve the solids in acid, which would simplify subsequent processing and decrease the generation of secondary waste. The author compiles candidate technologies from his review of the chemical literature, experience, and personal contacts. Several of these are recommended for evaluation

  8. Quantum control limited by quantum decoherence

    International Nuclear Information System (INIS)

    Xue, Fei; Sun, C. P.; Yu, S. X.

    2006-01-01

    We describe quantum controllability under the influences of the quantum decoherence induced by the quantum control itself. It is shown that, when the controller is considered as a quantum system, it will entangle with its controlled system and then cause quantum decoherence in the controlled system. In competition with this induced decoherence, the controllability will be limited by some uncertainty relation in a well-armed quantum control process. In association with the phase uncertainty and the standard quantum limit, a general model is studied to demonstrate the possibility of realizing a decoherence-free quantum control with a finite energy within a finite time. It is also shown that if the operations of quantum control are to be determined by the initial state of the controller, then due to the decoherence which results from the quantum control itself, there exists a low bound for quantum controllability

  9. Binding energy of impurity states in an inverse parabolic quantum well under magnetic field

    International Nuclear Information System (INIS)

    Kasapoglu, E.; Sari, H.; Soekmen, I.

    2007-01-01

    We have investigated the effects of the magnetic field which is directed perpendicular to the well on the binding energy of the hydrogenic impurities in an inverse parabolic quantum well (IPQW) with different widths as well as different Al concentrations at the well center. The Al concentration at the barriers was always x max =0.3. The calculations were performed within the effective mass approximation, using a variational method. We observe that IPQW structure turns into parabolic quantum well with the inversion effect of the magnetic field and donor impurity binding energy in IPQW strongly depends on the magnetic field, Al concentration at the well center and well dimensions

  10. Energy correlations in perturbative quantum chromodynamics: a conjecture for all orders

    International Nuclear Information System (INIS)

    Basham, C.L.; Brown, L.S.; Ellis, S.D.; Love, S.T.

    1979-01-01

    The hadronic energy produced in high-energy electron-positron annihilation has an angular correlation which can be computed by the asymptotically free perturbation theory of quantum chromodynamics. In finite orders, the correlation is not well behaved as the detectors become anti-collinear. The leading behaviour has been calculated to fourth order and an exponential expression for the sum of all orders is discussed. This expression obeys a non-trivial sum rule which lends support for its validity. (Auth.)

  11. Photoluminescence Enhancement of Silole-Capped Silicon Quantum Dots Based on Förster Resonance Energy Transfer.

    Science.gov (United States)

    Kim, Seongwoong; Kim, Sungsoo; Ko, Young Chun; Sohn, Honglae

    2015-07-01

    Photoluminescent porous silicon were prepared by an electrochemical etch of n-type silicon under the illumination with a 300 W tungsten filament bulb for the duration of etch. The red photoluminescence emitting at 650 nm with an excitation wavelength of 450 nm is due to the quantum confinement of silicon quantum dots in porous silicon. HO-terminated red luminescent PS was obtained by an electrochemical treatment of fresh PS with the current of 150 mA for 60 seconds in water and sodium chloride. As-prepared PS was sonicated, fractured, and centrifuged in toluene solution to obtain photoluminescence silicon quantum dots. Dichlorotetraphenylsilole exhibiting an emission band at 520 nm was reacted with HO-terminated silicon quantum dots to give a silole-capped silicon quantum dots. The optical characterization of silole-derivatized silicon quantum dots was investigated by UV-vis and fluorescence spectrometer. The fluorescence emission efficiency of silole-capped silicon quantum dots was increased by about 2.5 times due to F6rster resonance energy transfer from silole moiety to silicon quantum dots.

  12. Some exactly solvable models in quantum mechanics and the low energy expansions

    International Nuclear Information System (INIS)

    Albeverio, S.; Hoeegh-Krohn, R.; Holden, H.; Gesztesy, F.

    We give an overview of recent results on exactly solvable models in quantum mechanics. In particular we discuss point interactions located at finitely or infinitely many centers, in one and three dimensions. Results about the resolvent, energy eigenvalues and resonances, scattering quantitites as well as eigenfunctions and corresponding low energy expansions are mentioned, with particular attention to the case of three-dimensional crystals. (orig.)

  13. Polyacrylate–water partitioning of biocidal compounds: Enhancing the understanding of biocide partitioning between render and water

    DEFF Research Database (Denmark)

    Bollmann, Ulla E.; Ou, Yi; Mayer, Philipp

    2014-01-01

    -N-octylisothiazolinone). The correlation of the polyacrylate-water partition constants with the octanol-water partition constants is significant, but the polyacrylate-water partition constants were predominantly below octanol-water partition constants (Kow). The comparison with render-water distribution constants showed that estimating...

  14. Electric-Field-Induced Energy Tuning of On-Demand Entangled-Photon Emission from Self-Assembled Quantum Dots.

    Science.gov (United States)

    Zhang, Jiaxiang; Zallo, Eugenio; Höfer, Bianca; Chen, Yan; Keil, Robert; Zopf, Michael; Böttner, Stefan; Ding, Fei; Schmidt, Oliver G

    2017-01-11

    We explore a method to achieve electrical control over the energy of on-demand entangled-photon emission from self-assembled quantum dots (QDs). The device used in our work consists of an electrically tunable diode-like membrane integrated onto a piezoactuator, which is capable of exerting a uniaxial stress on QDs. We theoretically reveal that, through application of the quantum-confined Stark effect to QDs by a vertical electric field, the critical uniaxial stress used to eliminate the fine structure splitting of QDs can be linearly tuned. This feature allows experimental realization of a triggered source of energy-tunable entangled-photon emission. Our demonstration represents an important step toward realization of a solid-state quantum repeater using indistinguishable entangled photons in Bell state measurements.

  15. Entropy based file type identification and partitioning

    Science.gov (United States)

    2017-06-01

    energy spectrum,” Proceedings of the Twenty-Ninth International Florida Artificial Intelligence Research Society Conference, pp. 288–293, 2016...ABBREVIATIONS AES Advanced Encryption Standard ANN Artificial Neural Network ASCII American Standard Code for Information Interchange CWT...the identification of file types and file partitioning. This approach has applications in cybersecurity as it allows for a quick determination of

  16. Partitioning of respiratory energy and environmental tolerance in the copepods Calanipeda aquaedulcis and Arctodiaptomus salinus

    Science.gov (United States)

    Svetlichny, Leonid; Khanaychenko, Antonina; Hubareva, Elena; Aganesova, Larisa

    2012-12-01

    Total and basal metabolism was studied in the widely distributed copepod species Calanipeda aquaedulcis and Arctodiaptomus salinus of both genders in order to estimate respiratory energy partitioning. Specific oxygen consumption was found to double in C. aquaedulcis than in A. salinus, and double in males than in females both in terms of total and basal metabolism. Respiration rates in females carrying ovisacs were 1.49 and 1.43 times higher than those in females without ovisacs for C. aquaedulcis and A. salinus, respectively. Extra energy expenditures are due to carrying ovisacs and egg respiration. There was no significant effect of salinity (0.1-40), oxygen concentration (1-8 mg O2 l-1) or crowding on oxygen consumption confirming the hypothesis that C. aquaedulcis and A. salinus are the animals with a type of respiratory metabolism independent of salinity and oxygen concentration. At critical oxygen concentrations less than 1 mg O2 l-1 respiration rate fell notably by approximately an order of magnitude in both species and in both genders.

  17. Supersymmetric quantum mechanics, phase equivalence, and low energy scattering anomalies

    International Nuclear Information System (INIS)

    Amado, R.D.; Cannata, F.; Dedonder, J.P.

    1991-01-01

    Supersymmetric quantum mechanics links two Hamiltonians with the same scattering (phase equivalence) but different number of bound states. We examine the Green's functions for these Hamiltonians as a prelude to embedding the two-body dynamics in a many-body system. We study the effect of the elimination of a two-body bound state near zero energy for the Efimov effect and Beg's theorem

  18. Cost efficient CFD simulations: Proper selection of domain partitioning strategies

    Science.gov (United States)

    Haddadi, Bahram; Jordan, Christian; Harasek, Michael

    2017-10-01

    Computational Fluid Dynamics (CFD) is one of the most powerful simulation methods, which is used for temporally and spatially resolved solutions of fluid flow, heat transfer, mass transfer, etc. One of the challenges of Computational Fluid Dynamics is the extreme hardware demand. Nowadays super-computers (e.g. High Performance Computing, HPC) featuring multiple CPU cores are applied for solving-the simulation domain is split into partitions for each core. Some of the different methods for partitioning are investigated in this paper. As a practical example, a new open source based solver was utilized for simulating packed bed adsorption, a common separation method within the field of thermal process engineering. Adsorption can for example be applied for removal of trace gases from a gas stream or pure gases production like Hydrogen. For comparing the performance of the partitioning methods, a 60 million cell mesh for a packed bed of spherical adsorbents was created; one second of the adsorption process was simulated. Different partitioning methods available in OpenFOAM® (Scotch, Simple, and Hierarchical) have been used with different numbers of sub-domains. The effect of the different methods and number of processor cores on the simulation speedup and also energy consumption were investigated for two different hardware infrastructures (Vienna Scientific Clusters VSC 2 and VSC 3). As a general recommendation an optimum number of cells per processor core was calculated. Optimized simulation speed, lower energy consumption and consequently the cost effects are reported here.

  19. Calculation of quantum-mechanical system energy spectra using path integrals

    International Nuclear Information System (INIS)

    Evseev, A.M.; Dmitriev, V.P.

    1977-01-01

    A solution of the Feynman quantum-mechanical integral connecting a wave function (psi (x, t)) at a moment t+tau (tau → 0) with the wave function at the moment t is provided by complex variable substitution and subsequent path integration. Time dependence of the wave function is calculated by the Monte Carlo method. The Fourier inverse transformation of the wave function by path integration calculated has been applied to determine the energy spectra. Energy spectra are presented of a hydrogen atom derived from wave function psi (x, t) at different x, as well as boson energy spectra of He, Li, and Be atoms obtained from psi (x, t) at X = O

  20. Classical limit for quantum mechanical energy eigenfunctions

    International Nuclear Information System (INIS)

    Sen, D.; Sengupta, S.

    2004-01-01

    The classical limit problem is discussed for the quantum mechanical energy eigenfunctions using the Wentzel-Kramers-Brillouin approximation, free from the problem at the classical turning points. A proper perspective of the whole issue is sought to appreciate the significance of the discussion. It is observed that for bound states in arbitrary potential, appropriate limiting condition is definable in terms of a dimensionless classical limit parameter leading smoothly to all observable classical results. Most important results are the emergence of classical phase space, keeping the observable distribution functions non-zero only within the so-called classical region at the limit point and resolution of some well-known paradoxes. (author)

  1. Density Profiles, Energy, and Oscillation Strength of a Quantum Dot in Two Dimensions with a Harmonic Oscillator External Potential using an Orbital-free Energy Functional Based on Thomas–Fermi Theory

    Directory of Open Access Journals (Sweden)

    Suhufa Alfarisa

    2016-03-01

    Full Text Available This research aims i to determine the density profile and calculate the ground state energy of a quantum dot in two dimensions (2D with a harmonic oscillator potential using orbital-free density functional theory, and ii to understand the effect of the harmonic oscillator potential strength on the electron density profiles in the quantum dot. This study determines the total energy functional of the quantum dot that is a functional of the density that depends only on spatial variables. The total energy functional consists of three terms. The first term is the kinetic energy functional, which is the Thomas–Fermi approximation in this case. The second term is the external potential. The harmonic oscillator potential is used in this study. The last term is the electron–electron interactions described by the Coulomb interaction. The functional is formally solved to obtain the electron density as a function of spatial variables. This equation cannot be solved analytically, and thus a numerical method is used to determine the profile of the electron density. Using the electron density profiles, the ground state energy of the quantum dot in 2D can be calculated. The ground state energies obtained are 2.464, 22.26, 90.1957, 252.437, and 496.658 au for 2, 6, 12, 20, and 56 electrons, respectively. The highest electron density is localized close to the middle of the quantum dot. The density profiles decrease with the increasing distance, and the lowest density is at the edge of the quantum dot. Generally, increasing the harmonic oscillator potential strength reduces the density profiles around the center of the quantum dot.

  2. Spin-singlet quantum Hall states and Jack polynomials with a prescribed symmetry

    International Nuclear Information System (INIS)

    Estienne, Benoit; Bernevig, B. Andrei

    2012-01-01

    We show that a large class of bosonic spin-singlet Fractional Quantum Hall model wavefunctions and their quasihole excitations can be written in terms of Jack polynomials with a prescribed symmetry. Our approach describes new spin-singlet quantum Hall states at filling fraction ν=(2k)/(2r-1) and generalizes the (k,r) spin-polarized Jack polynomial states. The NASS and Halperin spin-singlet states emerge as specific cases of our construction. The polynomials express many-body states which contain configurations obtained from a root partition through a generalized squeezing procedure involving spin and orbital degrees of freedom. The corresponding generalized Pauli principle for root partitions is obtained, allowing for counting of the quasihole states. We also extract the central charge and quasihole scaling dimension, and propose a conjecture for the underlying CFT of the (k,r) spin-singlet Jack states.

  3. Transfer and partitioning of energy and mass through seafloor hydrothermal systems: comparative studies at the Ridge2000 Integrated Study Sites (ISS) (Invited)

    Science.gov (United States)

    Tivey, M. K.

    2010-12-01

    Seafloor hydrothermal systems are major players in the transfer of mass and energy from the mantle and crust to the ocean and biosphere. Over the past thirty years, much has been learned about this transfer to the ocean, but considerably less is known about the transfer to the biosphere. Study of hydrothermal systems in a diverse range of geologic settings has shown relationships between spreading rate and hydrothermal heat flux, substrate composition (including rock geochemistry, presence/absence of sediment) and hydrothermal fluid composition, and magmatic/tectonic events and temporal variability of fluid composition (e.g., German and Von Damm, Treatise On Geochemistry, 2004; Baker et al. AGU Monograph Series 91, 1995). Studies in arc and back-arc settings are documenting the effects of magmatic acid volatiles on fluid-rock reaction and fluid and vent deposit compositions (e.g., Ishibashi and Urabe, Backarc Basins: Tectonics and Magmatism, 1995). These comparative studies in a wide range of geologic settings, including at the three Ridge2000 ISS, have provided a fairly good understanding of the flux of heat and many elements to the ocean associated with high temperature seafloor hydrothermal systems. Considerably less is known, however, about the partitioning of heat and mass (particularly metals and sulfur) in hydrothermal systems. The deposits that form at vent sites are intimately linked within paths of energy and mass transport from the mantle and crust to the oceans. Transport differs greatly through different types of deposits (e.g., black smokers, white smokers/diffusers, flanges). Estimates of heat flux from measured temperatures of flow (unless integrated over and around an entire vent field) require an understanding of the partitioning of flow between focused black smokers and more diffuse flow from diffusers, flanges, and surfaces of deposits, and from the igneous substrate. Estimates of mass flux into the ocean require an understanding of the

  4. Luminescence model with quantum impact parameter for low energy ions

    CERN Document Server

    Cruz-Galindo, H S; Martínez-Davalos, A; Belmont-Moreno, E; Galindo, S

    2002-01-01

    We have modified an analytical model of induced light production by energetic ions interacting in scintillating materials. The original model is based on the distribution of energy deposited by secondary electrons produced along the ion's track. The range of scattered electrons, and thus the energy distribution, depends on a classical impact parameter between the electron and the ion's track. The only adjustable parameter of the model is the quenching density rho sub q. The modification here presented, consists in proposing a quantum impact parameter that leads to a better fit of the model to the experimental data at low incident ion energies. The light output response of CsI(Tl) detectors to low energy ions (<3 MeV/A) is fitted with the modified model and comparison is made to the original model.

  5. Environment-assisted Quantum Critical Effect for Excitation Energy Transfer in a LH2-type Trimer

    Science.gov (United States)

    Xu, Lan; Xu, Bo

    2015-10-01

    In this article, we are investigating excitation energy transfer (EET) in a basic unit cell of light-harvesting complex II (LH2), named a LH2-type trimer. Calculation of energy transfer efficiency (ETE) in the framework of non-Markovian environment is also implemented. With these achievements, we theoretically predict the environment-assisted quantum critical effect, where ETE exhibits a sudden change at the critical point of quantum phase transition (QPT) for the LH2-type trimer. It is found that highly efficient EET with nearly unit efficiency may occur in the vicinity of the critical point of QPT.

  6. Quantum shielding effects on the Gamow penetration factor for nuclear fusion reaction in quantum plasmas

    Science.gov (United States)

    Lee, Myoung-Jae; Jung, Young-Dae

    2017-01-01

    The quantum shielding effects on the nuclear fusion reaction process are investigated in quantum plasmas. The closed expression of the classical turning point for the Gamow penetration factor in quantum plasmas is obtained by the Lambert W-function. The closed expressions of the Gamow penetration factor and the cross section for the nuclear fusion reaction in quantum plasmas are obtained as functions of the plasmon energy and the relative kinetic energy by using the effective interaction potential with the WKB analysis. It is shown that the influence of quantum screening suppresses the Sommerfeld reaction factor. It is also shown that the Gamow penetration factor increases with an increase of the plasmon energy. It is also shown that the quantum shielding effect enhances the deuterium formation by the proton-proton reaction in quantum plasmas. In addition, it is found that the energy dependences on the reaction cross section and the Gamow penetration factor are more significant in high plasmon-energy domains.

  7. Observability of localized magnetoplasmons in quantum dots: Scrutinizing the eligibility of far-infrared, Raman, and electron-energy-loss spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Kushwaha, Manvir S. [Department of Physics and Astronomy, Rice University, P.O. Box 1892, Houston, Texas 77251 (United States)

    2016-03-15

    We investigate a one-component, quasi-zero dimensional, quantum plasma exposed to a parabolic potential and an applied magnetic field in the symmetric gauge. If the size of such a system as can be realized in the semiconducting quantum dots is on the order of the de-Broglie wavelength, the electronic and optical properties become highly tunable. Then the quantum size effects challenge the observation of many-particle phenomena such as the magneto-optical absorption, Raman intensity, and electron energy-loss spectrum. An exact analytical solution of the problem leads us to infer that these many-particle phenomena are, in fact, dictated by the generalized Kohn’s theorem (GKT) in the long-wavelength limit. Maneuvering the confinement and/or the magnetic field furnishes the resonance energies capable of being explored with the FIR, Raman, and/or electron-energy-loss spectroscopy. This implies that either of these probes is competent in observing the localized magnetoplasmons in the system. As an application of the rigorous analytical diagnosis of the system, we have presented various pertinent single-particle, such as Fock-Darwin spectrum, Fermi energy, zigzag excitation spectrum, and magneto-optical transitions, and the many-particle phenomena, such as magneto-optical absorption, Raman intensity, and electron energy-loss probability. In the latter, the energy position of the resonance peaks is observed to be independent of the electron-electron interactions and hence of the number of electrons in the quantum dot in compliance with the GKT. It is found that both confinement potential and magnetic field play a decisive role in influencing the aforementioned many-particle phenomena. Specifically, increasing (decreasing) the strength of the confining potential is found to be analogous to shrinking (expanding) the size of the quantum dots and results into a blue (red) shift in the respective spectra. Intensifying the magnetic field has two-fold effects in the resonance

  8. The big experimental manual of Free Energy. Cold Fusion - Tesla-Waves - Space-Quantum-Energy - a.o.; Das grosse Freie Energie Experimentier-Handbuch. Kalte Fusion - Tesla-Wellen - Raum-Quanten-Energie - u.v.m.

    Energy Technology Data Exchange (ETDEWEB)

    Lay, P.; Chmela, H.; Wiedergut, W.

    2004-07-01

    The main topics of the lectures are: Experiments on cold fusion; Information on space-quantum energy; phenomena of rotating magnets; advanced electrostatic motors; generation of scalar waves; complex rotating fields and levitation from an advanced view; free energy converters. (GL)

  9. Quantum size effect and thermal stability of carbon-nanotube-based quantum dot

    International Nuclear Information System (INIS)

    Huang, N.Y.; Peng, J.; Liang, S.D.; Li, Z.B.; Xu, N.S.

    2004-01-01

    Full text: Based on semi-experience quantum chemical calculation, we have investigated the quantum size effect and thermal stability of open-end carbon nanotube (5, 5) quantum dots of 20 to 400 atoms. It was found that there is a gap in the energy band of all carbon nanotube (5, 5) quantum dots although a (5, 5) carbon nanotube is metallic. The energy gap of quantum dots is much dependent of the number of atoms in a dot, as a result of the quantization rules imposed by the finite scales in both radial and axial directions of a carbon nanotube quantum dot. Also, the heat of formation of carbon nanotube quantum dots is dependent of the size of a quantum dot. (author)

  10. The complex formation-partition and partition-association models of solvent extraction of ions

    International Nuclear Information System (INIS)

    Siekierski, S.

