Measurement of the Spin Relaxation Lifetime (T 1) in a One-Electron Strained-Si Accumulation-Mode Quantum Dot

NASA Astrophysics Data System (ADS)

Croke, Edward; Borselli, Matthew; Kiselev, Andrey; Deelman, Peter; Milosavljevic, Ivan; Alvarado-Rodriguez, Ivan; Ross, Richard; Schmitz, Adele; Gyure, Mark; Hunter, Andrew

2011-03-01

We report measurements of the spin-relaxation lifetime (T1) as a function of magnetic field in a strained-Si, accumulation-mode quantum dot. An integrated quantum-point contact (QPC) charge sensor was used to detect changes in dot occupancy as a function of bias applied to a single gate electrode. The addition spectra we obtained are consistent with theoretical predictions starting at N=0. The conductance of the charge sensor was measured by applying an AC voltage across the QPC and a 3 k Ω resistor. Lifetime measurements were conducted using a three-pulse technique consisting of a load, read, and flush sequence. T1 was measured by observing the decay of the spin bump amplitude as a function of the load pulse length. We measured decay times ranging from approximately 75 msec at 2T to 12 msec at 3T, consistent with previous reports and theoretical predictions. Sponsored by United States Department of Defense. Approved for Public Release, Distribution Unlimited.

AUTOMOTIVE DIESEL MAINTENANCE 2. UNIT XVI, LEARNING ABOUT AC GENERATOR (ALTERNATOR) PRINCIPLES (PART I).

ERIC Educational Resources Information Center

Human Engineering Inst., Cleveland, OH.

THIS MODULE OF A 25-MODULE COURSE IS DESIGNED TO DEVELOP AN UNDERSTANDING OF THE OPERATING PRINCIPLES OF ALTERNATING CURRENT GENERATORS USED ON DIESEL POWERED EQUIPMENT. TOPICS ARE REVIEWING ELECTRICAL FUNDAMENTALS, AND OPERATING PRINCIPLES OF ALTERNATORS. THE MODULE CONSISTS OF A SELF-INSTRUCTIONAL PROGRAMED TRAINING FILM "AC GENERATORS…

Topological quantum pump in serpentine-shaped semiconducting narrow channels

NASA Astrophysics Data System (ADS)

Pandey, Sudhakar; Scopigno, Niccoló; Gentile, Paola; Cuoco, Mario; Ortix, Carmine

2018-06-01

We propose and analyze theoretically a one-dimensional solid-state electronic setup that operates as a topological charge pump in the complete absence of superimposed oscillating local voltages. The system consists of a semiconducting narrow channel with a strong Rashba spin-orbit interaction patterned in a mesoscale serpentine shape. A rotating planar magnetic field serves as the external ac perturbation, and cooperates with the Rashba spin-orbit interaction, which is modulated by the geometric curvature of the electronic channel to realize the topological pumping protocol, originally introduced by Thouless, in a different fashion. We expect the precise pumping of electric charges in our mesoscopic quantum device to be relevant for quantum metrology purposes.

A dry-cooled AC quantum voltmeter

NASA Astrophysics Data System (ADS)

Schubert, M.; Starkloff, M.; Peiselt, K.; Anders, S.; Knipper, R.; Lee, J.; Behr, R.; Palafox, L.; Böck, A. C.; Schaidhammer, L.; Fleischmann, P. M.; Meyer, H.-G.

2016-10-01

The paper describes a dry-cooled AC quantum voltmeter system operated up to kilohertz frequencies and 7 V rms. A 10 V programmable Josephson voltage standard (PJVS) array was installed on a pulse tube cooler (PTC) driven with a 4 kW air-cooled compressor. The operating margins at 70 GHz frequencies were investigated in detail and found to exceed 1 mA Shapiro step width. A key factor for the successful chip operation was the low on-chip power consumption of 65 mW in total. A thermal interface between PJVS chip and PTC cold stage was used to avoid a significant chip overheating. By installing the cryocooled PJVS array into an AC quantum voltmeter setup, several calibration measurements of dc standards and calibrator ac voltages up to 2 kHz frequencies were carried out to demonstrate the full functionality. The results are discussed and compared to systems with standard liquid helium cooling. For dc voltages, a direct comparison measurement between the dry-cooled AC quantum voltmeter and a liquid-helium based 10 V PJVS shows an agreement better than 1 part in 1010.

A self-consistency check for unitary propagation of Hawking quanta

NASA Astrophysics Data System (ADS)

Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng

2017-11-01

The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.