    1976-01-01

    Two models of the extraction process have been proposed. In the first model it is assumed that the partitioning neutral species is at first formed in the aqueous phase and then transferred into the organic phase. The second model is based on the assumption that equivalent amounts of cations are at first transferred from the aqueous into the organic phase and then associated to form a neutral molecule. The role of the solubility parameter in extraction and the relation between the solubility of liquid organic substances in water and the partition of complexes have been discussed. The extraction of simple complexes and complexes with organic ligands has been discussed using the first model. Partition coefficients have been calculated theoretically and compared with experimental values in some very simple cases. The extraction of ion pairs has been discussed using the partition-association model and the concept of single-ion partition coefficients. (author)

  11. Finiteness of Lorentzian 10j symbols and partition functions

    International Nuclear Information System (INIS)

    Christensen, J Daniel

    2006-01-01

    We give a short and simple proof that the Lorentzian 10j symbol, which forms a key part of the Barrett-Crane model of Lorentzian quantum gravity, is finite. The argument is very general, and applies to other integrals. For example, we show that the Lorentzian and Riemannian causal 10j symbols are finite, despite their singularities. Moreover, we show that integrals that arise in Cherrington's work are finite. Cherrington has shown that this implies that the Lorentzian partition function for a single triangulation is finite, even for degenerate triangulations. Finally, we also show how to use these methods to prove finiteness of integrals based on other graphs and other homogeneous domains

  12. Quantum background independence in string theory

    International Nuclear Information System (INIS)

    Witten, E.

    1994-01-01

    Not only in physical string theories, but also in some highly simplified situations, background independence has been difficult to understand. It is argued that the ''holomorphic anomaly'' of Bershadsky, Cecotti, Ooguri and Vafa gives a fundamental explanation of some of the problems. Moreover, their anomaly equation can be interpreted in terms of a rather peculiar quantum version of background independence: in systems afflicted by the anomaly, background independence does not hold order by order in perturbation theory, but the exact partition function as a function of the coupling constants has a background independent interpretation as a state in an auxiliary quantum Hilbert space. The significance of this auxiliary space is otherwise unknown. (author). 23 refs

  13. Quantum Mechanics on the h-deformed Quantum Plane

    OpenAIRE

    Cho, Sunggoo

    1998-01-01

    We find the covariant deformed Heisenberg algebra and the Laplace-Beltrami operator on the extended $h$-deformed quantum plane and solve the Schr\\"odinger equations explicitly for some physical systems on the quantum plane. In the commutative limit the behaviour of a quantum particle on the quantum plane becomes that of the quantum particle on the Poincar\\'e half-plane, a surface of constant negative Gaussian curvature. We show the bound state energy spectra for particles under specific poten...

  14. COMPUTING VERTICES OF INTEGER PARTITION POLYTOPES

    Directory of Open Access Journals (Sweden)

    A. S. Vroublevski

    2015-01-01

    Full Text Available The paper describes a method of generating vertices of the polytopes of integer partitions that was used by the authors to calculate all vertices and support vertices of the partition polytopes for all n ≤ 105 and all knapsack partitions of n ≤ 165. The method avoids generating all partitions of n. The vertices are determined with the help of sufficient and necessary conditions; in the hard cases, the well-known program Polymake is used. Some computational aspects are exposed in more detail. These are the algorithm for checking the criterion that characterizes partitions that are convex combinations of two other partitions; the way of using two combinatorial operations that transform the known vertices to the new ones; and employing the Polymake to recognize a limited number (for small n of partitions that need three or more other partitions for being convexly expressed. We discuss the computational results on the numbers of vertices and support vertices of the partition polytopes and some appealing problems these results give rise to.

  15. Symmetry and symmetry breaking in quantum mechanics; Symetrie et brisure de symetrie en mechanique quantique

    Energy Technology Data Exchange (ETDEWEB)

    Chomaz, Philippe [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)

    1998-12-31

    In the world of infinitely small, the world of atoms, nuclei and particles, the quantum mechanics enforces its laws. The discovery of Quanta, this unbelievable castration of the Possible in grains of matter and radiation, in discrete energy levels compels us of thinking the Single to comprehend the Universal. Quantum Numbers, magic Numbers and Numbers sign the wave. The matter is vibration. To describe the music of the world one needs keys, measures, notes, rules and partition: one needs quantum mechanics. The particles reduce themselves not in material points as the scholars of the past centuries thought, but they must be conceived throughout the space, in the accomplishment of shapes of volumes. When Einstein asked himself whether God plays dice, there was no doubt among its contemporaries that if He exists He is a geometer. In a Nature reduced to Geometry, the symmetries assume their role in servicing the Harmony. The symmetries allow ordering the energy levels to make them understandable. They impose there geometrical rules to the matter waves, giving them properties which sometimes astonish us. Hidden symmetries, internal symmetries and newly conceived symmetries have to be adopted subsequently to the observation of some order in this world of Quanta. In turn, the symmetries provide new observables which open new spaces of observation 17 refs., 16 figs.

  16. Surface effects in quantum spin chains

    International Nuclear Information System (INIS)

    Parkinson, J B

    2004-01-01

    Chains of quantum spins with open ends and isotropic Heisenberg exchange are studied. By diagonalizing the Hamiltonian for chains of finite length N and obtaining all the energy eigenvalues, the magnetic susceptibility χ, the specific heat C v , and the partition function Z can be calculated exactly for these chains. The high-temperature series expansions of these are then evaluated. For χ and C v it is found that the terms in the series consist of three parts. One is the normal high-T series already known in great detail for the N → infinity ring(chain with periodic boundary conditions). The other two consist of a 'surface' term and a correction term of order (1/T) N . The surface term is found as a series up to and including (1/T) 8 for spin S = 1/2 and 1. Simple Pade approximant formulae are given to extend the range of validity below T = 1

  17. Simulation of MeV electron energy deposition in CdS quantum dots absorbed in silicate glass for radiation dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Baharin, R; Hobson, P R; Smith, D R, E-mail: ruzalina.baharin@brunel.ac.u [Centre for Sensors and Instrumentation, School of Engineering and Design, Brunel University, Uxbridge UB8 3PH (United Kingdom)

    2010-09-01

    We are currently developing 2D dosimeters with optical readout based on CdS or CdS/CdSe core-shell quantum-dots using commercially available materials. In order to understand the limitations on the measurement of a 2D radiation profile the 3D deposited energy profile of MeV energy electrons in CdS quantum-dot-doped silica glass have been studied by Monte Carlo simulation using the CASINO and PENELOPE codes. Profiles for silica glass and CdS quantum-dot-doped silica glass were then compared.

  18. Simulation of MeV electron energy deposition in CdS quantum dots absorbed in silicate glass for radiation dosimetry

    International Nuclear Information System (INIS)

    Baharin, R; Hobson, P R; Smith, D R

    2010-01-01

    We are currently developing 2D dosimeters with optical readout based on CdS or CdS/CdSe core-shell quantum-dots using commercially available materials. In order to understand the limitations on the measurement of a 2D radiation profile the 3D deposited energy profile of MeV energy electrons in CdS quantum-dot-doped silica glass have been studied by Monte Carlo simulation using the CASINO and PENELOPE codes. Profiles for silica glass and CdS quantum-dot-doped silica glass were then compared.

  19. On the size and temperature dependence of the energy gap in cadmium-selenide quantum dots embedded in fluorophosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Lipatova, Zh. O., E-mail: zluka-yo@mail.ru; Kolobkova, E. V.; Babkina, A. N.; Nikonorov, N. V. [ITMO University (Russian Federation)

    2017-03-15

    The temperature and size dependences of the energy gap in CdSe quantum dots with diameters of 2.4, 4.0, and 5.2 nm embedded in fluorophosphate glasses are investigated. It is shown that the temperature coefficient of the band gap dE{sub g}/dT in the quantum dots differs from the bulk value and depends strictly on the dot size. It is found that, furthermore, the energy of each transition in these quantum dots is characterized by an individual temperature coefficient dE/dT.

  20. Cosmology with a decaying vacuum energy parametrization derived from quantum mechanics

    International Nuclear Information System (INIS)

    Szydłowski, M; Stachowski, A; Urbanowski, K

    2015-01-01

    Within the quantum mechanical treatment of the decay problem one finds that at late times tthe survival probability of an unstable state cannot have the form of an exponentially decreasing function of time t but it has an inverse power-like form. This is a general property of unstable states following from basic principles of quantum theory. The consequence of this property is that in the case of false vacuum states the cosmological constant becomes dependent on time: Λ — Λ bare ≡ Λ(t) — Λ bare ∼ 1/t 2 . We construct the cosmological model with decaying vacuum energy density and matter for solving the cosmological constant problem and the coincidence problem. We show the equivalence of the proposed decaying false vacuum cosmology with the Λ(t) cosmologies (the Λ(t)CDM models). The cosmological implications of the model of decaying vacuum energy (dark energy) are discussed. We constrain the parameters of the model with decaying vacuum using astronomical data. For this aim we use the observation of distant supernovae of type Ia, measurements of H(z), BAO, CMB and others. The model analyzed is in good agreement with observation data and explain a small value of the cosmological constant today. (paper)

  1. Energy-momentum tensor in quantum field theory

    International Nuclear Information System (INIS)

    Fujikawa, K.

    1981-01-01

    The definition of the energy-momentum tensor as a source current coupled to the background gravitational field receives an important modification in quantum theory. In the path-integral approach, the manifest covariance of the integral measure under general coordinate transformations dictates that field variables with weight 1/2 should be used as independent integration variables. An improved energy-momentum tensor is then generated by the variational derivative, and it gives rise to well-defined gravitational conformal (Weyl) anomalies. In the flat--space-time limit, all the Ward-Takahashi identities associated with space-time transformations including the global dilatation become free from anomalies in terms of this energy-momentum tensor, reflecting the general covariance of the integral measure; the trace of this tensor is thus finite at zero momentum transfer for renormalizable theories. The Jacobian for the local conformal transformation, however, becomes nontrivial, and it gives rise to an anomaly for the conformal identity. All the familiar anomalies are thus reduced to either chiral or conformal anomalies. The consistency of the dilatation and conformal identities at vanishing momentum transfer determines the trace anomaly of this energy-momentum tensor in terms of the renormalization-group b function and other parameters. In contrast, the trace of the conventional energy-momentum tensor generally diverges even at vanishing momentum transfer depending on the regularization scheme, and it is subtractively renormalized. We also explain how the apparently different renormalization properties of the chiral and trace anomalies arise

  2. Energy-momentum tensor in quantum field theory

    International Nuclear Information System (INIS)

    Fujikawa, Kazuo.

    1980-12-01

    The definition of the energy-momentum tensor as a source current coupled to the background gravitational field receives an important modification in quantum theory. In the path integral approach, the manifest covariance of the integral measure under general coordinate transformations dictates that field variables with weight 1/2 should be used as independent integration variables. An improved energy-momentum tensor is then generated by the variational derivative, and it gives rise to well-defined gravitational conformal (Weyl) anomalies. In the flat space-time limit, all the Ward-Takahashi identities associate with space-time transformations including the global dilatation become free from anomalies, reflecting the general covariance of the integral measure; the trace of this energy-momentum tensor is thus finite at the zero momentum transfer. The Jacobian for the local conformal transformation however becomes non-trivial, and it gives rise to an anomaly for the conformal identity. All the familiar anomalies are thus reduced to either chiral or conformal anomalies. The consistency of the dilatation and conformal identities at the vanishing momentum transfer determines the trace anomaly of this energy-momentum tensor in terms of the renormalization group β-function and other parameters. In contrast, the trace of the conventional energy-momentum tensor generally diverges even at the vanishing momentum transfer depending on the regularization scheme, and it is subtractively renormalized. We also explain how the apparently different renormalization properties of the chiral and trace anomalies arise. (author)

  3. From quantum chemical formation free energies to evaporation rates

    Directory of Open Access Journals (Sweden)

    I. K. Ortega

    2012-01-01

    Full Text Available Atmospheric new particle formation is an important source of atmospheric aerosols. Large efforts have been made during the past few years to identify which molecules are behind this phenomenon, but the actual birth mechanism of the particles is not yet well known. Quantum chemical calculations have proven to be a powerful tool to gain new insights into the very first steps of particle formation. In the present study we use formation free energies calculated by quantum chemical methods to estimate the evaporation rates of species from sulfuric acid clusters containing ammonia or dimethylamine. We have found that dimethylamine forms much more stable clusters with sulphuric acid than ammonia does. On the other hand, the existence of a very deep local minimum for clusters with two sulfuric acid molecules and two dimethylamine molecules hinders their growth to larger clusters. These results indicate that other compounds may be needed to make clusters grow to larger sizes (containing more than three sulfuric acid molecules.

  4. Local modular Hamiltonians from the quantum null energy condition

    Science.gov (United States)

    Koeller, Jason; Leichenauer, Stefan; Levine, Adam; Shahbazi-Moghaddam, Arvin

    2018-03-01

    The vacuum modular Hamiltonian K of the Rindler wedge in any relativistic quantum field theory is given by the boost generator. Here we investigate the modular Hamiltonian for more general half-spaces which are bounded by an arbitrary smooth cut of a null plane. We derive a formula for the second derivative of the modular Hamiltonian with respect to the coordinates of the cut which schematically reads K''=Tv v . This formula can be integrated twice to obtain a simple expression for the modular Hamiltonian. The result naturally generalizes the standard expression for the Rindler modular Hamiltonian to this larger class of regions. Our primary assumptions are the quantum null energy condition—an inequality between the second derivative of the von Neumann entropy of a region and the stress tensor—and its saturation in the vacuum for these regions. We discuss the validity of these assumptions in free theories and holographic theories to all orders in 1 /N .

  5. Gauge/gravity duality. Exploring universal features in quantum matter

    Energy Technology Data Exchange (ETDEWEB)

    Klug, Steffen

    2013-07-09

    In this dissertation strongly correlated quantum states of matter are explored with the help of the gauge/gravity duality, relating strongly coupled gauge theories to weakly curved gravitational theories. The main focus of the present work is on applications to condensed matter systems, in particular high temperature superconductors and quantum matter close to criticality at zero temperature. The gauge/gravity duality originates from string theory and is a particular realization of the holographic principle. Therefore, a brief overview of the conceptual ideas behind string theory and the ramifications of the holographic principle are given. Along the way, supersymmetry and supersymmetric field theories needed to understand the low energy effective field theories of superstring theory will be discussed. Armed with the string theory background, the double life of D-branes, extended object where open strings end, is explained as massive solitonic solutions to the type II supergravity equations of motion and their role in generating supersymmetric Yang-Mills theories. Connecting these two different pictures of D-branes will give an explicit construction of a gauge/gravity duality, the AdS{sub 5}/CFT{sub 4} correspondence between N=4 supersymmetric SU(N{sub c}) Yang-Mills theory in four dimensions with vanishing β-function to all orders, describing a true CFT, and type IIB supergravity in ten-dimensional AdS{sub 5} x S{sup 5} spacetime. Furthermore, the precise dictionary relating operators of the conformal field theory to fields in the gravitational theory is established. More precisely, the partitions functions of the strongly coupled N=4 supersymmetric Yang-Mills theory in the large N{sub c} limit is equal to the on-shell supergravity partition evaluated at the boundary of the AdS space. Applying the knowledge of perturbative quantum field theory and its relation to the quantum partition function the dictionary may be extended to finite temperature and finite

  6. Gauge/gravity duality. Exploring universal features in quantum matter

    International Nuclear Information System (INIS)

    Klug, Steffen

    2013-01-01

    In this dissertation strongly correlated quantum states of matter are explored with the help of the gauge/gravity duality, relating strongly coupled gauge theories to weakly curved gravitational theories. The main focus of the present work is on applications to condensed matter systems, in particular high temperature superconductors and quantum matter close to criticality at zero temperature. The gauge/gravity duality originates from string theory and is a particular realization of the holographic principle. Therefore, a brief overview of the conceptual ideas behind string theory and the ramifications of the holographic principle are given. Along the way, supersymmetry and supersymmetric field theories needed to understand the low energy effective field theories of superstring theory will be discussed. Armed with the string theory background, the double life of D-branes, extended object where open strings end, is explained as massive solitonic solutions to the type II supergravity equations of motion and their role in generating supersymmetric Yang-Mills theories. Connecting these two different pictures of D-branes will give an explicit construction of a gauge/gravity duality, the AdS 5 /CFT 4 correspondence between N=4 supersymmetric SU(N c ) Yang-Mills theory in four dimensions with vanishing β-function to all orders, describing a true CFT, and type IIB supergravity in ten-dimensional AdS 5 x S 5 spacetime. Furthermore, the precise dictionary relating operators of the conformal field theory to fields in the gravitational theory is established. More precisely, the partitions functions of the strongly coupled N=4 supersymmetric Yang-Mills theory in the large N c limit is equal to the on-shell supergravity partition evaluated at the boundary of the AdS space. Applying the knowledge of perturbative quantum field theory and its relation to the quantum partition function the dictionary may be extended to finite temperature and finite density states. Thus, all aspects

  7. Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log SW, log KOA, and log KOW with electron-correlation

    International Nuclear Information System (INIS)

    Chayawan; Vikas

    2015-01-01

    Highlights: • Aqueous solubility and partition coefficient are modelled using single-parameter. • Electron-correlation observed as a vital predictorof physico-chemical properties. • For octanol-air partition coefficient, energy and polarizability yield best models. • Dipole-moment is found to be worst single-descriptor for the properties analysed. - Abstract: Quantitative structure–property relationships (QSPRs), based only on a single-parameter, are proposed for the prediction of physico-chemical properties, namely, aqueous solubility (log S W ), octanol–water partition coefficient (log K OW ) and octanol–air partition coefficient (log K OA ) of polychloronaphthalenes (PCNs) including all the 75 chloronaphthalene congeners. The QSPR models are developed using molecular descriptors computed through quantum mechanical methods including ab-initio as well as advanced semi-empirical methods. The predictivity of the developed models is tested through state-of-the-art external validation procedures employing an external prediction set of compounds. To analyse the role of instantaneous interactions between electrons (the electron-correlation), the models are also compared with those developed using only the electron-correlation contribution of the quantum chemical descriptor. The electron-correlation contribution towards the chemical hardness and the LUMO energy are observed to be the best predictors for octanol–water partition coefficient, whereas for the octanol–air partition coefficient, the total electronic energy and electron-correlation energy are found to be reliable descriptors, in fact, even better than the polarisability. For aqueous solubility of PCNs, the absolute electronegativity is observed to be the best predictor. This work suggests that the electron-correlation contribution of a quantum-chemical descriptor can be used as a reliable indicator for physico-chemical properties, particularly the partition coefficients

  8. Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log S{sub W}, log K{sub OA}, and log K{sub OW} with electron-correlation

    Energy Technology Data Exchange (ETDEWEB)

    Chayawan; Vikas, E-mail: qlabspu@pu.ac.in

    2015-10-15

    Highlights: • Aqueous solubility and partition coefficient are modelled using single-parameter. • Electron-correlation observed as a vital predictorof physico-chemical properties. • For octanol-air partition coefficient, energy and polarizability yield best models. • Dipole-moment is found to be worst single-descriptor for the properties analysed. - Abstract: Quantitative structure–property relationships (QSPRs), based only on a single-parameter, are proposed for the prediction of physico-chemical properties, namely, aqueous solubility (log S{sub W}), octanol–water partition coefficient (log K{sub OW}) and octanol–air partition coefficient (log K{sub OA}) of polychloronaphthalenes (PCNs) including all the 75 chloronaphthalene congeners. The QSPR models are developed using molecular descriptors computed through quantum mechanical methods including ab-initio as well as advanced semi-empirical methods. The predictivity of the developed models is tested through state-of-the-art external validation procedures employing an external prediction set of compounds. To analyse the role of instantaneous interactions between electrons (the electron-correlation), the models are also compared with those developed using only the electron-correlation contribution of the quantum chemical descriptor. The electron-correlation contribution towards the chemical hardness and the LUMO energy are observed to be the best predictors for octanol–water partition coefficient, whereas for the octanol–air partition coefficient, the total electronic energy and electron-correlation energy are found to be reliable descriptors, in fact, even better than the polarisability. For aqueous solubility of PCNs, the absolute electronegativity is observed to be the best predictor. This work suggests that the electron-correlation contribution of a quantum-chemical descriptor can be used as a reliable indicator for physico-chemical properties, particularly the partition coefficients.

  9. Examining Student Ideas about Energy Measurements on Quantum States across Undergraduate and Graduate Levels

    Science.gov (United States)

    Passante, Gina; Emigh, Paul J.; Shaffer, Peter S.

    2015-01-01

    Energy measurements play a fundamental role in the theory of quantum mechanics, yet there is evidence that the underlying concepts are difficult for many students, even after all undergraduate instruction. We present results from an investigation into student ability to determine the possible energies that can be measured for a given wave function…

  10. Chaos in quantum channels

    Energy Technology Data Exchange (ETDEWEB)

    Hosur, Pavan; Qi, Xiao-Liang [Department of Physics, Stanford University,476 Lomita Mall, Stanford, California 94305 (United States); Roberts, Daniel A. [Center for Theoretical Physics and Department of Physics, Massachusetts Institute of Technology,77 Massachusetts Ave, Cambridge, Massachusetts 02139 (United States); Yoshida, Beni [Perimeter Institute for Theoretical Physics,31 Caroline Street North, Waterloo, Ontario N2L 2Y5 (Canada); Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena CA 91125 (United States)

    2016-02-01

    We study chaos and scrambling in unitary channels by considering their entanglement properties as states. Using out-of-time-order correlation functions to diagnose chaos, we characterize the ability of a channel to process quantum information. We show that the generic decay of such correlators implies that any input subsystem must have near vanishing mutual information with almost all partitions of the output. Additionally, we propose the negativity of the tripartite information of the channel as a general diagnostic of scrambling. This measures the delocalization of information and is closely related to the decay of out-of-time-order correlators. We back up our results with numerics in two non-integrable models and analytic results in a perfect tensor network model of chaotic time evolution. These results show that the butterfly effect in quantum systems implies the information-theoretic definition of scrambling.

  11. Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.

    Science.gov (United States)

    Brieuc, Fabien; Bronstein, Yael; Dammak, Hichem; Depondt, Philippe; Finocchi, Fabio; Hayoun, Marc

    2016-12-13

    The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods to introduce nuclear quantum effects in molecular dynamics simulations. The method has proved to be efficient, yielding accurate results for various systems. However, the QTB method is prone to zero-point energy leakage (ZPEL) in highly anharmonic systems. This is a well-known problem in methods based on classical trajectories where part of the energy of the high-frequency modes is transferred to the low-frequency modes leading to a wrong energy distribution. In some cases, the ZPEL can have dramatic consequences on the properties of the system. Thus, we investigate the ZPEL by testing the QTB method on selected systems with increasing complexity in order to study the conditions and the parameters that influence the leakage. We also analyze the consequences of the ZPEL on the structural and vibrational properties of the system. We find that the leakage is particularly dependent on the damping coefficient and that increasing its value can reduce and, in some cases, completely remove the ZPEL. When using sufficiently high values for the damping coefficient, the expected energy distribution among the vibrational modes is ensured. In this case, the QTB method gives very encouraging results. In particular, the structural properties are well-reproduced. The dynamical properties should be regarded with caution although valuable information can still be extracted from the vibrational spectrum, even for large values of the damping term.

  12. Relaxation of electron energy in the coupled polar semiconductor quantum dots

    Czech Academy of Sciences Publication Activity Database

    Král, Karel; Khás, Zdeněk; Zdeněk, Petr; Čerňanský, Marian; Lin, C. Y.

    2001-01-01

    Roč. 49, 10-11 (2001), s. 1011-1018 ISSN 0015-8208 R&D Projects: GA AV ČR IAA1010113; GA MŠk OC P5.20 Institutional research plan: CEZ:AV0Z1010914 Keywords : coupled polar semiconductor quantum dots * electron energy relaxation Subject RIV: BE - The oretical Physics Impact factor: 1.043, year: 2001

  13. Fluorescence resonance energy transfer measured by spatial photon migration in CdSe-ZnS quantum dots colloidal systems as a function of concentration

    Energy Technology Data Exchange (ETDEWEB)

    Azevedo, G.; Monte, A. F. G.; Reis, A. F.; Messias, D. N. [Laboratório de Espectroscopia Óptica, Instituto de Física, Universidade Federal de Uberlândia, Uberlândia, MG 38400-902 (Brazil)

    2014-11-17

    The study of the spatial photon migration as a function of the concentration brings into attention the problem of the energy transfer in quantum dot embedded systems. By measuring the photon propagation and its spatial dependence, it is possible to understand the whole dynamics in a quantum dot system, and also improve their concentration dependence to maximize energy propagation due to radiative and non-radiative processes. In this work, a confocal microscope was adapted to scan the spatial distribution of photoluminescence from CdSe-ZnS core-shell quantum dots in colloidal solutions. The energy migration between the quantum dots was monitored by the direct measurement of the photon diffusion length, according to the diffusion theory. We observed that the photon migration length decreases by increasing the quantum dot concentration, this kind of behavior has been regarded as a signature of Förster resonance energy transfer in the system.

  14. Excess energy partitioning between electrons departing at 0o and 180o in the ionization of helium near threshold

    International Nuclear Information System (INIS)

    Asmis, K.R.; Allan, M.

    1997-01-01

    Partitioning of excess energy between electrons departing at 0 o and 180 o after electron-impact ionization of helium has been measured. A recently developed scheme, using a magnetically collimated electron-impact spectrometer, pulsed incident electron beam and time-of-flight detection was used to detect the electrons departing in the forward and backward directions. The ratios of the forward and backward doubly differential cross-sections (DDCS) for an incident electron energy 3 eV above threshold and secondary electron energies of 0.7, 1.5 and 2.9 eV were measured. The relative DDCS at 0 o and 180 o are also presented as a function of the secondary electron energy, for incident electron energies 3 and 5 eV above threshold. Our measurements show that the distribution of the secondary electrons is, in contrast to electrons detected at 90 o , not flat for electrons departing at 0 o and 180 o at the present low primary energies. The yield of the faster secondary electrons is forward peaked, the yield of the slower secondary electrons is backward peaked. The sum of the 0 o and 180 o DDCS is, however, flat within the experimental uncertainty limits. (Author)

  15. Quantum fate of singularities in a dark-energy dominated universe

    International Nuclear Information System (INIS)

    Bouhmadi-Lopez, Mariam; Kiefer, Claus; Sandhoefer, Barbara; Moniz, Paulo Vargas

    2009-01-01

    Classical models for dark energy can exhibit a variety of singularities, many of which occur for scale factors much bigger than the Planck length. We address here the issue of whether some of these singularities, the big freeze and the big demarrage, can be avoided in quantum cosmology. We use the framework of quantum geometrodynamics. We restrict our attention to a class of models whose matter content can be described by a generalized Chaplygin gas and be represented by a scalar field with an appropriate potential. Employing the DeWitt criterion that the wave function be zero at the classical singularity, we show that a class of solutions to the Wheeler-DeWitt equation fulfilling this condition can be found. These solutions thus avoid the classical singularity. We discuss the reasons for the remaining ambiguity in fixing the solution.

  16. Semiclassical approach to finite-temperature quantum annealing with trapped ions

    Science.gov (United States)

    Raventós, David; Graß, Tobias; Juliá-Díaz, Bruno; Lewenstein, Maciej

    2018-05-01

    Recently it has been demonstrated that an ensemble of trapped ions may serve as a quantum annealer for the number-partitioning problem [Nat. Commun. 7, 11524 (2016), 10.1038/ncomms11524]. This hard computational problem may be addressed by employing a tunable spin-glass architecture. Following the proposal of the trapped-ion annealer, we study here its robustness against thermal effects; that is, we investigate the role played by thermal phonons. For the efficient description of the system, we use a semiclassical approach, and benchmark it against the exact quantum evolution. The aim is to understand better and characterize how the quantum device approaches a solution of an otherwise difficult to solve NP-hard problem.

  17. GaInN quantum well design and measurement conditions affecting the emission energy S-shape

    Energy Technology Data Exchange (ETDEWEB)

    Netzel, Carsten; Hatami, Soheil; Hoffmann, Veit; Knauer, Arne; Weyers, Markus [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Wernicke, Tim; Kneissl, Michael [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Institut fuer Festkoerperphysik, Technische Universitaet Berlin, Hardenbergstrasse 36, 10623 Berlin (Germany)

    2011-07-15

    Polarization fields and charge carrier localization are the dominant factors defining the radiative recombination processes in the quantum wells of most AlGaInN-based optoelectronic devices. Both factors determine emission energy, emission line width, recombination times, and internal quantum efficiency. For a deeper understanding of the charge carrier recombination processes, we have performed temperature and excitation power dependent photoluminescence experiments on epitaxially grown GaInN structures to study the S-shape of the temperature dependent emission energy. The S-shape behaviour in GaInN quantum wells (QWs) is dominated by the temperature dependence of the charge carrier localization. However, in polar QWs it is strongly affected by the charge carrier density which screens the piezoelectric field. External applied fields change the observable S-shape characteristic significantly. Semi- and nonpolar GaInN QWs feature an S-shape behaviour which points to much stronger charge carrier localization compared to polar QWs. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Quantum statistical mechanics of dense partially ionized hydrogen.

    Science.gov (United States)

    Dewitt, H. E.; Rogers, F. J.

    1972-01-01

    The theory of dense hydrogenic plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. In this theory, the effective interaction between any two charges is the dynamic screened potential obtained from the plasma dielectric function. We make the static approximation; and we carry out detailed numerical calculations with the bound and scattering states of the Debye potential, using the Beth-Uhlenbeck form of the quantum second virial coefficient. We compare our results with calculations from the Saha equation.

  19. Natural Regulation of Energy Flow in a Green Quantum Photocell.

    Science.gov (United States)

    Arp, Trevor B; Barlas, Yafis; Aji, Vivek; Gabor, Nathaniel M

    2016-12-14

    Manipulating the flow of energy in nanoscale and molecular photonic devices is of both fundamental interest and central importance for applications in light energy harvesting optoelectronics. Under erratic solar irradiance conditions, unregulated power fluctuations in a light-harvesting photocell lead to inefficient energy storage in conventional solar cells and potentially fatal oxidative damage in photosynthesis. Here, we compare the theoretical minimum energy fluctuations in nanoscale quantum heat engine photocells that incorporate one or two photon-absorbing channels and show that fluctuations are naturally suppressed in the two-channel photocell. This intrinsic suppression acts as a passive regulation mechanism that enables the efficient conversion of varying incident solar power into a steady output for absorption over a broad range of the solar spectrum on Earth. Remarkably, absorption in the green portion of the spectrum provides no inherent regulatory benefit, indicating that green light should be rejected in a photocell whose primary role is the regulation of energy flow.

  20. Space-partition method for the variance-based sensitivity analysis: Optimal partition scheme and comparative study

    International Nuclear Information System (INIS)

    Zhai, Qingqing; Yang, Jun; Zhao, Yu

    2014-01-01

    Variance-based sensitivity analysis has been widely studied and asserted itself among practitioners. Monte Carlo simulation methods are well developed in the calculation of variance-based sensitivity indices but they do not make full use of each model run. Recently, several works mentioned a scatter-plot partitioning method to estimate the variance-based sensitivity indices from given data, where a single bunch of samples is sufficient to estimate all the sensitivity indices. This paper focuses on the space-partition method in the estimation of variance-based sensitivity indices, and its convergence and other performances are investigated. Since the method heavily depends on the partition scheme, the influence of the partition scheme is discussed and the optimal partition scheme is proposed based on the minimized estimator's variance. A decomposition and integration procedure is proposed to improve the estimation quality for higher order sensitivity indices. The proposed space-partition method is compared with the more traditional method and test cases show that it outperforms the traditional one

  1. Entanglement in Quantum Field Theory: particle mixing and oscillations

    International Nuclear Information System (INIS)

    Blasone, M; Dell'Anno, F; De Siena, S; Illuminati, F

    2013-01-01

    The phenomena of particle mixing and flavor oscillations in elementary particle physics are associated with multi-mode entanglement of single-particle states. We show that, in the framework of quantum field theory, these phenomena exhibit a fine structure of quantum correlations, as multi-mode multi-particle entanglement appears. Indeed, the presence of anti-particles adds further degrees of freedom, thus providing nontrivial contributions both to flavor entanglement and, more generally, to multi-partite entanglement. By using the global entanglement measure, based on the linear entropies associated with all the possible bipartitions, we analyze the entanglement in the multiparticle states of two-flavor neutrinos and anti-neutrinos. A direct comparison with the instance of the quantum mechanical Pontecorvo single-particle states is also performed.

  2. Energy eigenvalues and squeezing properties of general systems of coupled quantum anharmonic oscillators

    International Nuclear Information System (INIS)

    Chung, N. N.; Chew, L. Y.

    2007-01-01

    We have generalized the two-step approach to the solution of systems of N coupled quantum anharmonic oscillators. By using the squeezed vacuum state of each individual oscillator, we construct the tensor product state, and obtain the optimal squeezed vacuum product state through energy minimization. We then employ this optimal state and its associated bosonic operators to define a basis set to construct the Heisenberg matrix. The diagonalization of the matrix enables us to obtain the energy eigenvalues of the coupled oscillators. In particular, we have applied our formalism to determine the eigenenergies of systems of two coupled quantum anharmonic oscillators perturbed by a general polynomial potential, as well as three and four coupled systems. Furthermore, by performing a first-order perturbation analysis about the optimal squeezed vacuum product state, we have also examined into the squeezing properties of two coupled oscillator systems

  3. Observability of localized magnetoplasmons in quantum dots: Scrutinizing the eligibility of far-infrared, Raman, and electron-energy-loss spectroscopies

    Directory of Open Access Journals (Sweden)

    Manvir S. Kushwaha

    2016-03-01

    Full Text Available We investigate a one-component, quasi-zero dimensional, quantum plasma exposed to a parabolic potential and an applied magnetic field in the symmetric gauge. If the size of such a system as can be realized in the semiconducting quantum dots is on the order of the de-Broglie wavelength, the electronic and optical properties become highly tunable. Then the quantum size effects challenge the observation of many-particle phenomena such as the magneto-optical absorption, Raman intensity, and electron energy-loss spectrum. An exact analytical solution of the problem leads us to infer that these many-particle phenomena are, in fact, dictated by the generalized Kohn’s theorem (GKT in the long-wavelength limit. Maneuvering the confinement and/or the magnetic field furnishes the resonance energies capable of being explored with the FIR, Raman, and/or electron-energy-loss spectroscopy. This implies that either of these probes is competent in observing the localized magnetoplasmons in the system. As an application of the rigorous analytical diagnosis of the system, we have presented various pertinent single-particle, such as Fock-Darwin spectrum, Fermi energy, zigzag excitation spectrum, and magneto-optical transitions, and the many-particle phenomena, such as magneto-optical absorption, Raman intensity, and electron energy-loss probability. In the latter, the energy position of the resonance peaks is observed to be independent of the electron-electron interactions and hence of the number of electrons in the quantum dot in compliance with the GKT. It is found that both confinement potential and magnetic field play a decisive role in influencing the aforementioned many-particle phenomena. Specifically, increasing (decreasing the strength of the confining potential is found to be analogous to shrinking (expanding the size of the quantum dots and results into a blue (red shift in the respective spectra. Intensifying the magnetic field has two-fold effects in

  4. Tradeoff between energy and error in the discrimination of quantum-optical devices

    Energy Technology Data Exchange (ETDEWEB)

    Bisio, Alessandro; Dall' Arno, Michele; D' Ariano, Giacomo Mauro [Quit group, Dipartimento di Fisica ' ' A. Volta' ' , via Bassi 6, I-27100 Pavia (Italy) and Istituto Nazionale di Fisica Nucleare, Gruppo IV, via Bassi 6, I-27100 Pavia (Italy)

    2011-07-15

    We address the problem of energy-error tradeoff in the discrimination between two linear passive quantum optical devices with a single use. We provide an analytical derivation of the optimal strategy for beamsplitters and an iterative algorithm converging to the optimum in the general case. We then compare the optimal strategy with a simpler strategy using coherent input states and homodyne detection. It turns out that the former requires much less energy in order to achieve the same performances.

  5. Tradeoff between energy and error in the discrimination of quantum-optical devices

    International Nuclear Information System (INIS)

    Bisio, Alessandro; Dall'Arno, Michele; D'Ariano, Giacomo Mauro

    2011-01-01

    We address the problem of energy-error tradeoff in the discrimination between two linear passive quantum optical devices with a single use. We provide an analytical derivation of the optimal strategy for beamsplitters and an iterative algorithm converging to the optimum in the general case. We then compare the optimal strategy with a simpler strategy using coherent input states and homodyne detection. It turns out that the former requires much less energy in order to achieve the same performances.

  6. Pade approximants for the ground-state energy of closed-shell quantum dots

    International Nuclear Information System (INIS)

    Gonzalez, A.; Partoens, B.; Peeters, F.M.

    1997-08-01

    Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and large-density limits of the energy. We estimated that the maximum error, reached for intermediate densities, is less than ≤ 3%. Within that present approximation the ground-state is found to be unpolarized. (author). 21 refs, 3 figs, 2 tabs

  7. Increase of temperature of an ideal nondegenerate quantum gas in a suddenly expanding box due to energy quantization

    International Nuclear Information System (INIS)

    Dodonov, V.V.; Vieira Lopes, D.O.

    2008-01-01

    We show that due to energy quantization the temperature of an ideal nondegenerate quantum gas in a rectangular box always increases after a sudden expansion of the box and a subsequent thermalization. The maximal increment of temperature is proportional to the square root of the product of the initial absolute temperature by the energy of the first discrete quantum level, i.e., it is proportional to the first power of the Planck constant

  8. The quantum harmonic oscillator on a circle and a deformed quantum field theory

    International Nuclear Information System (INIS)

    Rego-Monteiro, M.A.

    2001-05-01

    We construct a deformed free quantum field theory with an standard Hilbert space based on a deformed Heisenberg algebra. This deformed algebra is a Heisenberg-type algebra describing the first levels of the quantum harmonic oscillator on a circle of large length L. The successive energy levels of this quantum harmonic oscillator on a circle of large length L are interpreted, similarly to the standard quantum one-dimensional harmonic oscillator on an infinite line, as being obtained by the creation of a quantum particle of frequency w at very high energies. (author)

  9. Dipole-Dipole Electron Excitation Energy Transfer in the System CdSe/ZnS Quantum Dot - Eosin in Butyral Resin Matrix

    Science.gov (United States)

    Myslitskaya, N. A.; Samusev, I. G.; Bryukhanov, V. V.

    2014-11-01

    The electron excitation energy transfer from CdSe/ZnS quantum dots to eosin molecules in the polymer matrix of butyral resin is investigated. The main characteristics of energy transfer are determined. By means of luminescence microscopy and correlation spectroscopy methods we found that quantum dots in the polymer are in an aggregate state.

  10. The prediction of blood-tissue partitions, water-skin partitions and skin permeation for agrochemicals.

    Science.gov (United States)

    Abraham, Michael H; Gola, Joelle M R; Ibrahim, Adam; Acree, William E; Liu, Xiangli

    2014-07-01

    There is considerable interest in the blood-tissue distribution of agrochemicals, and a number of researchers have developed experimental methods for in vitro distribution. These methods involve the determination of saline-blood and saline-tissue partitions; not only are they indirect, but they do not yield the required in vivo distribution. The authors set out equations for gas-tissue and blood-tissue distribution, for partition from water into skin and for permeation from water through human skin. Together with Abraham descriptors for the agrochemicals, these equations can be used to predict values for all of these processes. The present predictions compare favourably with experimental in vivo blood-tissue distribution where available. The predictions require no more than simple arithmetic. The present method represents a much easier and much more economic way of estimating blood-tissue partitions than the method that uses saline-blood and saline-tissue partitions. It has the added advantages of yielding the required in vivo partitions and being easily extended to the prediction of partition of agrochemicals from water into skin and permeation from water through skin. © 2013 Society of Chemical Industry.

  11. Estimating the Partition Function Zeros by Using the Wang-Landau Monte Carlo Algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seung-Yeon [Korea National University of Transportation, Chungju (Korea, Republic of)

    2017-03-15

    The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω(E) as a function of the energy E. Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω(E). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice (L = 10 ∼ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H(E).

  12. Quantum canonical ensemble: A projection operator approach

    Science.gov (United States)

    Magnus, Wim; Lemmens, Lucien; Brosens, Fons

    2017-09-01

    Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function ZN and the Helmholtz free energy FN as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 -FN, as illustrated for a two-dimensional fermion gas.

  13. Magnetic field effect on the energy levels of an exciton in a GaAs quantum dot: Application for excitonic lasers.

    Science.gov (United States)

    Jahan, K Luhluh; Boda, A; Shankar, I V; Raju, Ch Narasimha; Chatterjee, Ashok

    2018-03-22

    The problem of an exciton trapped in a Gaussian quantum dot (QD) of GaAs is studied in both two and three dimensions in the presence of an external magnetic field using the Ritz variational method, the 1/N expansion method and the shifted 1/N expansion method. The ground state energy and the binding energy of the exciton are obtained as a function of the quantum dot size, confinement strength and the magnetic field and compared with those available in the literature. While the variational method gives the upper bound to the ground state energy, the 1/N expansion method gives the lower bound. The results obtained from the shifted 1/N expansion method are shown to match very well with those obtained from the exact diagonalization technique. The variation of the exciton size and the oscillator strength of the exciton are also studied as a function of the size of the quantum dot. The excited states of the exciton are computed using the shifted 1/N expansion method and it is suggested that a given number of stable excitonic bound states can be realized in a quantum dot by tuning the quantum dot parameters. This can open up the possibility of having quantum dot lasers using excitonic states.

  14. Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA.