Quantum space and quantum completeness

NASA Astrophysics Data System (ADS)

Jurić, Tajron

2018-05-01

Motivated by the question whether quantum gravity can "smear out" the classical singularity we analyze a certain quantum space and its quantum-mechanical completeness. Classical singularity is understood as a geodesic incompleteness, while quantum completeness requires a unique unitary time evolution for test fields propagating on an underlying background. Here the crucial point is that quantum completeness renders the Hamiltonian (or spatial part of the wave operator) to be essentially self-adjoint in order to generate a unique time evolution. We examine a model of quantum space which consists of a noncommutative BTZ black hole probed by a test scalar field. We show that the quantum gravity (noncommutative) effect is to enlarge the domain of BTZ parameters for which the relevant wave operator is essentially self-adjoint. This means that the corresponding quantum space is quantum complete for a larger range of BTZ parameters rendering the conclusion that in the quantum space one observes the effect of "smearing out" the singularity.

A controlled ac Stark echo for quantum memories.

PubMed

Ham, Byoung S

2017-08-09

A quantum memory protocol of controlled ac Stark echoes (CASE) based on a double rephasing photon echo scheme via controlled Rabi flopping is proposed. The double rephasing scheme of photon echoes inherently satisfies the no-population inversion requirement for quantum memories, but the resultant absorptive echo remains a fundamental problem. Herein, it is reported that the first echo in the double rephasing scheme can be dynamically controlled so that it does not affect the second echo, which is accomplished by using unbalanced ac Stark shifts. Then, the second echo is coherently controlled to be emissive via controlled coherence conversion. Finally a near perfect ultralong CASE is presented using a backward echo scheme. Compared with other methods such as dc Stark echoes, the present protocol is all-optical with advantages of wavelength-selective dynamic control of quantum processing for erasing, buffering, and channel multiplexing.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallego-Marcos, Fernando; Sánchez, Rafael; Platero, Gloria

We analyze long-range transport through an ac driven triple quantum dot with a single electron. Resonant transitions between separated and detuned dots are mediated by the exchange of n photons with the time-dependent field. An effective model is proposed in terms of second order (cotunneling) processes which dominate the long-range transport between the edge quantum dots. The ac field renormalizes the inter dot hopping, modifying the level hybridization. It results in a non-trivial behavior of the current with the frequency and amplitude of the external ac field.

Modeling techniques for quantum cascade lasers

NASA Astrophysics Data System (ADS)

Jirauschek, Christian; Kubis, Tillmann

2014-03-01

Quantum cascade lasers are unipolar semiconductor lasers covering a wide range of the infrared and terahertz spectrum. Lasing action is achieved by using optical intersubband transitions between quantized states in specifically designed multiple-quantum-well heterostructures. A systematic improvement of quantum cascade lasers with respect to operating temperature, efficiency, and spectral range requires detailed modeling of the underlying physical processes in these structures. Moreover, the quantum cascade laser constitutes a versatile model device for the development and improvement of simulation techniques in nano- and optoelectronics. This review provides a comprehensive survey and discussion of the modeling techniques used for the simulation of quantum cascade lasers. The main focus is on the modeling of carrier transport in the nanostructured gain medium, while the simulation of the optical cavity is covered at a more basic level. Specifically, the transfer matrix and finite difference methods for solving the one-dimensional Schrödinger equation and Schrödinger-Poisson system are discussed, providing the quantized states in the multiple-quantum-well active region. The modeling of the optical cavity is covered with a focus on basic waveguide resonator structures. Furthermore, various carrier transport simulation methods are discussed, ranging from basic empirical approaches to advanced self-consistent techniques. The methods include empirical rate equation and related Maxwell-Bloch equation approaches, self-consistent rate equation and ensemble Monte Carlo methods, as well as quantum transport approaches, in particular the density matrix and non-equilibrium Green's function formalism. The derived scattering rates and self-energies are generally valid for n-type devices based on one-dimensional quantum confinement, such as quantum well structures.