    Science.gov (United States)

    Das, Susanta; Nam, Kwangho; Major, Dan Thomas

    2018-03-13

    In recent years, a number of quantum mechanical-molecular mechanical (QM/MM) enzyme studies have investigated the dependence of reaction energetics on the size of the QM region using energy and free energy calculations. In this study, we revisit the question of QM region size dependence in QM/MM simulations within the context of energy and free energy calculations using a proton transfer in a DNA base pair as a test case. In the simulations, the QM region was treated with a dispersion-corrected AM1/d-PhoT Hamiltonian, which was developed to accurately describe phosphoryl and proton transfer reactions, in conjunction with an electrostatic embedding scheme using the particle-mesh Ewald summation method. With this rigorous QM/MM potential, we performed rather extensive QM/MM sampling, and found that the free energy reaction profiles converge rapidly with respect to the QM region size within ca. ±1 kcal/mol. This finding suggests that the strategy of QM/MM simulations with reasonably sized and selected QM regions, which has been employed for over four decades, is a valid approach for modeling complex biomolecular systems. We point to possible causes for the sensitivity of the energy and free energy calculations to the size of the QM region, and potential implications.

  15. Geometric Approach to Quantum Statistical Mechanics and Application to Casimir Energy and Friction Properties

    International Nuclear Information System (INIS)

    Ichinose, Shoichi

    2010-01-01

    A geometric approach to general quantum statistical systems (including the harmonic oscillator) is presented. It is applied to Casimir energy and the dissipative system with friction. We regard the (N+1)-dimensional Euclidean coordinate system (X i ,τ) as the quantum statistical system of N quantum (statistical) variables (X τ ) and one Euclidean time variable (t). Introducing paths (lines or hypersurfaces) in this space (X τ ,t), we adopt the path-integral method to quantize the mechanical system. This is a new view of (statistical) quantization of the mechanical system. The system Hamiltonian appears as the area. We show quantization is realized by the minimal area principle in the present geometric approach. When we take a line as the path, the path-integral expressions of the free energy are shown to be the ordinary ones (such as N harmonic oscillators) or their simple variation. When we take a hyper-surface as the path, the system Hamiltonian is given by the area of the hyper-surface which is defined as a closed-string configuration in the bulk space. In this case, the system becomes a O(N) non-linear model. We show the recently-proposed 5 dimensional Casimir energy (ArXiv:0801.3064,0812.1263) is valid. We apply this approach to the visco-elastic system, and present a new method using the path-integral for the calculation of the dissipative properties.

  16. Exciton binding energy in GaAsBiN spherical quantum dot heterostructures

    Science.gov (United States)

    Das, Subhasis; Dhar, S.

    2017-03-01

    The ground state exciton binding energies (EBE) of heavy hole excitons in GaAs1-x-yBixNy - GaAs spherical quantum dots (QD) are calculated using a variational approach under 1s hydrogenic wavefunctions within the framework of effective mass approximation. Both the nitrogen and the bismuth content in the material are found to affect the binding energy, in particular for larger nitrogen content and lower dot radii. Calculations also show that the ground state exciton binding energies of heavy holes increase more at smaller dot sizes as compared to that for the light hole excitons.

  17. Partitioning in P-T concept

    International Nuclear Information System (INIS)

    Zhang Peilu; Qi Zhanshun; Zhu Zhixuan

    2000-01-01

    Comparison of dry- and water-method for partitioning fission products and minor actinides from the spent fuels, and description of advance of dry-method were done. Partitioning process, some typical concept and some results of dry-method were described. The problems fond in dry-method up to now were pointed out. The partitioning study program was suggested

  18. Energy spectrums of bilayer triangular phosphorene quantum dots and antidots

    Directory of Open Access Journals (Sweden)

    Z. T. Jiang

    2017-04-01

    Full Text Available We theoretically investigate the confined states of the bilayer triangular phosphorene dots and antidots by means of the tight-binding approach. The dependence of the energy levels on the size, the type of the boundary edges, and the orientation of the dots and antidots, and the influences of the electric and magnetic fields on the energy levels, are all completely analyzed. It is found that the energy level numbers of the bilayer dots and antidots are determined by the energy levels in two layers. The external electric field can effectively tune the energy levels of the edge states in both layers to move in opposite directions. With the increase of the magnetic field, the magnetic energy levels can approach the Landau levels of the phosphorene monolayer, the phosphorene bilayer, or both, depending on the specific geometry of the monolayer-bilayer hybrid phosphorene quantum dots. This research should be helpful for the overall understanding of the electronic properties of the multilayer hybrid phosphorene nanostructures and designing the corresponding phosphorene devices.

  19. The localized quantum vacuum field

    International Nuclear Information System (INIS)

    Dragoman, D

    2008-01-01

    A model for the localized quantum vacuum is proposed in which the zero-point energy (ZPE) of the quantum electromagnetic field originates in energy- and momentum-conserving transitions of material systems from their ground state to an unstable state with negative energy. These transitions are accompanied by emissions and re-absorptions of real photons, which generate a localized quantum vacuum in the neighborhood of material systems. The model could help resolve the cosmological paradox associated with the ZPE of electromagnetic fields, while reclaiming quantum effects associated with quantum vacuum such as the Casimir effect and the Lamb shift. It also offers a new insight into the Zitterbewegung of material particles

  20. The localized quantum vacuum field

    Energy Technology Data Exchange (ETDEWEB)

    Dragoman, D [Physics Department, University of Bucharest, PO Box MG-11, 077125 Bucharest (Romania)], E-mail: danieladragoman@yahoo.com

    2008-03-15

    A model for the localized quantum vacuum is proposed in which the zero-point energy (ZPE) of the quantum electromagnetic field originates in energy- and momentum-conserving transitions of material systems from their ground state to an unstable state with negative energy. These transitions are accompanied by emissions and re-absorptions of real photons, which generate a localized quantum vacuum in the neighborhood of material systems. The model could help resolve the cosmological paradox associated with the ZPE of electromagnetic fields, while reclaiming quantum effects associated with quantum vacuum such as the Casimir effect and the Lamb shift. It also offers a new insight into the Zitterbewegung of material particles.

  1. Feed intake, digestibility and energy partitioning in beef cattle fed diets with cassava pulp instead of rice straw.

    Science.gov (United States)

    Kongphitee, Kanokwan; Sommart, Kritapon; Phonbumrung, Thamrongsak; Gunha, Thidarat; Suzuki, Tomoyuki

    2018-03-13

    This study was conducted to assess the effects of replacing rice straw with different proportions of cassava pulp on growth performance, feed intake, digestibility, rumen microbial population, energy partitioning and efficiency of metabolizable energy utilization in beef cattle. Eighteen yearling Thai native beef cattle (Bos indicus) with an average initial body weight of 98.3 ± 12.8 kg were allocated to one of three dietary treatments and fed ad libitum for 149 days in a randomized complete block design. Three dietary treatments using different proportions of cassava pulp (100, 300 and 500 g/kg dry matter basis) instead of rice straw as a base in a fermented total mixed ration were applied. Animals were placed in a metabolic pen equipped with a ventilated head box respiration system to determine total digestibility and energy balance. The average daily weight gain, digestible intake and apparent digestibility of dry matter, organic matter and non-fiber carbohydrate, total protozoa, energy intake, energy retention and energy efficiency increased linearly (p energy excretion in the urine (p energy requirement for the maintenance of yearling Thai native cattle, determined by a linear regression analysis, was 399 kJ/kg BW0.75, with an efficiency of metabolizable energy utilization for growth of 0.86. Our results demonstrated that increasing the proportion of cassava pulp up to 500 g/kg of dry matter as a base in a fermented total mixed ration is an effective strategy for improving productivity in zebu cattle.

  2. Collisions of polyatomic ions with surfaces: incident energy partitioning and chemical reactions

    International Nuclear Information System (INIS)

    Zabka, J.; Roithova, J.; Dolejsek, Z.; Herman, Z.

    2002-01-01

    Collision of polyatomic ions with surfaces were investigated in ion-surface scattering experiments to obtain more information on energy partitioning in ion-surface collision and on chemical reactions at surfaces. Mass spectra, translation energy and angular distributions of product ions were measured in dependence on the incident energy and the incident angle of polyatomic projectiles. From these data distributions of energy fractions resulting in internal excitation of the projectile, translation energy of the product ions, and energy absorbed by the surface were determined. The surface investigated were a standard stainless steel surface, covered by hydrocarbons, carbon surfaces at room and elevated temperatures, and several surfaces covered by a self-assembled monolayers (C 12 -hydrocarbon SAM, C 11 -perfluorohydrocarbon SAM, and C 11 hydrocarbon with terminal -COOH group SAM). The main processes observed at collision energies of 10 - 50 eV were: neutralization of the ions at surfaces, inelastic scattering and dissociations of the projectile ions, quasi elastic scattering of the projectile ions, and chemical reactions with the surface material (usually hydrogen-atom transfer reactions). The ion survival factor was estimated to be a few percent for even-electron ions (like protonated ethanol ion, C 2 H 5 O + , CD 5 + ) and about 10 - 10 2 times lower for radical ions (like ethanol and benzene molecular ions, CD 4 + ). In the polyatomic ion -surface energy transfer experiments, the ethanol molecular ion was used as a well-characterized projectile ion. The results with most of the surfaces studied showed in the collision energy range of 13 - 32 eV that most collisions were strongly inelastic with about 6 - 8 % of the incident projectile energy transformed into internal excitation of the projectile (independent of the incident angle) and led partially to its further dissociation in a unimolecular way after the interaction with the surface. The incident energy

  3. Quantum Regge Calculus of Einstein-Cartan theory

    International Nuclear Information System (INIS)

    Xue Shesheng

    2009-01-01

    We study the Quantum Regge Calculus of Einstein-Cartan theory to describe quantum dynamics of Euclidean space-time discretized as a 4-simplices complex. Tetrad field e μ (x) and spin-connection field ω μ (x) are assigned to each 1-simplex. Applying the torsion-free Cartan structure equation to each 2-simplex, we discuss parallel transports and construct a diffeomorphism and local gauge-invariant Einstein-Cartan action. Invariant holonomies of tetrad and spin-connection fields along large loops are also given. Quantization is defined by a bounded partition function with the measure of SO(4)-group valued ω μ (x) fields and Dirac-matrix valued e μ (x) fields over 4-simplices complex.

  4. The quantum null energy condition in curved space

    Science.gov (United States)

    Fu, Zicao; Koeller, Jason; Marolf, Donald

    2017-11-01

    The quantum null energy condition (QNEC) is a conjectured bound on components (Tkk = Tab ka k^b) of the stress tensor along a null vector k a at a point p in terms of a second k-derivative of the von Neumann entropy S on one side of a null congruence N through p generated by k a . The conjecture has been established for super-renormalizeable field theories at points p that lie on a bifurcate Killing horizon with null tangent k a and for large-N holographic theories on flat space. While the Koeller-Leichenauer holographic argument clearly yields an inequality for general ( p, k^a) , more conditions are generally required for this inequality to be a useful QNEC. For d≤slant 3 , for arbitrary backgroud metric we show that the QNEC is naturally finite and independent of renormalization scheme when the expansion θ of N at the point p vanishes. This is consistent with the original QNEC conjecture which required θ and the shear σab to satisfy θ \\vert _p= \\dotθ\\vert p =0 , σab\\vert _p=0 . But for d=4, 5 more conditions than even these are required. In particular, we also require the vanishing of additional derivatives and a dominant energy condition. In the above cases the holographic argument does indeed yield a finite QNEC, though for d≥slant6 we argue these properties to fail even for weakly isolated horizons (where all derivatives of θ, σab vanish) that also satisfy a dominant energy condition. On the positive side, a corrollary to our work is that, when coupled to Einstein-Hilbert gravity, d ≤slant 3 holographic theories at large N satisfy the generalized second law (GSL) of thermodynamics at leading order in Newton’s constant G. This is the first GSL proof which does not require the quantum fields to be perturbations to a Killing horizon.

  5. Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

    Science.gov (United States)

    Richings, Gareth W; Habershon, Scott

    2017-09-12

    We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

  6. Energy-Tunable Sources of Entangled Photons: A Viable Concept for Solid-State-Based Quantum Relays

    Science.gov (United States)

    Trotta, Rinaldo; Martín-Sánchez, Javier; Daruka, Istvan; Ortix, Carmine; Rastelli, Armando

    2015-04-01

    We propose a new method of generating triggered entangled photon pairs with wavelength on demand. The method uses a microstructured semiconductor-piezoelectric device capable of dynamically reshaping the electronic properties of self-assembled quantum dots (QDs) via anisotropic strain engineering. Theoretical models based on k .p theory in combination with finite-element calculations show that the energy of the polarization-entangled photons emitted by QDs can be tuned in a range larger than 100 meV without affecting the degree of entanglement of the quantum source. These results pave the way towards the deterministic implementation of QD entanglement resources in all-electrically-controlled solid-state-based quantum relays.

  7. Energy transfer of excitons between quantum wells separated by a wide barrier

    International Nuclear Information System (INIS)

    Lyo, S. K.

    2000-01-01

    We present a microscopic theory of the excitonic Stokes and anti-Stokes energy-transfer mechanisms between two widely separated unequal quantum wells with a large energy mismatch (Δ) at low temperatures (T). Several important intrinsic energy-transfer mechanisms have been examined, including dipolar coupling, real and virtual photon-exchange coupling, and over-barrier ionization of the excitons via exciton-exciton Auger processes. The transfer rate is calculated as a function of T and the center-to-center distance d between the wells. The rates depend sensitively on T for plane-wave excitons. For localized excitons, the rates depend on T only through the T dependence of the exciton localization radius. For Stokes energy transfer, the dominant energy transfer occurs through a photon-exchange interaction, which enables the excitons from the higher-energy wells to decay into free electrons and holes in the lower-energy wells. The rate has a slow dependence on d, yielding reasonable agreement with recent data from GaAs/Al x Ga 1-x As quantum wells. The dipolar rate is about an order of magnitude smaller for large d (e.g., d=175Aa) with a stronger range dependence proportional to d -4 . However, the latter can be comparable to the radiative rate for small d (e.g., d≤80Aa). For anti-Stokes transfer through exchange-type (e.g., dipolar and photon-exchange) interactions, we show that thermal activation proportional to exp(-Δ/k B T) is essential for the transfer, contradicting a recent nonactivated result based on the Fo''rster-Dexter's spectral-overlap theory. Phonon-assisted transfer yields a negligibly small rate. On the other hand, energy transfer through over-barrier ionization of excitons via Auger processes yields a significantly larger nonactivated rate which is independent of d. The result is compared with recent data

  8. Partitioning of fissile and radio-toxic materials from spent nuclear fuel

    International Nuclear Information System (INIS)

    Bychkov, A.V.; Skiba, O.V.; Kormilitsyn, M.V.

    2007-01-01

    these elements as fuel components, they could be involved in the recycling together with the main actinides, and they could be jointly extracted in the partitioning processes. It is also possible to design some special reactor systems for energy generation. For instance, Np, Am and Cm could be considered as fuel components for fast reactors. It would be possible to apply similar approaches even to the burning of uranium isotopes ( 232,234,236 U), which should be produced in a concentrated form during the re-enrichment. So the future development of innovative technologies should be directed from a complete reprocessing towards partitioning of fissile and radio-toxic materials from the spent nuclear fuel. The objectives of technology optimisation can be stated as follows: (1) reprocessing/partitioning with the view of non-proliferation, (2) partitioning with a minimal effect on the environment (3) partitioning using advanced economical methods. The criteria for the partitioning in future (after the year 2050) can be taken from the INPRO methodology. (authors)

  9. Organic Carbon/Water and Dissolved Organic Carbon/Water Partitioning of Cyclic Volatile Methylsiloxanes: Measurements and Polyparameter Linear Free Energy Relationships.

    Science.gov (United States)

    Panagopoulos, Dimitri; Jahnke, Annika; Kierkegaard, Amelie; MacLeod, Matthew

    2015-10-20

    The sorption of cyclic volatile methyl siloxanes (cVMS) to organic matter has a strong influence on their fate in the aquatic environment. We report new measurements of the partition ratios between freshwater sediment organic carbon and water (KOC) and between Aldrich humic acid dissolved organic carbon and water (KDOC) for three cVMS, and for three polychlorinated biphenyls (PCBs) that were used as reference chemicals. Our measurements were made using a purge-and-trap method that employs benchmark chemicals to calibrate mass transfer at the air/water interface in a fugacity-based multimedia model. The measured log KOC of octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (D5), and dodecamethylcyclohexasiloxane (D6) were 5.06, 6.12, and 7.07, and log KDOC were 5.05, 6.13, and 6.79. To our knowledge, our measurements for KOC of D6 and KDOC of D4 and D6 are the first reported. Polyparameter linear free energy relationships (PP-LFERs) derived from training sets of empirical data that did not include cVMS generally did not predict our measured partition ratios of cVMS accurately (root-mean-squared-error (RMSE) for logKOC 0.76 and for logKDOC 0.73). We constructed new PP-LFERs that accurately describe partition ratios for the cVMS as well as for other chemicals by including our new measurements in the existing training sets (logKOC RMSEcVMS: 0.09, logKDOC RMSEcVMS: 0.12). The PP-LFERs we have developed here should be further evaluated and perhaps recalibrated when experimental data for other siloxanes become available.

  10. Constructing quantum dynamics from mixed quantum-classical descriptions

    International Nuclear Information System (INIS)

    Barsegov, V.; Rossky, P.J.

    2004-01-01

    The influence of quantum bath effects on the dynamics of a quantum two-level system linearly coupled to a harmonic bath is studied when the coupling is both diagonal and off-diagonal. It is shown that the pure dephasing kernel and the non-adiabatic quantum transition rate between Born-Oppenheimer states of the subsystem can be decomposed into a contribution from thermally excited bath modes plus a zero point energy contribution. This quantum rate can be modewise factorized exactly into a product of a mixed quantum subsystem-classical bath transition rate and a quantum correction factor. This factor determines dynamics of quantum bath correlations. Quantum bath corrections to both the transition rate and the pure dephasing kernel are shown to be readily evaluated via a mixed quantum-classical simulation. Hence, quantum dynamics can be recovered from a mixed quantum-classical counterpart by incorporating the missing quantum bath corrections. Within a mixed quantum-classical framework, a simple approach for evaluating quantum bath corrections in calculation of the non-adiabatic transition rate is presented

  11. Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

    Science.gov (United States)

    Litman, Yair; Donadio, Davide; Ceriotti, Michele; Rossi, Mariana

    2018-03-01

    Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of these systems. In this work, we explore the impact of NQEs on the dissociation of water wires on stepped Pt(221) surfaces. By performing ab initio molecular dynamics simulations with van der Waals corrected density functional theory, we note that several competing minima for both intact and dissociated structures are accessible at finite temperatures, making it important to assess whether harmonic estimates of the quantum free energy are sufficient to determine the relative stability of the different states. We thus perform ab initio path integral molecular dynamics (PIMD) in order to calculate these contributions taking into account the conformational entropy and anharmonicities at finite temperatures. We propose that when adsorption is weak and NQEs on the substrate are negligible, PIMD simulations can be performed through a simple partition of the system, resulting in considerable computational savings. We then calculate the full contribution of NQEs to the free energies, including also anharmonic terms. We find that they result in an increase of up to 20% of the quantum contribution to the dissociation free energy compared with the harmonic estimates. We also find that the dissociation process has a negligible contribution from tunneling but is dominated by zero point energies, which can enhance the rate of dissociation by three orders of magnitude. Finally we highlight how both temperature and NQEs indirectly impact dipoles and the redistribution of electron density, causing work function changes of up to 0.4 eV with respect to static estimates. This quantitative determination of the change in the work function provides a possible approach to determine experimentally the most stable configurations of water

  12. Quantum dot spectroscopy

    DEFF Research Database (Denmark)

    Leosson, Kristjan

    1999-01-01

    Semiconductor quantum dots ("solid state atoms") are promising candidates for quantum computers and future electronic and optoelectronic devices. Quantum dots are zero-dimensional electronic systems and therefore have discrete energy levels, similar to atoms or molecules. The size distribution of...

  13. Quantum dot spectroscopy

    DEFF Research Database (Denmark)

    Leosson, Kristjan

    Semiconductor quantum dots ("solid-state atoms") are promising candidates for quantum computers and future electronic and optoelectronic devices. Quantum dots are zero-dimensional electronic systems and therefore have discrete energy levels, similar to atoms or molecules. The size distribution of...

  14. Energy barriers between metastable states in first-order quantum phase transitions

    Science.gov (United States)

    Wald, Sascha; Timpanaro, André M.; Cormick, Cecilia; Landi, Gabriel T.

    2018-02-01

    A system of neutral atoms trapped in an optical lattice and dispersively coupled to the field of an optical cavity can realize a variation of the Bose-Hubbard model with infinite-range interactions. This model exhibits a first-order quantum phase transition between a Mott insulator and a charge density wave, with spontaneous symmetry breaking between even and odd sites, as was recently observed experimentally [Landig et al., Nature (London) 532, 476 (2016), 10.1038/nature17409]. In the present paper, we approach the analysis of this transition using a variational model which allows us to establish the notion of an energy barrier separating the two phases. Using a discrete WKB method, we then show that the local tunneling of atoms between adjacent sites lowers this energy barrier and hence facilitates the transition. Within our simplified description, we are thus able to augment the phase diagram of the model with information concerning the height of the barrier separating the metastable minima from the global minimum in each phase, which is an essential aspect for the understanding of the reconfiguration dynamics induced by a quench across a quantum critical point.