Modeling techniques for quantum cascade lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jirauschek, Christian; Kubis, Tillmann

2014-03-15

Quantum cascade lasers are unipolar semiconductor lasers covering a wide range of the infrared and terahertz spectrum. Lasing action is achieved by using optical intersubband transitions between quantized states in specifically designed multiple-quantum-well heterostructures. A systematic improvement of quantum cascade lasers with respect to operating temperature, efficiency, and spectral range requires detailed modeling of the underlying physical processes in these structures. Moreover, the quantum cascade laser constitutes a versatile model device for the development and improvement of simulation techniques in nano- and optoelectronics. This review provides a comprehensive survey and discussion of the modeling techniques used for the simulation ofmore » quantum cascade lasers. The main focus is on the modeling of carrier transport in the nanostructured gain medium, while the simulation of the optical cavity is covered at a more basic level. Specifically, the transfer matrix and finite difference methods for solving the one-dimensional Schrödinger equation and Schrödinger-Poisson system are discussed, providing the quantized states in the multiple-quantum-well active region. The modeling of the optical cavity is covered with a focus on basic waveguide resonator structures. Furthermore, various carrier transport simulation methods are discussed, ranging from basic empirical approaches to advanced self-consistent techniques. The methods include empirical rate equation and related Maxwell-Bloch equation approaches, self-consistent rate equation and ensemble Monte Carlo methods, as well as quantum transport approaches, in particular the density matrix and non-equilibrium Green's function formalism. The derived scattering rates and self-energies are generally valid for n-type devices based on one-dimensional quantum confinement, such as quantum well structures.« less

Quantum paradoxes, entanglement and their explanation on the basis of quantization of fields

NASA Astrophysics Data System (ADS)

Melkikh, A. V.

2017-01-01

Quantum entanglement is discussed as a consequence of the quantization of fields. The inclusion of quantum fields self-consistently explains some quantum paradoxes (EPR and Hardy’s paradox). The definition of entanglement was introduced, which depends on the maximum energy of the interaction of particles. The destruction of entanglement is caused by the creation and annihilation of particles. On this basis, an algorithm for quantum particle evolution was formulated.

The Asymptotic Safety Scenario in Quantum Gravity.

PubMed

Niedermaier, Max; Reuter, Martin

2006-01-01

The asymptotic safety scenario in quantum gravity is reviewed, according to which a renormalizable quantum theory of the gravitational field is feasible which reconciles asymptotically safe couplings with unitarity. The evidence from symmetry truncations and from the truncated flow of the effective average action is presented in detail. A dimensional reduction phenomenon for the residual interactions in the extreme ultraviolet links both results. For practical reasons the background effective action is used as the central object in the quantum theory. In terms of it criteria for a continuum limit are formulated and the notion of a background geometry self-consistently determined by the quantum dynamics is presented. Self-contained appendices provide prerequisites on the background effective action, the effective average action, and their respective renormalization flows.

Spontaneous Self-Organization Enables Dielectrophoresis of Small Nanoparticles and Formation of Photoconductive Microbridges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jung, Seung-Ho; Chen, Chen; Cha, Sang-Ho

Detailed understanding of the mechanism of dielectrophoresis (DEP) and the drastic improvement of its efficiency for small size-quantized nanoparticles (NPs) open the door for the convergence of microscale and nanoscale technologies. It is hindered, however, by the severe reduction of DEP force in particles with volumes below a few hundred cubic nanometers. We report here DEP assembly of size-quantized CdTe nanoparticles (NPs) with a diameter of 4.2 nm under AC voltage of 4–10 V. Calculations of the nominal DEP force for these NPs indicate that it is several orders of magnitude smaller than the force of the Brownian motion destroyingmore » the assemblies even for the maximum applied AC voltage. Despite this, very efficient formation of NP bridges between electrodes separated by a gap of 2 μm was observed even for AC voltages of 6 V and highly diluted NP dispersions. The resolution of this conundrum was found in the intrinsic ability of CdTe NPs to self-assemble. The species being assembled by DEP are substantially bigger than the individual NPs. DEP assembly should be treated as a process taking place for NP chains with a length of ~140 nm. The self-assembled chains increase the nominal volume where the polarization of the particles takes place, while retaining the size-quantized nature of the material. The produced NP bridges were found to be photoactive, producing photocurrent upon illumination. DEP bridges of quantum confined NPs can be used in fast parallel manufacturing of novel MEMS components, sensors, and optical and optoelectronic devices. Purposeful engineering of self-assembling properties of NPs makes possible further facilitation of the DEP and increase of complexity of the produced nano- and microscale structures.« less

Correlation effects in superconducting quantum dot systems

NASA Astrophysics Data System (ADS)

Pokorný, Vladislav; Žonda, Martin

2018-05-01

We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.

De Novo Design and Experimental Characterization of Ultrashort Self-Associating Peptides

PubMed Central

Xue, Bo; Robinson, Robert C.; Hauser, Charlotte A. E.; Floudas, Christodoulos A.