  15. Composite quantum collision models

    Science.gov (United States)

    Lorenzo, Salvatore; Ciccarello, Francesco; Palma, G. Massimo

    2017-09-01

    A collision model (CM) is a framework to describe open quantum dynamics. In its memoryless version, it models the reservoir R as consisting of a large collection of elementary ancillas: the dynamics of the open system S results from successive collisions of S with the ancillas of R . Here, we present a general formulation of memoryless composite CMs, where S is partitioned into the very open system under study S coupled to one or more auxiliary systems {Si} . Their composite dynamics occurs through internal S -{Si} collisions interspersed with external ones involving {Si} and the reservoir R . We show that important known instances of quantum non-Markovian dynamics of S —such as the emission of an atom into a reservoir featuring a Lorentzian, or multi-Lorentzian, spectral density or a qubit subject to random telegraph noise—can be mapped on to such memoryless composite CMs.

  16. Quantum fields interacting with colliding plane waves: the stress-energy tensor and backreaction

    International Nuclear Information System (INIS)

    Dorca, M.; Verdaguer, E.

    1997-01-01

    Following a previous work on the quantization of a massless scalar field in a space-time representing the head on collision of two plane waves which focus into a Killing-Cauchy horizon, we compute the renormalized expectation value of the stress-energy tensor of the quantum field near that horizon in the physical state which corresponds to the Minkowski vacuum before the collision of the waves. It is found that for minimally coupled and conformally coupled scalar fields the respective stress-energy tensors are unbounded in the horizon. The specific form of the divergences suggests that when the semiclassical Einstein equations describing the backreaction of the quantum fields on the space-time geometry are taken into account, the horizon will acquire a curvature singularity. Thus the Killing-Cauchy horizon which is known to be unstable under ''generic'' classical perturbations is also unstable by vacuum polarization. The calculation is done following the point-splitting regularization technique. The dynamical colliding wave space-time has four quite distinct space-time regions, namely, one flat region, two single plane wave regions, and one interaction region. Exact mode solutions of the quantum field equation cannot be found exactly, but the blueshift suffered by the initial modes in the plane wave and interaction regions makes the use of the WKB expansion a suitable method of solution. To ensure the correct regularization of the stress-energy tensor, the initial flat modes propagated into the interaction region must be given to a rather high adiabatic order of approximation. (orig.)

  17. Partitioning planning studies: Preliminary evaluation of metal and radionuclide partitioning the high-temperature thermal treatment systems

    International Nuclear Information System (INIS)

    Liekhus, K.; Grandy, J.; Chambers, A.

    1997-03-01

    A preliminary study of toxic metals and radionuclide partitioning during high-temperature processing of mixed waste has been conducted during Fiscal Year 1996 within the Environmental Management Technology Evaluation Project. The study included: (a) identification of relevant partitioning mechanisms that cause feed material to be distributed between the solid, molten, and gas phases within a thermal treatment system; (b) evaluations of existing test data from applicable demonstration test programs as a means to identify and understand elemental and species partitioning; and, (c) evaluation of theoretical or empirical partitioning models for use in predicting elemental or species partitioning in a thermal treatment system. This preliminary study was conducted to identify the need for and the viability of developing the tools capable of describing and predicting toxic metals and radionuclide partitioning in the most applicable mixed waste thermal treatment processes. This document presents the results and recommendations resulting from this study that may serve as an impetus for developing and implementing these predictive tools

  18. Partitioning planning studies: Preliminary evaluation of metal and radionuclide partitioning the high-temperature thermal treatment systems

    Energy Technology Data Exchange (ETDEWEB)

    Liekhus, K.; Grandy, J.; Chambers, A. [and others

    1997-03-01

    A preliminary study of toxic metals and radionuclide partitioning during high-temperature processing of mixed waste has been conducted during Fiscal Year 1996 within the Environmental Management Technology Evaluation Project. The study included: (a) identification of relevant partitioning mechanisms that cause feed material to be distributed between the solid, molten, and gas phases within a thermal treatment system; (b) evaluations of existing test data from applicable demonstration test programs as a means to identify and understand elemental and species partitioning; and, (c) evaluation of theoretical or empirical partitioning models for use in predicting elemental or species partitioning in a thermal treatment system. This preliminary study was conducted to identify the need for and the viability of developing the tools capable of describing and predicting toxic metals and radionuclide partitioning in the most applicable mixed waste thermal treatment processes. This document presents the results and recommendations resulting from this study that may serve as an impetus for developing and implementing these predictive tools.

  19. Loss of quantum coherence from discrete quantum gravity

    International Nuclear Information System (INIS)

    Gambini, Rodolfo; Porto, Rafael A; Pullin, Jorge

    2004-01-01

    We show that a recent proposal for the quantization of gravity based on discrete spacetime implies a modification of standard quantum mechanics that naturally leads to a loss of coherence in quantum states of the type discussed by Milburn. The proposal overcomes the energy conservation problem of previously proposed decoherence mechanisms stemming from quantum gravity. Mesoscopic quantum systems (as Bose-Einstein condensates) appear as the most promising testing grounds for an experimental verification of the mechanism. (letter to the editor)

  20. Dynamic Load Balancing for PIC code using Eulerian/Lagrangian partitioning

    OpenAIRE

    Sauget, Marc; Latu, Guillaume

    2017-01-01

    This document presents an analysis of different load balance strategies for a Plasma physics code that models high energy particle beams with PIC method. A comparison of different load balancing algorithms is given: static or dynamic ones. Lagrangian and Eulerian partitioning techniques have been investigated.

  1. Partitioning and transmutation (P and T) 1997. Status report

    International Nuclear Information System (INIS)

    Enarsson, Aasa; Landgren, A.; Liljenzin, J.O.; Skaalberg, M.; Spjuth, L.; Gudowski, W.; Wallenius, J.

    1998-05-01

    Research on and the evaluation of partitioning and transmutation are currently in progress in many industrial countries due to its potential as a long-term, sustainable energy source with low environmental impact and due to its ability to destroy many long-lived nuclides. The cost of the research and development work on partitioning and transmutation is considered to be so great that international co-operation is required. With respect to Sweden, we recommend a balanced research work on both partitioning and transmutation technology. Within the area of partitioning, it is above all a question of locating new reagents which can be used to simplify the necessary partitioning processes and minimize the losses. The requirements with respect to high selectivity and minor losses will be significantly higher in a recirculating system based on transmutation than in the reprocessing facilities of today where only uranium and plutonium are recovered. If the utilized reagents can be easily destroyed, by dry or wet incineration and conversion into non-complex gaseous chemical compounds, this will open up good opportunities for the recovery of the radionuclides. From a purely technical standpoint, it would seem that a combination of different types of reactor systems would give the best possible transmutation efficiency. While existing light water reactors can be utilized for increased plutonium incineration, there is currently consensus about the view that reactors with high-energy neutrons are necessary to achieve a sufficiently high transmutation efficiency for neptunium, americium, curium and certain fission products. By allowing an accelerator-based neutron source to drive a subcritical heavy metal-cooled reactor, the potential for transmutation of fission products is increased, at the same time that satisfactory safety margins are achieved for certain fuel types with a low share of delayed neutrons and a high heat conductivity. Regardless of what types of systems are

  2. Partitioning and transmutation (P and T) 1997. Status report

    Energy Technology Data Exchange (ETDEWEB)

    Enarsson, Aasa; Landgren, A.; Liljenzin, J.O.; Skaalberg, M.; Spjuth, L. [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Nuclear Chemistry; Gudowski, W.; Wallenius, J. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Nuclear and Reactor Physics

    1998-05-01

    Research on and the evaluation of partitioning and transmutation are currently in progress in many industrial countries due to its potential as a long-term, sustainable energy source with low environmental impact and due to its ability to destroy many long-lived nuclides. The cost of the research and development work on partitioning and transmutation is considered to be so great that international co-operation is required. With respect to Sweden, we recommend a balanced research work on both partitioning and transmutation technology. Within the area of partitioning, it is above all a question of locating new reagents which can be used to simplify the necessary partitioning processes and minimize the losses. The requirements with respect to high selectivity and minor losses will be significantly higher in a recirculating system based on transmutation than in the reprocessing facilities of today where only uranium and plutonium are recovered. If the utilized reagents can be easily destroyed, by dry or wet incineration and conversion into non-complex gaseous chemical compounds, this will open up good opportunities for the recovery of the radionuclides. From a purely technical standpoint, it would seem that a combination of different types of reactor systems would give the best possible transmutation efficiency. While existing light water reactors can be utilized for increased plutonium incineration, there is currently consensus about the view that reactors with high-energy neutrons are necessary to achieve a sufficiently high transmutation efficiency for neptunium, americium, curium and certain fission products. By allowing an accelerator-based neutron source to drive a subcritical heavy metal-cooled reactor, the potential for transmutation of fission products is increased, at the same time that satisfactory safety margins are achieved for certain fuel types with a low share of delayed neutrons and a high heat conductivity. Regardless of what types of systems are

  3. Shell-Tunneling Spectroscopy of the Single-Particle Energy Levels of Insulating Quantum Dots

    NARCIS (Netherlands)

    Bakkers, E.P.A.M.; Hens, Z.; Zunger, A.; Franceschetti, A; Kouwenhoven, L.P.; Gurevich, L.; Vanmaekelbergh, D.

    2001-01-01

    The energy levels of CdSe quantum dots are studied by scanning tunneling spectroscopy. By varying the tip-dot distance, we switch from "shell-filling" spectroscopy (where electrons accumulate in the dot and experience mutual repulsion) to "shell-tunneling" spectroscopy (where electrons tunnel, one

  4. Hydrogenic impurity in double quantum dots

    International Nuclear Information System (INIS)

    Wang, X.F.

    2007-01-01

    The ground state binding energy and the average interparticle distances for a hydrogenic impurity in double quantum dots with Gaussian confinement potential are studied by the variational method. The probability density of the electron is calculated, too. The dependence of the binding energy on the impurity position is investigated for GaAs quantum dots. The result shows that the binding energy has a minimum as a function of the distance between the two quantum dots when the impurity is located at the center of one quantum dot or at the center of the edge of one quantum dot. When the impurity is located at the center of the two dots, the binding energy decreases monotonically

  5. Regularization of quantum gravity in the matrix model approach

    International Nuclear Information System (INIS)

    Ueda, Haruhiko

    1991-02-01

    We study divergence problem of the partition function in the matrix model approach for two-dimensional quantum gravity. We propose a new model V(φ) = 1/2Trφ 2 + g 4 /NTrφ 4 + g'/N 4 Tr(φ 4 ) 2 and show that in the sphere case it has no divergence problem and the critical exponent is of pure gravity. (author)

  6. Energy and Regge residues in quantum-mechanical ''QCD'' sum rules

    International Nuclear Information System (INIS)

    Durand, B.; Durand, L.

    1986-01-01

    It was shown recently by Fishbane, Kaus, and Gasiorowicz that the residues at the poles of quantum-mechanical two-point functions for arbitrary angular momenta l have an incorrect l dependence when calculated by the sum-rule method used for the analogous problem in QCD. Knowledge of the residues is of interest since they are directly related to particle couplings and decay widths. We develop reliable expressions for the energy and Regge residues using semiclassical methods

  7. A partitioning-free transmutation concept of nuclear waste reduction

    International Nuclear Information System (INIS)

    Taczanowski, S.

    1996-01-01

    The idea of a symbiotic nuclear energy system, consisted of an Accelerator-driven Fuel Regenerator and a number of LWRs serviced by it, is the subject of this study, in view of supposed safety and partitioning avoidance advantages. The design premises leading to this concept are widely discussed. 7 refs, 7 figs

  8. Hawk: A Runtime System for Partitioned Objects

    NARCIS (Netherlands)

    Ben Hassen, S.; Bal, H.E.; Tanenbaum, A.S.

    1997-01-01

    Hawk is a language-independent runtime system for writing data-parallel programs using partitioned objects. A partitioned object is a multidimensional array of elements that can be partitioned and distributed by the programmer. The Hawk runtime system uses the user-defined partitioning of objects

  9. Nutrient and carbohydrate partitioning in sorghum stover

    International Nuclear Information System (INIS)

    Powell, J.M.; Hons, F.M.; McBee, G.G.

    1991-01-01

    Sorghum [Sorghum bicolor (L.) Moench] stover has been demonstrated to be a potential biomass energy source. Complete aboveground crop removal, however, can result in soil degradation. Differential dry matter, nutrient, and carbohydrate partitioning by sorghum cultivars may allow management strategies that return certain parts to the field while removing other portions for alternative uses, such as energy production. A field study was conducted to determine N,P,K, nonstructural carbohydrate, cellulose hemicellulose, and lignin distributions in stover of three diverse sorghum cultivars of differing harvest indices. Determinations were based on total vegetative biomass; total blades; total stalks; and upper middle, and lower blades and stalks. Concentrations of N and P were higher in blades than stalks and generally declines from upper to lower stover parts. Large carbohydrate and lignin concentration differences were observed on the basis of cultivar and stover part. Greater nutrient partitioning to the upper third of the intermediate and forage-type sorghum stovers was observed as compared to the conventional grain cultivar. Stover carbohydrates for all cultivars were mainly contained in the lower two-thirds of the stalk fraction. A system was proposed for returning upper stover portion to soil, while removing remaining portions for alternative uses

  10. An energy and cost efficient majority-based RAM cell in quantum-dot cellular automata

    Science.gov (United States)

    Khosroshahy, Milad Bagherian; Moaiyeri, Mohammad Hossein; Navi, Keivan; Bagherzadeh, Nader

    Nanotechnologies, notably quantum-dot cellular automata, have achieved major attentions for their prominent features as compared to the conventional CMOS circuitry. Quantum-dot cellular automata, particularly owning to its considerable reduction in size, high switching speed and ultra-low energy consumption, is considered as a potential alternative for the CMOS technology. As the memory unit is one of the most essential components in a digital system, designing a well-optimized QCA random access memory (RAM) cell is an important area of research. In this paper, a new five-input majority gate is presented which is suitable for implementing efficient single-layer QCA circuits. In addition, a new RAM cell with set and reset capabilities is designed based on the proposed majority gate, which has an efficient and low-energy structure. The functionality, performance and energy consumption of the proposed designs are evaluated based on the QCADesigner and QCAPro tools. According to the simulation results, the proposed RAM design leads to on average 38% lower total energy dissipation, 25% smaller area, 20% lower cell count, 28% lower delay and 60% lower QCA cost as compared to its previous counterparts.

  11. Efficiency of free-energy calculations of spin lattices by spectral quantum algorithms

    International Nuclear Information System (INIS)

    Master, Cyrus P.; Yamaguchi, Fumiko; Yamamoto, Yoshihisa

    2003-01-01

    Ensemble quantum algorithms are well suited to calculate estimates of the energy spectra for spin-lattice systems. Based on the phase estimation algorithm, these algorithms efficiently estimate discrete Fourier coefficients of the density of states. Their efficiency in calculating the free energy per spin of general spin lattices to bounded error is examined. We find that the number of Fourier components required to bound the error in the free energy due to the broadening of the density of states scales polynomially with the number of spins in the lattice. However, the precision with which the Fourier components must be calculated is found to be an exponential function of the system size

  12. Structural characterization of CdSe/ZnS quantum dots using medium energy ion scattering

    Science.gov (United States)

    Sortica, M. A.; Grande, P. L.; Radtke, C.; Almeida, L. G.; Debastiani, R.; Dias, J. F.; Hentz, A.

    2012-07-01

    In the present work, we have analyzed CdSe/ZnS core-shell quantum dots by medium energy ion scattering (MEIS), which is a powerful technique to explore the synthesis, formation, stability, and elemental distribution of such core-shell structures, along with other auxiliary analytical techniques. By comparing different quantum-dot structural models spectra with the experimental MEIS data, we were able to obtain some sample structural information. We found that, despite the well known non stoichiometric Cd:Se ratio, the core is stoichiometric, and there is an excess of cadmium distributed in the shell.

  13. Quantum thermodynamics. Emergence of thermodynamic behavior within composite quantum systems. 2. ed.

    International Nuclear Information System (INIS)

    Gemmer, Jochen; Michel, M.; Mahler, Guenter

    2009-01-01

    This introductory text treats thermodynamics as an incomplete description of quantum systems with many degrees of freedom. Its main goal is to show that the approach to equilibrium -with equilibrium characterized by maximum ignorance about the open system of interest- neither requires that many particles nor is the precise way of partitioning, relevant for the salient features of equilibrium and equilibration. Furthermore, the text depicts that it is indeed quantum effects that are at work in bringing about thermodynamic behavior of modest-sized open systems, thus making Von Neumann's concept of entropy appear much more widely useful than sometimes feared, far beyond truly macroscopic systems in equilibrium. This significantly revised and expanded second edition pays more attention to the growing number of applications, especially non-equilibrium phenomena and thermodynamic processes of the nano-domain. In addition, to improve readability and reduce unneeded technical details, a large portion of this book has been thoroughly rewritten. (orig.)

  14. [On the partition of acupuncture academic schools].

    Science.gov (United States)

    Yang, Pengyan; Luo, Xi; Xia, Youbing

    2016-05-01

    Nowadays extensive attention has been paid on the research of acupuncture academic schools, however, a widely accepted method of partition of acupuncture academic schools is still in need. In this paper, the methods of partition of acupuncture academic schools in the history have been arranged, and three typical methods of"partition of five schools" "partition of eighteen schools" and "two-stage based partition" are summarized. After adeep analysis on the disadvantages and advantages of these three methods, a new method of partition of acupuncture academic schools that is called "three-stage based partition" is proposed. In this method, after the overall acupuncture academic schools are divided into an ancient stage, a modern stage and a contemporary stage, each schoolis divided into its sub-school category. It is believed that this method of partition can remedy the weaknesses ofcurrent methods, but also explore a new model of inheritance and development under a different aspect through thedifferentiation and interaction of acupuncture academic schools at three stages.

  15. Use of JANAF Tables in Equilibrium Calculations and Partition Function Calculations for an Undergraduate Physical Chemistry Course

    Science.gov (United States)

    Cleary, David A.

    2014-01-01

    The usefulness of the JANAF tables is demonstrated with specific equilibrium calculations. An emphasis is placed on the nature of standard chemical potential calculations. Also, the use of the JANAF tables for calculating partition functions is examined. In the partition function calculations, the importance of the zero of energy is highlighted.

  16. Canopy sink-source partitioning influences root/soil respiration in apple

    Science.gov (United States)

    The root system of plants derives all its energy from photosynthate translocated from the canopy to the root system. Canopy manipulations that alter either the rate of canopy photosynthesis or the translocation of photosynthate are expected to alter dry matter partitioning to the root system. Fiel...

  17. Analysis of load balance in hybrid partitioning | Talib | Botswana ...

    African Journals Online (AJOL)

    In information retrieval systems, there are three types of index partitioning schemes - term partitioning, document partitioning, and hybrid partitioning. The hybrid-partitioning scheme combines both term and document partitioning schemes. Term partitioning provides high concurrency, which means that queries can be ...

  18. Regulation of assimilate partitioning by daylength and spectral quality

    Energy Technology Data Exchange (ETDEWEB)

    Britz, S.J. [USDA-Climate Stress Lab., Beltsville, MD (United States)

    1994-12-31

    Photosynthesis is the process by which plants utilize light energy to assimilate and transform carbon dioxide into products that support growth and development. The preceding review provides an excellent summary of photosynthetic mechanisms and diurnal patterns of carbon metabolism with emphasis on the importance of gradual changes in photosynthetically-active radiation at dawn and dusk. In addition to these direct effects of irradiance, there are indirect effects of light period duration and spectral quality on carbohydrate metabolism and assimilate partitioning. Both daylength and spectral quality trigger developmental phenomena such as flowering (e.g., photoperiodism) and shade avoidance responses, but their effects on partitioning of photoassimilates in leaves are less well known. Moreover, the adaptive significance to the plants of such effects is sometimes not clear.

  19. Simulation of a broadband nano-biosensor based on an onion-like quantum dot-quantum well structure

    Energy Technology Data Exchange (ETDEWEB)

    Absalan, H; SalmanOgli, A; Rostami, R

    2013-07-31

    The fluorescence resonance energy transfer is studied between modified quantum-dots and quantum-wells used as a donor and an acceptor. Because of the unique properties of quantum dots, including diverse surface modification flexibility, bio-compatibility, high quantum yields and wide absorption, their use as nano-biosensors and bio-markers used in diagnosis of cancer is suggested. The fluorescence resonance energy transfer is simulated in a quantum dot-quantum well system, where the energy can flow from donor to acceptor. If the energy transfer can be either turned on or off by a specific interaction, such as interaction with any dyes, a molecular binding event or a cleavage reaction, a sensor can be designed (under assumption that the healthy cells have a known effect or unyielding effect on output parameters while cancerous cells, due to their pandemic optical properties, can impact the fluorescence resonance energy transfer parameters). The developed nano-biosensor can operate in a wide range of wavelengths (310 - 760 nm). (laser applications in biology and medicine)

  20. Simulation of a broadband nano-biosensor based on an onion-like quantum dot–quantum well structure

    International Nuclear Information System (INIS)

    Absalan, H; SalmanOgli, A; Rostami, R

    2013-01-01

    The fluorescence resonance energy transfer is studied between modified quantum-dots and quantum-wells used as a donor and an acceptor. Because of the unique properties of quantum dots, including diverse surface modification flexibility, bio-compatibility, high quantum yields and wide absorption, their use as nano-biosensors and bio-markers used in diagnosis of cancer is suggested. The fluorescence resonance energy transfer is simulated in a quantum dot–quantum well system, where the energy can flow from donor to acceptor. If the energy transfer can be either turned on or off by a specific interaction, such as interaction with any dyes, a molecular binding event or a cleavage reaction, a sensor can be designed (under assumption that the healthy cells have a known effect or unyielding effect on output parameters while cancerous cells, due to their pandemic optical properties, can impact the fluorescence resonance energy transfer parameters). The developed nano-biosensor can operate in a wide range of wavelengths (310 – 760 nm). (laser applications in biology and medicine)

  1. Nanostructure van der Waals interaction between a quantum well and a quantum dot atom

    International Nuclear Information System (INIS)

    Horing, Norman J Morgenstern

    2006-01-01

    We examine the van der Waals interaction between mobile plasma electrons in a narrow quantum well nanostructure and a quantum dot atom. This formulation of the van der Waals interaction exhibits it to second order as the correlation energy (self-energy) of the dot-atom electrons mediated by the image potential arising from the dynamic, nonlocal and spatially inhomogeneous polarization of the quantum well plasma electrons. This image potential of the quantum-well plasma is, in turn, determined by the dynamic, nonlocal, inhomogeneous screening function of the quantum well, which involves the space-time matrix inversion of its spatially inhomogeneous, nonlocal and time-dependent dielectric function. The latter matrix inversion is carried out exactly, in closed form, and the van der Waals energy is evaluated in the electrostatic limit to dipole-dipole terms

  2. Binding Energy and Lifetime of Excitons in InxGa1-xAs/GaAs Quantum Wells

    DEFF Research Database (Denmark)

    Orani, D.; Polimeni, A.; Patane, A.

    1997-01-01

    We report a systematic study of exciton binding energies and lifetimes in InGaAs/GaAs quantum wells. The experimental binding energies have been deduced from photoluminescence excitation measurements taking into account the contribution of the 2s state of the exciton and the line broadening...

  3. Quantum features of semiconductor quantum dots

    International Nuclear Information System (INIS)

    Lozada-Cassou, M.; Dong Shihai; Yu Jiang

    2004-01-01

    The exact solutions of the two-dimensional Schrodinger equation with the position-dependent mass for the square well potential in the semiconductor quantum dots system are obtained. The eigenvalues, which are closely related to the position-dependent masses μ1 and μ2, the potential well depth V0 and the radius of the quantum dots r0, can be calculated from two boundary conditions. We generalize this quantum system to three-dimensional case. The special cases for the angular momentum quantum number l=0, 1, 2 are studied in some detail. We find that the energy levels are proportional to the parameters μ2, V0 and r0 for l=0. The relations between them for l=1, 2 become very complicated. The scattering states of this quantum system are mentioned briefly

  4. Sound intensity as a function of sound insulation partition

    OpenAIRE

    Cvetkovic , S.; Prascevic , R.

    1994-01-01

    In the modern engineering practice, the sound insulation of the partitions is the synthesis of the theory and of the experience acquired in the procedure of the field and of the laboratory measurement. The science and research public treat the sound insulation in the context of the emission and propagation of the acoustic energy in the media with the different acoustics impedance. In this paper, starting from the essence of physical concept of the intensity as the energy vector, the authors g...

  5. Group field theory formulation of 3D quantum gravity coupled to matter fields

    International Nuclear Information System (INIS)

    Oriti, Daniele; Ryan, James

    2006-01-01

    We present a new group field theory describing 3D Riemannian quantum gravity coupled to matter fields for any choice of spin and mass. The perturbative expansion of the partition function produces fat graphs coloured with SU(2) algebraic data, from which one can reconstruct at once a three-dimensional simplicial complex representing spacetime and its geometry, like in the Ponzano-Regge formulation of pure 3D quantum gravity, and the Feynman graphs for the matter fields. The model then assigns quantum amplitudes to these fat graphs given by spin foam models for gravity coupled to interacting massive spinning point particles, whose properties we discuss

  6. QSPIN: A High Level Java API for Quantum Computing Experimentation

    Science.gov (United States)

    Barth, Tim

    2017-01-01

    QSPIN is a high level Java language API for experimentation in QC models used in the calculation of Ising spin glass ground states and related quadratic unconstrained binary optimization (QUBO) problems. The Java API is intended to facilitate research in advanced QC algorithms such as hybrid quantum-classical solvers, automatic selection of constraint and optimization parameters, and techniques for the correction and mitigation of model and solution errors. QSPIN includes high level solver objects tailored to the D-Wave quantum annealing architecture that implement hybrid quantum-classical algorithms [Booth et al.] for solving large problems on small quantum devices, elimination of variables via roof duality, and classical computing optimization methods such as GPU accelerated simulated annealing and tabu search for comparison. A test suite of documented NP-complete applications ranging from graph coloring, covering, and partitioning to integer programming and scheduling are provided to demonstrate current capabilities.

  7. Probing Entanglement in Adiabatic Quantum Optimization with Trapped Ions

    Directory of Open Access Journals (Sweden)

    Philipp eHauke

    2015-04-01

    Full Text Available Adiabatic quantum optimization has been proposed as a route to solve NP-complete problems, with a possible quantum speedup compared to classical algorithms. However, the precise role of quantum effects, such as entanglement, in these optimization protocols is still unclear. We propose a setup of cold trapped ions that allows one to quantitatively characterize, in a controlled experiment, the interplay of entanglement, decoherence, and non-adiabaticity in adiabatic quantum optimization. We show that, in this way, a broad class of NP-complete problems becomes accessible for quantum simulations, including the knapsack problem, number partitioning, and instances of the max-cut problem. Moreover, a general theoretical study reveals correlations of the success probability with entanglement at the end of the protocol. From exact numerical simulations for small systems and linear ramps, however, we find no substantial correlations with the entanglement during the optimization. For the final state, we derive analytically a universal upper bound for the success probability as a function of entanglement, which can be measured in experiment. The proposed trapped-ion setups and the presented study of entanglement address pertinent questions of adiabatic quantum optimization, which may be of general interest across experimental platforms.

  8. Quantum gravity and quantum cosmology

    CERN Document Server

    Papantonopoulos, Lefteris; Siopsis, George; Tsamis, Nikos

    2013-01-01

    Quantum gravity has developed into a fast-growing subject in physics and it is expected that probing the high-energy and high-curvature regimes of gravitating systems will shed some light on how to eventually achieve an ultraviolet complete quantum theory of gravity. Such a theory would provide the much needed information about fundamental problems of classical gravity, such as the initial big-bang singularity, the cosmological constant problem, Planck scale physics and the early-time inflationary evolution of our Universe.   While in the first part of this book concepts of quantum gravity are introduced and approached from different angles, the second part discusses these theories in connection with cosmological models and observations, thereby exploring which types of signatures of modern and mathematically rigorous frameworks can be detected by experiments. The third and final part briefly reviews the observational status of dark matter and dark energy, and introduces alternative cosmological models.   ...

  9. Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Mohseni, M. [Google Research, Venice, California 90291 (United States); Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Shabani, A. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Department of Chemistry, University of California at Berkeley, Berkeley, California 94720 (United States); Lloyd, S. [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Rabitz, H. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States)

    2014-01-21

    Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to important parameters of environmental interactions including reorganization energy λ, bath frequency cutoff γ, temperature T, and bath spatial correlations. We identify the ratio of k{sub B}λT/ℏγ⁢g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap.

  10. Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

    International Nuclear Information System (INIS)

    Mohseni, M.; Shabani, A.; Lloyd, S.; Rabitz, H.

    2014-01-01

    Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to important parameters of environmental interactions including reorganization energy λ, bath frequency cutoff γ, temperature T, and bath spatial correlations. We identify the ratio of k B λT/ℏγ⁢g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap

  11. Does horizon entropy satisfy a quantum null energy conjecture?

    Science.gov (United States)

    Fu, Zicao; Marolf, Donald

    2016-12-01

    A modern version of the idea that the area of event horizons gives 4G times an entropy is the Hubeny-Rangamani causal holographic information (CHI) proposal for holographic field theories. Given a region R of a holographic QFTs, CHI computes A/4G on a certain cut of an event horizon in the gravitational dual. The result is naturally interpreted as a coarse-grained entropy for the QFT. CHI is known to be finitely greater than the fine-grained Hubeny-Rangamani-Takayanagi (HRT) entropy when \\partial R lies on a Killing horizon of the QFT spacetime, and in this context satisfies other non-trivial properties expected of an entropy. Here we present evidence that it also satisfies the quantum null energy condition (QNEC), which bounds the second derivative of the entropy of a quantum field theory on one side of a non-expanding null surface by the flux of stress-energy across the surface. In particular, we show CHI to satisfy the QNEC in 1  +  1 holographic CFTs when evaluated in states dual to conical defects in AdS3. This surprising result further supports the idea that CHI defines a useful notion of coarse-grained holographic entropy, and suggests unprecedented bounds on the rate at which bulk horizon generators emerge from a caustic. To supplement our motivation, we include an appendix deriving a corresponding coarse-grained generalized second law for 1  +  1 holographic CFTs perturbatively coupled to dilaton gravity.

  12. The g-theorem and quantum information theory

    Energy Technology Data Exchange (ETDEWEB)

    Casini, Horacio; Landea, Ignacio Salazar; Torroba, Gonzalo [Centro Atómico Bariloche and CONICET,S.C. de Bariloche, Río Negro, R8402AGP (Argentina)

    2016-10-25

    We study boundary renormalization group flows between boundary conformal field theories in 1+1 dimensions using methods of quantum information theory. We define an entropic g-function for theories with impurities in terms of the relative entanglement entropy, and we prove that this g-function decreases along boundary renormalization group flows. This entropic g-theorem is valid at zero temperature, and is independent from the g-theorem based on the thermal partition function. We also discuss the mutual information in boundary RG flows, and how it encodes the correlations between the impurity and bulk degrees of freedom. Our results provide a quantum-information understanding of (boundary) RG flow as increase of distinguishability between the UV fixed point and the theory along the RG flow.

  13. Revealing novel quantum phases in quantum antiferromagnets on random lattices

    Directory of Open Access Journals (Sweden)

    R. Yu

    2009-01-01

    Full Text Available Quantum magnets represent an ideal playground for the controlled realization of novel quantum phases and of quantum phase transitions. The Hamiltonian of the system can be indeed manipulated by applying a magnetic field or pressure on the sample. When doping the system with non-magnetic impurities, novel inhomogeneous phases emerge from the interplay between geometric randomness and quantum fluctuations. In this paper we review our recent work on quantum phase transitions and novel quantum phases realized in disordered quantum magnets. The system inhomogeneity is found to strongly affect phase transitions by changing their universality class, giving the transition a novel, quantum percolative nature. Such transitions connect conventionally ordered phases to unconventional, quantum disordered ones - quantum Griffiths phases, magnetic Bose glass phases - exhibiting gapless spectra associated with low-energy localized excitations.

  14. Matrix quantum mechanics on S1/Z2

    Directory of Open Access Journals (Sweden)

    P. Betzios

    2018-03-01

    Full Text Available We study Matrix Quantum Mechanics on the Euclidean time orbifold S1/Z2. Upon Wick rotation to Lorentzian time and taking the double-scaling limit this theory provides a toy model for a big-bang/big crunch universe in two dimensional non-critical string theory where the orbifold fixed points become cosmological singularities. We derive the MQM partition function both in the canonical and grand canonical ensemble in two different formulations and demonstrate agreement between them. We pinpoint the contribution of twisted states in both of these formulations either in terms of bi-local operators acting at the end-points of time or branch-cuts on the complex plane. We calculate, in the matrix model, the contribution of the twisted states to the torus level partition function explicitly and show that it precisely matches the world-sheet result, providing a non-trivial test of the proposed duality. Finally we discuss some interesting features of the partition function and the possibility of realising it as a τ-function of an integrable hierarchy.

  15. Matrix quantum mechanics on S1 /Z2

    Science.gov (United States)

    Betzios, P.; Gürsoy, U.; Papadoulaki, O.

    2018-03-01

    We study Matrix Quantum Mechanics on the Euclidean time orbifold S1 /Z2. Upon Wick rotation to Lorentzian time and taking the double-scaling limit this theory provides a toy model for a big-bang/big crunch universe in two dimensional non-critical string theory where the orbifold fixed points become cosmological singularities. We derive the MQM partition function both in the canonical and grand canonical ensemble in two different formulations and demonstrate agreement between them. We pinpoint the contribution of twisted states in both of these formulations either in terms of bi-local operators acting at the end-points of time or branch-cuts on the complex plane. We calculate, in the matrix model, the contribution of the twisted states to the torus level partition function explicitly and show that it precisely matches the world-sheet result, providing a non-trivial test of the proposed duality. Finally we discuss some interesting features of the partition function and the possibility of realising it as a τ-function of an integrable hierarchy.

  16. Statistical distribution of the local purity in a large quantum system

    International Nuclear Information System (INIS)

    De Pasquale, A; Pascazio, S; Facchi, P; Giovannetti, V; Parisi, G; Scardicchio, A

    2012-01-01

    The local purity of large many-body quantum systems can be studied by following a statistical mechanical approach based on a random matrix model. Restricting the analysis to the case of global pure states, this method proved to be successful, and a full characterization of the statistical properties of the local purity was obtained by computing the partition function of the problem. Here we generalize these techniques to the case of global mixed states. In this context, by uniformly sampling the phase space of states with assigned global mixedness, we determine the exact expression of the first two moments of the local purity and a general expression for the moments of higher order. This generalizes previous results obtained for globally pure configurations. Furthermore, through the introduction of a partition function for a suitable canonical ensemble, we compute the approximate expression of the first moment of the marginal purity in the high-temperature regime. In the process, we establish a formal connection with the theory of quantum twirling maps that provides an alternative, possibly fruitful, way of performing the calculation. (paper)

  17. Identification of the low-energy excitations in a quantum critical system

    Directory of Open Access Journals (Sweden)

    Tom Heitmann

    2017-05-01

    Full Text Available We have identified low-energy magnetic excitations in a doped quantum critical system by means of polarized neutron scattering experiments. The presence of these excitations could explain why Ce(Fe0.76Ru0.242Ge2 displays dynamical scaling in the absence of local critical behavior or long-range spin-density wave criticality. The low-energy excitations are associated with the reorientations of the superspins of fully ordered, isolated magnetic clusters that form spontaneously upon lowering the temperature. The system houses both frozen clusters and dynamic clusters, as predicted by Hoyos and Vojta [Phys. Rev. B 74, 140401(R (2006].

  18. Phosphorene quantum dot-fullerene nanocomposites for solar energy conversion: An unexplored inorganic-organic nanohybrid with novel photovoltaic properties

    Science.gov (United States)

    Rajbanshi, Biplab; Kar, Moumita; Sarkar, Pallavi; Sarkar, Pranab

    2017-10-01

    Using the self-consistent charge density-functional based tight-binding (SCC-DFTB) method, coupled with time-dependent density functional theory (TDDFT) calculations, for the first time we explore the possibility of use of phosphorene quantum dots in solar energy harvesting devices. The phosphorene quantum dots-fullerene (PQDs-PCBA) nanocomposites show type-II band alignment indicating spatial separation of charge carriers. The TDDFT calculations also show that the PQD-fullerene nanocomposites seem to be exciting material for future generation solar energy harvester, with extremely fast charge transfer and very poor recombination rate.

  19. Partitioning sparse rectangular matrices for parallel processing

    Energy Technology Data Exchange (ETDEWEB)

    Kolda, T.G.

    1998-05-01

    The authors are interested in partitioning sparse rectangular matrices for parallel processing. The partitioning problem has been well-studied in the square symmetric case, but the rectangular problem has received very little attention. They will formalize the rectangular matrix partitioning problem and discuss several methods for solving it. They will extend the spectral partitioning method for symmetric matrices to the rectangular case and compare this method to three new methods -- the alternating partitioning method and two hybrid methods. The hybrid methods will be shown to be best.

  20. A brief history of partitions of numbers, partition functions and their modern applications

    Science.gov (United States)

    Debnath, Lokenath

    2016-04-01

    'Number rules the universe.' The Pythagoras 'If you wish to forsee the future of mathematics our course is to study the history and present conditions of the science.' Henri Poincaré 'The primary source (Urqell) of all mathematics are integers.' Hermann Minkowski This paper is written to commemorate the centennial anniversary of the Mathematical Association of America. It deals with a short history of different kinds of natural numbers including triangular, square, pentagonal, hexagonal and k-gonal numbers, and their simple properties and their geometrical representations. Included are Euclid's and Pythagorean's main contributions to elementary number theory with the main contents of the Euclid Elements of the 13-volume masterpiece of mathematical work. This is followed by Euler's new discovery of the additive number theory based on partitions of numbers. Special attention is given to many examples, Euler's theorems on partitions of numbers with geometrical representations of Ferrers' graphs, Young's diagrams, Lagrange's four-square theorem and the celebrated Waring problem. Included are Euler's generating functions for the partitions of numbers, Euler's pentagonal number theorem, Gauss' triangular and square number theorems and the Jacobi triple product identity. Applications of the theory of partitions of numbers to different statistics such as the Bose- Einstein, Fermi- Dirac, Gentile, and Maxwell- Boltzmann statistics are briefly discussed. Special attention is given to pedagogical information through historical approach to number theory so that students and teachers at the school, college and university levels can become familiar with the basic concepts of partitions of numbers, partition functions and their modern applications, and can pursue advanced study and research in analytical and computational number theory.

  1. Partition functions. I. Improved partition functions and thermodynamic quantities for normal, equilibrium, and ortho and para molecular hydrogen

    Science.gov (United States)

    Popovas, A.; Jørgensen, U. G.

    2016-11-01

    Context. Hydrogen is the most abundant molecule in the Universe. Its thermodynamic quantities dominate the physical conditions in molecular clouds, protoplanetary disks, etc. It is also of high interest in plasma physics. Therefore thermodynamic data for molecular hydrogen have to be as accurate as possible in a wide temperature range. Aims: We here rigorously show the shortcomings of various simplifications that are used to calculate the total internal partition function. These shortcomings can lead to errors of up to 40 percent or more in the estimated partition function. These errors carry on to calculations of thermodynamic quantities. Therefore a more complicated approach has to be taken. Methods: Seven possible simplifications of various complexity are described, together with advantages and disadvantages of direct summation of experimental values. These were compared to what we consider the most accurate and most complete treatment (case 8). Dunham coefficients were determined from experimental and theoretical energy levels of a number of electronically excited states of H2. Both equilibrium and normal hydrogen was taken into consideration. Results: Various shortcomings in existing calculations are demonstrated, and the reasons for them are explained. New partition functions for equilibrium, normal, and ortho and para hydrogen are calculated and thermodynamic quantities are reported for the temperature range 1-20 000 K. Our results are compared to previous estimates in the literature. The calculations are not limited to the ground electronic state, but include all bound and quasi-bound levels of excited electronic states. Dunham coefficients of these states of H2 are also reported. Conclusions: For most of the relevant astrophysical cases it is strongly advised to avoid using simplifications, such as a harmonic oscillator and rigid rotor or ad hoc summation limits of the eigenstates to estimate accurate partition functions and to be particularly careful when

  2. Quantum optics of optomechanical networks

    International Nuclear Information System (INIS)

    Stannigel, K.

    2012-01-01

    particular, that driven many-body cascaded spin-networks exhibit a whole class of pure, generally multi-partite entangled steady states. These ''dark'' states can be understood as the system being its own ''coherent quantum absorber'', where no scattered light escapes from the network. Their entanglement structure can be tuned by adjusting local parameters and the complex interplay with mixed, ''bright'' steady states makes the system a new and interesting non-equilibrium quantum many-body problem. (author) [de

  3. Quantum molecular dynamics study on energy transfer to the secondary electron in surface collision process of an ion

    International Nuclear Information System (INIS)

    Shibahara, M; Satake, S; Taniguchi, J

    2008-01-01

    In the present study the quantum molecular dynamics method was applied to an energy transfer problem to an electron during ionic surface collision process in order to elucidate how energy of ionic collision transfers to the emitted electrons. Effects of various physical parameters, such as the collision velocity and interaction strength between the observed electron and the classical particles on the energy transfer to the electron were investigated by the quantum molecular dynamics method when the potassium ion was collided with the surface so as to elucidate the energy path to the electron and the predominant factor of energy transfer to the electron. Effects of potential energy between the ion and the electron and that between the surface molecule and the electron on the electronic energy transfer were shown in the present paper. The energy transfer to the observed secondary electron through the potential energy term between the ion and the electron was much dependent on the ion collision energy although the energy increase to the observed secondary electron was not monotonous through the potential energy between the ion and surface molecules with the change of the ion collision energy

  4. Solution to the sign problem in a frustrated quantum impurity model

    Energy Technology Data Exchange (ETDEWEB)

    Hann, Connor T., E-mail: connor.hann@yale.edu [Department of Physics, Box 90305, Duke University, Durham, NC 27708 (United States); Huffman, Emilie [Department of Physics, Box 90305, Duke University, Durham, NC 27708 (United States); Chandrasekharan, Shailesh [Department of Physics, Box 90305, Duke University, Durham, NC 27708 (United States); Center for High Energy Physics, Indian Institute of Science, Bangalore, 560 012 (India)

    2017-01-15

    In this work we solve the sign problem of a frustrated quantum impurity model consisting of three quantum spin-half chains interacting through an anti-ferromagnetic Heisenberg interaction at one end. We first map the model into a repulsive Hubbard model of spin-half fermions hopping on three independent one dimensional chains that interact through a triangular hopping at one end. We then convert the fermion model into an inhomogeneous one dimensional model and express the partition function as a weighted sum over fermion worldline configurations. By imposing a pairing of fermion worldlines in half the space we show that all negative weight configurations can be eliminated. This pairing naturally leads to the original frustrated quantum spin model at half filling and thus solves its sign problem.