2014-01-01

Self-association is a common phenomenon in biology and one that can have positive and negative impacts, from the construction of the architectural cytoskeleton of cells to the formation of fibrils in amyloid diseases. Understanding the nature and mechanisms of self-association is important for modulating these systems and in creating biologically-inspired materials. Here, we present a two-stage de novo peptide design framework that can generate novel self-associating peptide systems. The first stage uses a simulated multimeric template structure as input into the optimization-based Sequence Selection to generate low potential energy sequences. The second stage is a computational validation procedure that calculates Fold Specificity and/or Approximate Association Affinity (K*association) based on metrics that we have devised for multimeric systems. This framework was applied to the design of self-associating tripeptides using the known self-associating tripeptide, Ac-IVD, as a structural template. Six computationally predicted tripeptides (Ac-LVE, Ac-YYD, Ac-LLE, Ac-YLD, Ac-MYD, Ac-VIE) were chosen for experimental validation in order to illustrate the self-association outcomes predicted by the three metrics. Self-association and electron microscopy studies revealed that Ac-LLE formed bead-like microstructures, Ac-LVE and Ac-YYD formed fibrillar aggregates, Ac-VIE and Ac-MYD formed hydrogels, and Ac-YLD crystallized under ambient conditions. An X-ray crystallographic study was carried out on a single crystal of Ac-YLD, which revealed that each molecule adopts a β-strand conformation that stack together to form parallel β-sheets. As an additional validation of the approach, the hydrogel-forming sequences of Ac-MYD and Ac-VIE were shuffled. The shuffled sequences were computationally predicted to have lower K*association values and were experimentally verified to not form hydrogels. This illustrates the robustness of the framework in predicting self-associating tripeptides. We expect that this enhanced multimeric de novo peptide design framework will find future application in creating novel self-associating peptides based on unnatural amino acids, and inhibitor peptides of detrimental self-aggregating biological proteins. PMID:25010703

Transport across nanogaps using self-consistent boundary conditions

NASA Astrophysics Data System (ADS)

Biswas, D.; Kumar, R.

2012-06-01

Charge particle transport across nanogaps is studied theoretically within the Schrodinger-Poisson mean field framework. The determination of self-consistent boundary conditions across the gap forms the central theme in order to allow for realistic interface potentials (such as metal-vacuum) which are smooth at the boundary and do not abruptly assume a constant value at the interface. It is shown that a semiclassical expansion of the transmitted wavefunction leads to approximate but self consistent boundary conditions without assuming any specific form of the potential beyond the gap. Neglecting the exchange and correlation potentials, the quantum Child-Langmuir law is investigated. It is shown that at zero injection energy, the quantum limiting current density (Jc) is found to obey the local scaling law Jc ~ Vgα/D5-2α with the gap separation D and voltage Vg. The exponent α > 1.1 with α → 3/2 in the classical regime of small de Broglie wavelengths.

General theory for calculating disorder-averaged Green's function correlators within the coherent potential approximation

NASA Astrophysics Data System (ADS)

Zhou, Chenyi; Guo, Hong

2017-01-01

We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.

Influence of scattering processes on electron quantum states in nanowires

PubMed Central

Galenchik, Vadim; Borzdov, Andrei; Borzdov, Vladimir; Komarov, Fadei

2007-01-01

In the framework of quantum perturbation theory the self-consistent method of calculation of electron scattering rates in nanowires with the one-dimensional electron gas in the quantum limit is worked out. The developed method allows both the collisional broadening and the quantum correlations between scattering events to be taken into account. It is an alternativeper seto the Fock approximation for the self-energy approach based on Green’s function formalism. However this approach is free of mathematical difficulties typical to the Fock approximation. Moreover, the developed method is simpler than the Fock approximation from the computational point of view. Using the approximation of stable one-particle quantum states it is proved that the electron scattering processes determine the dependence of electron energy versus its wave vector.

Intersubband Transitions in InAs/AlSb Quantum Wells

NASA Technical Reports Server (NTRS)

Li, J.; Koloklov, K.; Ning, C. Z.; Larraber, D. C.; Khodaparast, G. A.; Kono, J.; Ueda, K.; Nakajima, Y.; Sasa, S.; Inoue, M.

2003-01-01

We have studied intersubband transitions in InAs/AlSb quantum wells experimentally and theoretically. Experimentally, we performed polarization-resolved infrared absorption spectroscopy to measure intersubband absorption peak frequencies and linewidths as functions of temperature (from 4 K to room temperature) and quantum well width (from a few nm to 10 nm). To understand experimental results, we performed a self-consistent 8-band k-p band-structure calculation including spatial charge separation. Based on the calculated band structure, we developed a set of density matrix equations to compute TE and TM optical transitions self