  5. Electron-longitudinal-acoustic-phonon scattering in double-quantum-dot based quantum gates

    International Nuclear Information System (INIS)

    Zhao Peiji; Woolard, Dwight L.

    2008-01-01

    We propose a nanostructure design which can significantly suppress longitudinal-acoustic-phonon-electron scattering in double-quantum-dot based quantum gates for quantum computing. The calculated relaxation rates vs. bias voltage exhibit a double-peak feature with a minimum approaching 10 5 s -1 . In this matter, the energy conservation law prohibits scattering contributions from phonons with large momenta; furthermore, increasing the barrier height between the double quantum dots reduces coupling strength between the dots. Hence, the joint action of the energy conservation law and the decoupling greatly reduces the scattering rates. The degrading effects of temperatures can be reduced simply by increasing the height of the barrier between the dots

  6. Introduction to topological quantum matter & quantum computation

    CERN Document Server

    Stanescu, Tudor D

    2017-01-01

    What is -topological- about topological quantum states? How many types of topological quantum phases are there? What is a zero-energy Majorana mode, how can it be realized in a solid state system, and how can it be used as a platform for topological quantum computation? What is quantum computation and what makes it different from classical computation? Addressing these and other related questions, Introduction to Topological Quantum Matter & Quantum Computation provides an introduction to and a synthesis of a fascinating and rapidly expanding research field emerging at the crossroads of condensed matter physics, mathematics, and computer science. Providing the big picture, this book is ideal for graduate students and researchers entering this field as it allows for the fruitful transfer of paradigms and ideas amongst different areas, and includes many specific examples to help the reader understand abstract and sometimes challenging concepts. It explores the topological quantum world beyond the well-know...

  7. Relativistic quantum chemistry on quantum computers

    DEFF Research Database (Denmark)

    Veis, L.; Visnak, J.; Fleig, T.

    2012-01-01

    The past few years have witnessed a remarkable interest in the application of quantum computing for solving problems in quantum chemistry more efficiently than classical computers allow. Very recently, proof-of-principle experimental realizations have been reported. However, so far only...... the nonrelativistic regime (i.e., the Schrodinger equation) has been explored, while it is well known that relativistic effects can be very important in chemistry. We present a quantum algorithm for relativistic computations of molecular energies. We show how to efficiently solve the eigenproblem of the Dirac......-Coulomb Hamiltonian on a quantum computer and demonstrate the functionality of the proposed procedure by numerical simulations of computations of the spin-orbit splitting in the SbH molecule. Finally, we propose quantum circuits with three qubits and nine or ten controlled-NOT (CNOT) gates, which implement a proof...

  8. Thermoelectric energy conversion in layered structures with strained Ge quantum dots grown on Si surfaces

    Science.gov (United States)

    Korotchenkov, Oleg; Nadtochiy, Andriy; Kuryliuk, Vasyl; Wang, Chin-Chi; Li, Pei-Wen; Cantarero, Andres

    2014-03-01

    The efficiency of the energy conversion devices depends in many ways on the materials used and various emerging cost-effective nanomaterials have promised huge potentials in highly efficient energy conversion. Here we show that thermoelectric voltage can be enhanced by a factor of 3 using layer-cake growth of Ge quantum dots through thermal oxidation of SiGe layers stacked in SiO2/Si3N4 multilayer structure. The key to achieving this behavior has been to strain the Ge/Si interface by Ge dots migrating to Si substrate. Calculations taking into account the carrier trapping in the dot with a quantum transmission into the neighboring dot show satisfactory agreement with experiments above ≈200 K. The results may be of interest for improving the functionality of thermoelectric devices based on Ge/Si.

  9. Local decoherence-resistant quantum states of large systems

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Utkarsh; Sen, Aditi; Sen, Ujjwal, E-mail: ujjwal@hri.res.in

    2015-02-06

    We identify an effectively decoherence-free class of quantum states, each of which consists of a “minuscule” and a “large” sector, against local noise. In particular, the content of entanglement and other quantum correlations in the minuscule to large partition is independent of the number of particles in their large sectors, when all the particles suffer passage through local amplitude and phase damping channels. The states of the large sectors are distinct in terms of markedly different amounts of violation of Bell inequality. In case the large sector is macroscopic, such states are akin to the Schrödinger cat. - Highlights: • We identify an effectively decoherence-free class of quantum states of large systems. • We work with local noise models. • Decay of entanglement as well as information-theoretic quantum correlations considered. • The states are of the form of the Schrödinger cats, with minuscule and large sectors. • The states of the large sector are distinguishable by their violation of Bell inequality.

  10. Quantum statistical entropy corresponding to cosmic horizon in five-dimensional spacetime

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The generalized uncertainty relation is introduced to calculate the quantum statis-tical entropy corresponding to cosmic horizon. By using the new equation of state density motivated by the generalized uncertainty relation, we discuss entropies of Bose field and Fermi field on the background of five-dimensional spacetime. In our calculation, we need not introduce cutoff. There is no divergent logarithmic term in the original brick-wall method. And it is obtained that the quantum statistical en-tropy corresponding to cosmic horizon is proportional to the area of the horizon. Further it is shown that the entropy corresponding to cosmic horizon is the entropy of quantum state on the surface of horizon. The black hole’s entropy is the intrinsic property of the black hole. The entropy is a quantum effect. In our calculation, by using the quantum statistical method, we obtain the partition function of Bose field and Fermi field on the background of five-dimensional spacetime. We provide a way to study the quantum statistical entropy corresponding to cosmic horizon in the higher-dimensional spacetime.

  11. Quantum mechanics and precision measurements

    International Nuclear Information System (INIS)

    Ramsey, N.F.

    1995-01-01

    The accuracies of measurements of almost all fundamental physical constants have increased by factors of about 10000 during the past 60 years. Although some of the improvements are due to greater care, most are due to new techniques based on quantum mechanics. Although the Heisenberg Uncertainty Principle often limits measurement accuracies, in many cases the validity of quantum mechanics makes possible the vastly improved measurement accuracies. Seven quantum features that have a profound influence on the science of measurements are: 1) Existence of discrete quantum states of energy. 2) Energy conservation in transitions between two states. 3) Electromagnetic radiation of frequency v is quantized with energy hv per quantum. 4) The identity principle. 5) The Heisenberg Uncertainty Principle. 6) Addition of probability amplitudes (not probabilities). 7) Wave and coherent phase phenomena. Of these seven quantum features, only the Heisenberg Uncertainty Principle limits the accuracy of measurements, and its effect is often negligibly small. The other six features make possible much more accurate measurements of quantum systems than with almost all classical systems. These effects are discussed and illustrated

  12. Determining the exact number of dye molecules attached to colloidal CdSe/ZnS quantum dots in Förster resonant energy transfer assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Kaiser, Uwe; Jimenez de Aberasturi, Dorleta; Vázquez-González, Margarita; Carrillo-Carrion, Carolina; Niebling, Tobias; Parak, Wofgang J.; Heimbrodt, Wolfram, E-mail: Wolfram.Heimbrodt@physik.uni-marburg.de [Department of Physics and Material Sciences Center, Philipps-University Marburg, Renthof 5, D-35032 Marburg (Germany)

    2015-01-14

    Semiconductor quantum dots functionalized with organic dye molecules are important tools for biological sensor applications. Energy transfer between the quantum dot and the attached dyes can be utilized for sensing. Though important, the determination of the real number of dye molecules attached per quantum dot is rather difficult. In this work, a method will be presented to determine the number of ATTO-590 dye molecules attached to CdSe/ZnS quantum dots based on time resolved spectral analysis. The energy transfer from the excited quantum dot to the attached ATTO-590 dye leads to a reduced lifetime of the quantum dot's excitons. The higher the concentration of dye molecules, the shorter the excitonic lifetime becomes. However, the number of dye molecules attached per quantum dot will vary. Therefore, for correctly explaining the decay of the luminescence upon photoexcitation of the quantum dot, it is necessary to take into account the distribution of the number of dyes attached per quantum dot. A Poisson distribution of the ATTO-590 dye molecules not only leads to excellent agreement between experimental and theoretical decay curves but also additionally yields the average number of dye molecules attached per quantum dot. In this way, the number of dyes per quantum dot can be conveniently determined.

  13. Ground-state energy of an exciton-(LO) phonon system in a parabolic quantum well

    Science.gov (United States)

    Gerlach, B.; Wüsthoff, J.; Smondyrev, M. A.

    1999-12-01

    This paper presents a variational study of the ground-state energy of an exciton-(LO) phonon system, which is spatially confined to a quantum well. The exciton-phonon interaction is of Fröhlich type, the confinement potentials are assumed to be parabolic functions of the coordinates. Making use of functional integral techniques, the phonon part of the problem can be eliminated exactly, leading us to an effective two-particle system, which has the same spectral properties as the original one. Subsequently, Jensen's inequality is applied to obtain an upper bound on the ground-state energy. The main intention of this paper is to analyze the influence of the quantum-well-induced localization of the exciton on its ground-state energy (or its binding energy, respectively). To do so, we neglect any mismatch of the masses or the dielectric constants, but admit an arbitrary strength of the confinement potentials. Our approach allows for a smooth interpolation of the ultimate limits of vanishing and infinite confinement, corresponding to the cases of a free three-dimensional and a free two-dimensional exciton-phonon system. The interpolation formula for the ground-state energy bound corresponds to similar formulas for the free polaron or the free exciton-phonon system. These bounds in turn are known to compare favorably with all previous ones, which we are aware of.

  14. Energy distribution in selected fragment vibrations in dissociation processes in polyatomic molecules

    International Nuclear Information System (INIS)

    Band, Y.B.; Freed, K.F.

    1977-01-01

    The full quantum theory of dissociation processes in polyatomic molecules is converted to a form enabling the isolation of a selected fragment vibration. This form enables the easy evaluation of the probability distribution for energy partitioning between this vibration and all other degrees of freedom that results from the sudden Franck--Condon rearrangement process. The resultant Franck--Condon factors involve the square of the one-dimensional overlap integral between effective oscillator wavefunctions and the wavefunctions for the selected fragment vibration, a form that resembles the simple golden rule model for polyatomic dissociation and reaction processes. The full quantum theory can, therefore, be viewed as providing both a rigorous justification for certain generic aspects of the simple golden rule model as well as providing a number of important generalizations thereof. Some of these involve dealing with initial bound state vibrational excitation, explicit molecule, fragment and energy dependence of the effective oscillator, and the incorporation of all isotopic dependence. In certain limiting situations the full quantum theory yields simple, readily usable analytic expressions for the frequency and equilibrium position of the effective oscillator. Specific applications are presented for the direct photodissociation of HCN, DCN, and CO 2 where comparisons between the full theory and the simple golden rule are presented. We also discuss the generalizations of the previous theory to enable the incorporation of effects of distortion in the normal modes as a function of the reaction coordinate on the repulsive potential energy surface

  15. Superfluid Kubo formulas from partition function

    International Nuclear Information System (INIS)

    Chapman, Shira; Hoyos, Carlos; Oz, Yaron

    2014-01-01

    Linear response theory relates hydrodynamic transport coefficients to equilibrium retarded correlation functions of the stress-energy tensor and global symmetry currents in terms of Kubo formulas. Some of these transport coefficients are non-dissipative and affect the fluid dynamics at equilibrium. We present an algebraic framework for deriving Kubo formulas for such thermal transport coefficients by using the equilibrium partition function. We use the framework to derive Kubo formulas for all such transport coefficients of superfluids, as well as to rederive Kubo formulas for various normal fluid systems

  16. Direct Measurements of Quantum Kinetic Energy Tensor in Stable and Metastable Water near the Triple Point: An Experimental Benchmark.

    Science.gov (United States)

    Andreani, Carla; Romanelli, Giovanni; Senesi, Roberto

    2016-06-16

    This study presents the first direct and quantitative measurement of the nuclear momentum distribution anisotropy and the quantum kinetic energy tensor in stable and metastable (supercooled) water near its triple point, using deep inelastic neutron scattering (DINS). From the experimental spectra, accurate line shapes of the hydrogen momentum distributions are derived using an anisotropic Gaussian and a model-independent framework. The experimental results, benchmarked with those obtained for the solid phase, provide the state of the art directional values of the hydrogen mean kinetic energy in metastable water. The determinations of the direction kinetic energies in the supercooled phase, provide accurate and quantitative measurements of these dynamical observables in metastable and stable phases, that is, key insight in the physical mechanisms of the hydrogen quantum state in both disordered and polycrystalline systems. The remarkable findings of this study establish novel insight into further expand the capacity and accuracy of DINS investigations of the nuclear quantum effects in water and represent reference experimental values for theoretical investigations.

  17. 1/J2 corrections to BMN energies from the quantum long range Landau-Lifshitz model

    International Nuclear Information System (INIS)

    Minahan, Joseph A.; Tirziu, Alin; Tseytlin, Arkady A.

    2005-01-01

    In a previous paper [hep-th/0509071], it was shown that quantum 1/J corrections to the BMN spectrum in an effective Landau-Lifshitz (LL) model match with the results from the one-loop gauge theory, provided one chooses an appropriate regularization. In this paper we continue this study for the conjectured Bethe ansatz for the long range spin chain representing perturbative large-N N = 4 Super Yang-Mills in the SU(2) sector, and the 'quantum string' Bethe ansatz for its string dual. The comparison is carried out for corrections to BMN energies up to order λ-tilde 3 in the effective expansion parameter λ-tilde = λ/J 2 . After determining the 'gauge-theory' LL action to order λ-tilde 3 , which is accomplished indirectly by fixing the coefficients in the LL action so that the energies of circular strings match with the energies found using the Bethe ansatz, we find perfect agreement. We interpret this as further support for an underlying integrability of the system. We then consider the 'string-theory' LL action which is a limit of the classical string action representing fast string motion on an S 3 subspace of S 5 and compare the resulting λ-tilde 3 /J 2 corrections to the prediction of the 'string' Bethe ansatz. As in the gauge case, we find precise matching. This indicates that the LL hamiltonian supplemented with a normal ordering prescription and ζ-function regularization reproduces the full superstring result for the 1/J 2 corrections, and also signifies that the string Bethe ansatz does describe the quantum BMN string spectrum to order 1/J 2 . We also comment on using the quantum LL approach to determine the non-analytic contributions in λ that are behind the strong to weak coupling interpolation between the string and gauge results

  18. On quantum chaos, stochastic webs and localization in a quantum mechanical kick system

    International Nuclear Information System (INIS)

    Engel, U.M.

    2007-01-01

    In this study quantum chaos is discussed using the kicked harmonic oscillator as a model system. The kicked harmonic oscillator is characterized by an exceptional scenario of weak chaos: In the case of resonance between the frequency of the harmonic oscillator and the frequency of the periodic forcing, stochastic webs in phase space are generated by the classical dynamics. For the quantum dynamics of this system it is shown that the resulting Husimi distributions in quantum phase space exhibit the same web-like structures as the classical webs. The quantum dynamics is characterized by diffusive energy growth - just as the classical dynamics in the channels of the webs. In the case of nonresonance, the classically diffusive dynamics is found to be quantum mechanically suppressed. This bounded energy growth, which corresponds to localization in quantum phase space, is explained analytically by mapping the system onto the Anderson model. In this way, within the context of quantum chaos, the kicked harmonic oscillator is characterized by exhibiting its noteworthy geometrical and dynamical properties both classically and quantum mechanically, while at the same time there are also very distinct quantum deviations from classical properties, the most prominent example being quantum localization. (orig.)

  19. Sonoluminescence Explained by the Standpoint of Coherent Quantum Vacuum Dynamics and its Prospects for Energy Production

    Science.gov (United States)

    Maxmilian Caligiuri, Luigi; Musha, Takaaki

    Sonoluminescence, or its more frequently studied version known as Single Bubble Sonoluminescence, consisting in the emission of light by a collapsing bubble in water under ultrasounds, represents one of the most challenging and interesting phenomenon in theoretical physics. In fact, despite its relatively easy reproducibility in a simple laboratory, its understanding within the commonly accepted picture of condensed matter remained so far unsatisfactory. On the other hand, the possibility to control the physical process involved in sonoluminescence, representing a sort of nuclear fusion on small scale, could open unthinkable prospects of free energy production from water. Different explanations has been proposed during the past years considering, in various way, the photoemission to be related to electromagnetic Zero Point Field energy dynamics, by considering the bubble surface as a Casimir force boundary. More recently a model invoking Cherenkov radiation emission from superluminal photons generated in quantum vacuum has been successfully proposed. In this paper it will be shown that the same results can be more generally explained and quantitative obtained within a QED coherent dynamics of quantum vacuum, according to which the electromagnetic energy of the emitted photons would be related to the latent heat involved in the phase transition from water's vapor to liquid phase during the bubble collapse. The proposed approach could also suggest an explanation of a possible mechanism of generation of faster than light (FTL) photons required to start Cherenkov radiation as well as possible applications to energy production from quantum vacuum.

  20. Interband emission energy in a dilute nitride quaternary semiconductor quantum dot for longer wavelength applications

    Science.gov (United States)

    Mageshwari, P. Uma; Peter, A. John; Lee, Chang Woo; Duque, C. A.

    2016-07-01

    Excitonic properties are studied in a strained Ga1-xInxNyAs1-y/GaAs cylindrical quantum dot. The optimum condition for the desired band alignment for emitting wavelength 1.55 μm is investigated using band anticrossing model and the model solid theory. The band gap and the band discontinuities of a Ga1-xInxNyAs1-y/GaAs quantum dot on GaAs are computed with the geometrical confinement effect. The binding energy of the exciton, the oscillator strength and its radiative life time for the optimum condition are found taking into account the spatial confinement effect. The effects of geometrical confinement and the nitrogen incorporation on the interband emission energy are brought out. The result shows that the desired band alignment for emitting wavelength 1.55 μm is achieved for the inclusion of alloy contents, y=0.0554% and x=0.339% in Ga1-xInxNyAs1-y/GaAs quantum dot. And the incorporation of nitrogen and indium shows the red-shift and the geometrical confinement shows the blue-shift. And it can be applied for fibre optical communication networks.

  1. Hypothalamic AgRP-neurons control peripheral substrate utilization and nutrient partitioning

    Science.gov (United States)

    Joly-Amado, Aurélie; Denis, Raphaël G P; Castel, Julien; Lacombe, Amélie; Cansell, Céline; Rouch, Claude; Kassis, Nadim; Dairou, Julien; Cani, Patrice D; Ventura-Clapier, Renée; Prola, Alexandre; Flamment, Melissa; Foufelle, Fabienne; Magnan, Christophe; Luquet, Serge

    2012-01-01

    Obesity-related diseases such as diabetes and dyslipidemia result from metabolic alterations including the defective conversion, storage and utilization of nutrients, but the central mechanisms that regulate this process of nutrient partitioning remain elusive. As positive regulators of feeding behaviour, agouti-related protein (AgRP) producing neurons are indispensible for the hypothalamic integration of energy balance. Here, we demonstrate a role for AgRP-neurons in the control of nutrient partitioning. We report that ablation of AgRP-neurons leads to a change in autonomic output onto liver, muscle and pancreas affecting the relative balance between lipids and carbohydrates metabolism. As a consequence, mice lacking AgRP-neurons become obese and hyperinsulinemic on regular chow but display reduced body weight gain and paradoxical improvement in glucose tolerance on high-fat diet. These results provide a direct demonstration of a role for AgRP-neurons in the coordination of efferent organ activity and nutrient partitioning, providing a mechanistic link between obesity and obesity-related disorders. PMID:22990237

  2. Partitioning and transmutation: Radioactive waste management option

    International Nuclear Information System (INIS)

    Stanculescu, A.

    2005-01-01

    Growing world population with increasing energy needs, especially in the developing countries, Threat of global warming due to CO 2 emissions demands non-fossil electricity production. Nuclear will have to be part of a sustainable mix of energy production options Figures show that 350 GWe worldwide capacity is 'nuclear'. Present worldwide spent fuel (containing high Pu inventory) and HLW would need large repositories. In view of the previous facts this lecture deals Partitioning and transmutation as radioactive waste management option. Partitioning and transmutation (P and T) is a complex technology i.e. advanced reprocessing, and demand transuranics fuel fabrication plants, as well as innovative and/or dedicated transmutation reactors. In addition to U, Pu, and 129 I, 'partitioning' extracts from the liquid high level waste the minor actinides (MA) and the long-lived fission products (LLFP) 99-Tc, 93-Zr, 135-Cs, 107-Pd, and 79-Se). 'Transmutation' requires fully new fuel fabrication plants and reactor technologies to be developed and implemented on industrial scale. Present LWRs are not suited for MA and LLFP transmutation (safety consideration, plant operation, poor incineration capability). Only specially licensed LWRs can cope with MOX fuel; for increased Pu loadings (up to 100%), special reactor designs (e.g., ABB80+) are required; a combination of these reactor types could allow Pu inventory stabilization. Long-term waste radiotoxicity can be effectively reduced only if transuranics are 'incinerated' through fission with very hard neutron spectra. New reactor concepts (dedicated fast reactors, Accelerator Driven Systems (ADS), fusion/fission hybrid reactors) have been proposed as transmuters/incinerators. Significant Pu+MAs incineration rates can be achieved in symbiotic scenarios: LWR-MOX and dedicated fast reactors; fast neutron spectrum ADS mainly for MA incineration; very high thermal flux ADS concepts could also provide a significant transuranics

  3. Electromagnetic pulse compression and energy localization in quantum plasmas

    International Nuclear Information System (INIS)

    Hefferon, Gareth; Sharma, Ashutosh; Kourakis, Ioannis

    2010-01-01

    The evolution of the intensity of a relativistic laser beam propagating through a dense quantum plasma is investigated, by considering different plasma regimes. A cold quantum fluid plasma and then a thermal quantum description(s) is (are) adopted, in comparison with the classical case of reference. Considering a Gaussian beam cross-section, we investigate both the longitudinal compression and lateral/longitudinal localization of the intensity of a finite-radius electromagnetic pulse. By employing a quantum plasma fluid model in combination with Maxwell's equations, we rely on earlier results on the quantum dielectric response, to model beam-plasma interaction. We present an extensive parametric investigation of the dependence of the longitudinal pulse compression mechanism on the electron density in cold quantum plasmas, and also study the role of the Fermi temperature in thermal quantum plasmas. Our numerical results show pulse localization through a series of successive compression cycles, as the pulse propagates through the plasma. A pulse of 100 fs propagating through cold quantum plasma is compressed to a temporal size of ∼1.35 attosecond and a spatial size of ∼1.08.10 -3 cm. Incorporating Fermi pressure via a thermal quantum plasma model is shown to enhance localization effects. A 100 fs pulse propagating through quantum plasma with a Fermi temperature of 350 K is compressed to a temporal size of ∼0.6 attosecond and a spatial size of ∼2.4.10 -3 cm.

  4. Development of partitioning method : cold experiment with partitioning test facility in NUCEF (I)

    International Nuclear Information System (INIS)

    Yamaguchi, Isoo; Morita, Yasuji; Kondo, Yasuo

    1996-03-01

    A test facility in which about 1.85 x 10 14 Bq of high-level liquid waste can be treated has been completed in 1994 at Nuclear Fuel Cycle Safety Engineering Research Facility (NUCEF) for research and development of Partitioning Method. The outline of the partitioning test facility and support equipments for it which were design terms, constructions, arrangements, functions and inspections were given in JAERI-Tech 94-030. The present report describes the results of the water transfer test and partitioning tests, which are methods of precipitation by denitration, oxalate precipitation, solvent extraction, and adsorption with inorganic ion exchanger, using nitric acid to master operation method of the test facility. As often as issues related to equipments occurred during the tests, they were improved. As to issues related to processes such as being stopped up of columns, their measures of solution were found by testing in laboratories. They were reflected in operation of the Partitioning Test Facility. Their particulars and improving points were described in this report. (author)

  5. ‘Momentum rejuvenation’ underlies the phenomenon of noise-assisted quantum energy flow

    International Nuclear Information System (INIS)

    Li, Ying; Gauger, Erik; Benjamin, Simon C; Caruso, Filippo

    2015-01-01

    An important challenge in quantum science is to fully understand the efficiency of energy flow in networks. Here we present a simple and intuitive explanation for the intriguing observation that optimally efficient networks are not purely quantum, but are assisted by some interaction with a ‘noisy’ classical environment. By considering the system's dynamics in both the site-basis and the momentum-basis, we show that the effect of classical noise is to sustain a broad momentum distribution, countering the depletion of high mobility terms which occurs as energy exits from the network. This picture suggests that the optimal level of classical noise is reciprocally related to the linear dimension of the lattice; our numerical simulations verify this prediction to high accuracy for regular 1D and 2D networks over a range of sizes up to thousands of sites. This insight leads to the discovery that dramatic further improvements in performance occur when a driving field targets noise at the low mobility components. The simulation code which we wrote for this study has been made openly available at figshare 4 . (paper)

  6. Measurability of quantum fields and the energy-time uncertainty relation

    International Nuclear Information System (INIS)

    Mensky, Mikhail B

    2011-01-01

    Quantum restrictions on the measurability of an electromagnetic field strength and their relevance to the energy-time uncertainty relation are considered. The minimum errors in measuring electromagnetic field strengths, as they were estimated by the author (1988) in the framework of the phenomenological method of restricted path integral (RPI), are compared with the analogous estimates found by Landau and Peierls (1931) and by Bohr and Rosenfeld (1933) with the help of certain measurement setups. RPI-based restrictions, including those of Landau and Peierls as a special case, hold for any measuring schemes meeting the strict definition of measurement. Their fundamental nature is confirmed by the fact that their associated field detectability condition has the form of the energy-time uncertainty relation. The weaker restrictions suggested by Bohr and Rosenfeld rely on an extended definition of measurement. The energy-time uncertainty relation, which is the condition for the electromagnetic field to be detectable, is applied to the analysis of how the near-field scanning microscope works. (methodological notes)

  7. Purification of biomaterials by phase partitioning

    Science.gov (United States)

    Harris, J. M.

    1984-01-01

    A technique which is particularly suited to microgravity environments and which is potentially more powerful than electrophoresis is phase partitioning. Phase partitioning is purification by partitioning between the two immiscible aqueous layers formed by solution of the polymers poly(ethylene glycol) and dextran in water. This technique proved to be very useful for separations in one-g but is limited for cells because the cells are more dense than the phase solutions thus tend to sediment to the bottom of the container before reaching equilibrium with the preferred phase. There are three phases to work in this area: synthesis of new polymers for affinity phase partitioning; development of automated apparatus for ground-based separations; and design of apparatus for performing simple phase partitioning space experiments, including examination of mechanisms for separating phases in the absence of gravity.

  8. Quantum Theory of Conducting Matter Superconductivity and Quantum Hall Effect

    CERN Document Server

    Fujita, Shigeji; Godoy, Salvador

    2009-01-01

    Explains major superconducting properties including zero resistance, Meissner effect, sharp phase change, flux quantization, excitation energy gap, and Josephson effects using quantum statistical mechanical calculations. This book covers the 2D superconductivity and the quantum Hall effects

  9. Quantum thermodynamics from the nonequilibrium dynamics of open systems: Energy, heat capacity, and the third law.

    Science.gov (United States)

    Hsiang, J-T; Chou, C H; Subaşı, Y; Hu, B L

    2018-01-01

    In a series of papers, we intend to take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations, and the laws of thermodynamics become well defined and viable for quantum many-body systems. We first describe how an open-system nonequilibrium dynamics (ONEq) approach is different from the closed combined system +  environment in a global thermal state (CGTs) setup. Only after the open system equilibrates will it be amenable to conventional thermodynamics descriptions, thus quantum thermodynamics (QTD) comes at the end rather than assumed in the beginning. The linkage between the two comes from the reduced density matrix of ONEq in that stage having the same form as that of the system in the CGTs. We see the open-system approach having the advantage of dealing with nonequilibrium processes as many experiments in the near future will call for. Because it spells out the conditions of QTD's existence, it can also aid us in addressing the basic issues in quantum thermodynamics from first principles in a systematic way. We then study one broad class of open quantum systems where the full nonequilibrium dynamics can be solved exactly, that of the quantum Brownian motion of N strongly coupled harmonic oscillators, interacting strongly with a scalar-field environment. In this paper, we focus on the internal energy, heat capacity, and the third law. We show for this class of physical models, amongst other findings, the extensive property of the internal energy, the positivity of the heat capacity, and the validity of the third law from the perspective of the behavior of the heat capacity toward zero temperature. These conclusions obtained from exact solutions and quantitative analysis clearly disprove claims of negative specific heat in such systems and dispel allegations that in such systems the validity of the third law of thermodynamics relies on quantum entanglement. They are

  10. Injection current dependences of electroluminescence transition energy in InGaN/GaN multiple quantum wells light emitting diodes under pulsed current conditions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Feng; Ikeda, Masao, E-mail: mikeda2013@sinano.ac.cn; Liu, Jianping; Zhang, Shuming [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Key Lab of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Zhou, Kun; Yang, Hui [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Key Lab of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Institute of Semiconductors (CAS), Beijing 100083 (China); Liu, Zongshun [Institute of Semiconductors (CAS), Beijing 100083 (China)

    2015-07-21

    Injection current dependences of electroluminescence transition energy in blue InGaN/GaN multiple quantum wells light emitting diodes (LEDs) with different quantum barrier thicknesses under pulsed current conditions have been analyzed taking into account the related effects including deformation caused by lattice strain, quantum confined Stark effects due to polarization field partly screened by carriers, band gap renormalization, Stokes-like shift due to compositional fluctuations which are supposed to be random alloy fluctuations in the sub-nanometer scale, band filling effect (Burstein-Moss shift), and quantum levels in finite triangular wells. The bandgap renormalization and band filling effect occurring at high concentrations oppose one another, however, the renormalization effect dominates in the concentration range studied, since the band filling effect arising from the filling in the tail states in the valence band of quantum wells is much smaller than the case in the bulk materials. In order to correlate the carrier densities with current densities, the nonradiative recombination rates were deduced experimentally by curve-fitting to the external quantum efficiencies. The transition energies in LEDs both with 15 nm quantum barriers and 5 nm quantum barriers, calculated using full strengths of theoretical macroscopic polarization given by Barnardini and Fiorentini [Phys. Status Solidi B 216, 391 (1999)] are in excellent accordance with experimental results. The LED with 5 nm barriers has been shown to exhibit a higher transition energy and a smaller blue shift than those of LED with 15 nm barriers, which is mainly caused by the smaller internal polarization field in the quantum wells.

  11. Energy Spectra of Vortex Distributions in Two-Dimensional Quantum Turbulence

    Directory of Open Access Journals (Sweden)

    Ashton S. Bradley

    2012-10-01

    Full Text Available We theoretically explore key concepts of two-dimensional turbulence in a homogeneous compressible superfluid described by a dissipative two-dimensional Gross-Pitaeveskii equation. Such a fluid supports quantized vortices that have a size characterized by the healing length ξ. We show that, for the divergence-free portion of the superfluid velocity field, the kinetic-energy spectrum over wave number k may be decomposed into an ultraviolet regime (k≫ξ^{-1} having a universal k^{-3} scaling arising from the vortex core structure, and an infrared regime (k≪ξ^{-1} with a spectrum that arises purely from the configuration of the vortices. The Novikov power-law distribution of intervortex distances with exponent -1/3 for vortices of the same sign of circulation leads to an infrared kinetic-energy spectrum with a Kolmogorov k^{-5/3} power law, which is consistent with the existence of an inertial range. The presence of these k^{-3} and k^{-5/3} power laws, together with the constraint of continuity at the smallest configurational scale k≈ξ^{-1}, allows us to derive a new analytical expression for the Kolmogorov constant that we test against a numerical simulation of a forced homogeneous, compressible, two-dimensional superfluid. The numerical simulation corroborates our analysis of the spectral features of the kinetic-energy distribution, once we introduce the concept of a clustered fraction consisting of the fraction of vortices that have the same sign of circulation as their nearest neighboring vortices. Our analysis presents a new approach to understanding two-dimensional quantum turbulence and interpreting similarities and differences with classical two-dimensional turbulence, and suggests new methods to characterize vortex turbulence in two-dimensional quantum fluids via vortex position and circulation measurements.

  12. Betweenness-based algorithm for a partition scale-free graph

    International Nuclear Information System (INIS)

    Zhang Bai-Da; Wu Jun-Jie; Zhou Jing; Tang Yu-Hua

    2011-01-01

    Many real-world networks are found to be scale-free. However, graph partition technology, as a technology capable of parallel computing, performs poorly when scale-free graphs are provided. The reason for this is that traditional partitioning algorithms are designed for random networks and regular networks, rather than for scale-free networks. Multilevel graph-partitioning algorithms are currently considered to be the state of the art and are used extensively. In this paper, we analyse the reasons why traditional multilevel graph-partitioning algorithms perform poorly and present a new multilevel graph-partitioning paradigm, top down partitioning, which derives its name from the comparison with the traditional bottom—up partitioning. A new multilevel partitioning algorithm, named betweenness-based partitioning algorithm, is also presented as an implementation of top—down partitioning paradigm. An experimental evaluation of seven different real-world scale-free networks shows that the betweenness-based partitioning algorithm significantly outperforms the existing state-of-the-art approaches. (interdisciplinary physics and related areas of science and technology)

  13. Energies and wave functions of an off-centre donor in hemispherical quantum dot: Two-dimensional finite difference approach and ritz variational principle

    Energy Technology Data Exchange (ETDEWEB)

    Nakra Mohajer, Soukaina; El Harouny, El Hassan [Laboratoire de Physique de la Matière Condensée, Département de Physique, Faculté des Sciences, Université Abdelmalek Essaadi, B.P. 2121 M’Hannech II, 93030 Tétouan (Morocco); Ibral, Asmaa [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B. P. 20 El Jadida Principale, El Jadida (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B. P. 20 El Jadida Principale, El Jadida (Morocco); El Khamkhami, Jamal [Laboratoire de Physique de la Matière Condensée, Département de Physique, Faculté des Sciences, Université Abdelmalek Essaadi, B.P. 2121 M’Hannech II, 93030 Tétouan (Morocco); and others

    2016-09-15

    Eigenvalues equation solutions of a hydrogen-like donor impurity, confined in a hemispherical quantum dot deposited on a wetting layer and capped by an insulating matrix, are determined in the framework of the effective mass approximation. Conduction band alignments at interfaces between quantum dot and surrounding materials are described by infinite height barriers. Ground and excited states energies and wave functions are determined analytically and via one-dimensional finite difference approach in case of an on-center donor. Donor impurity is then moved from center to pole of hemispherical quantum dot and eigenvalues equation is solved via Ritz variational principle, using a trial wave function where Coulomb attraction between electron and ionized donor is taken into account, and by two-dimensional finite difference approach. Numerical codes developed enable access to variations of donor total energy, binding energy, Coulomb correlation parameter, spatial extension and radial probability density with respect to hemisphere radius and impurity position inside the quantum dot.

  14. Energies and wave functions of an off-centre donor in hemispherical quantum dot: Two-dimensional finite difference approach and ritz variational principle

    International Nuclear Information System (INIS)

    Nakra Mohajer, Soukaina; El Harouny, El Hassan; Ibral, Asmaa; El Khamkhami, Jamal

    2016-01-01

    Eigenvalues equation solutions of a hydrogen-like donor impurity, confined in a hemispherical quantum dot deposited on a wetting layer and capped by an insulating matrix, are determined in the framework of the effective mass approximation. Conduction band alignments at interfaces between quantum dot and surrounding materials are described by infinite height barriers. Ground and excited states energies and wave functions are determined analytically and via one-dimensional finite difference approach in case of an on-center donor. Donor impurity is then moved from center to pole of hemispherical quantum dot and eigenvalues equation is solved via Ritz variational principle, using a trial wave function where Coulomb attraction between electron and ionized donor is taken into account, and by two-dimensional finite difference approach. Numerical codes developed enable access to variations of donor total energy, binding energy, Coulomb correlation parameter, spatial extension and radial probability density with respect to hemisphere radius and impurity position inside the quantum dot.

  15. Predictions of Quantum Molecular Dynamical Model between incident energy 50 and 1000 MeV/Nucleon

    Directory of Open Access Journals (Sweden)

    Kumar Sanjeev

    2015-01-01

    Full Text Available In the present work, the Quantum Molecular Dynamical (QMD model is summarized as a useful tool for the incident energy range of 50 to 1000 MeV/nucleon in heavy-ion collisions. The model has reproduced the experimental results of various collaborations such as ALADIN, INDRA, PLASTIC BALL and FOPI upto a high level of accuracy for the phenomena like multifragmentation, collective flow as well as elliptical flow in the above prescribed energy range. The efforts are further in the direction to predict the symmetry energy in the wide incident energy range.

  16. Evaluation of binding energies by using quantum mechanical methods

    International Nuclear Information System (INIS)

    Postolache, Cristian; Matei, Lidia; Postolache, Carmen

    2002-01-01

    Evaluation of binding energies (BE) in molecular structure is needed for modelling chemical and radiochemical processes by quantum-chemical methods. An important field of application is evaluation of radiolysis and autoradiolysis stability of organic and inorganic compounds as well as macromolecular structures. The current methods of calculation do not allow direct determination of BE but only of total binding energies (TBE) and enthalpies. BEs were evaluated indirectly by determining the homolytic dissociation energies. The molecular structures were built and geometrically optimized by the molecular mechanics methods MM+ and AMBER. The energy minimizations were refined by semi-empirical methods. Depending on the chosen molecular structure, the CNDO, INDO, PM3 and AM1 methods were used. To reach a high confidence level the minimizations were done for gradients lower than 10 -3 RMS. The energy values obtained by the difference of the fragment TBLs, of the transition states and initial molecular structures, respectively, were associated to the hemolytic fragmentation energy and BE, respectively. In order to evaluate the method's accuracy and to establish the application fields of the evaluation methods, the obtained values of BEs were compared with the experimental data taken from literature. To this goal there were built, geometrically optimized by semi-empirical methods and evaluated the BEs for 74 organic and inorganic compounds (alkanes, alkene, alkynes, halogenated derivatives, alcohols, aldehydes, ketones, carboxylic acids, nitrogen and sulfur compounds, water, hydrogen peroxide, ammonia, hydrazine, etc. (authors)

  17. Quantum Computation by Optically Coupled Steady Atoms/Quantum-Dots Inside a Quantum Cavity

    Science.gov (United States)

    Pradhan, P.; Wang, K. L.; Roychowdhury, V. P.; Anantram, M. P.; Mor, T.; Saini, Subhash (Technical Monitor)

    1999-01-01

    We present a model for quantum computation using $n$ steady 3-level atoms kept inside a quantum cavity, or using $n$ quantum-dots (QDs) kept inside a quantum cavity. In this model one external laser is pointed towards all the atoms/QDs, and $n$ pairs of electrodes are addressing the atoms/QDs, so that each atom is addressed by one pair. The energy levels of each atom/QD are controlled by an external Stark field given to the atom/QD by its external pair of electrodes. Transition between two energy levels of an individual atom/ QD are controlled by the voltage on its electrodes, and by the external laser. Interactions between two atoms/ QDs are performed with the additional help of the cavity mode (using on-resonance condition). Laser frequency, cavity frequency, and energy levels are far off-resonance most of the time, and they are brought to the resonance (using the Stark effect) only at the time of operations. Steps for a controlled-NOT gate between any two atoms/QDs have been described for this model. Our model demands some challenging technological efforts, such as manufacturing single-electron QDs inside a cavity. However, it promises big advantages over other existing models which are currently implemented, and might enable a much easier scale-up, to compute with many more qubits.

  18. Holographic Bound in Quantum Field Energy Density and Cosmological Constant

    OpenAIRE

    Castorina, Paolo

    2012-01-01

    The cosmological constant problem is reanalyzed by imposing the limitation of the number of degrees of freedom (d.o.f.) due to entropy bounds directly in the calculation of the energy density of a field theory. It is shown that if a quantum field theory has to be consistent with gravity and holography, i.e. with an upper limit of storing information in a given area, the ultraviolet momentum cut-off is not the Planck mass, M_p, as naively expected, but M_p/N_U^(1/4) where N_U is the number of ...

  19. Linear-scaling evaluation of the local energy in quantum Monte Carlo

    International Nuclear Information System (INIS)

    Austin, Brian; Aspuru-Guzik, Alan; Salomon-Ferrer, Romelia; Lester, William A. Jr.

    2006-01-01

    For atomic and molecular quantum Monte Carlo calculations, most of the computational effort is spent in the evaluation of the local energy. We describe a scheme for reducing the computational cost of the evaluation of the Slater determinants and correlation function for the correlated molecular orbital (CMO) ansatz. A sparse representation of the Slater determinants makes possible efficient evaluation of molecular orbitals. A modification to the scaled distance function facilitates a linear scaling implementation of the Schmidt-Moskowitz-Boys-Handy (SMBH) correlation function that preserves the efficient matrix multiplication structure of the SMBH function. For the evaluation of the local energy, these two methods lead to asymptotic linear scaling with respect to the molecule size

  20. Force-Field Functor Theory: Classical Force-Fields which Reproduce Equilibrium Quantum Distributions

    Directory of Open Access Journals (Sweden)

    Ryan eBabbush

    2013-10-01

    Full Text Available Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory.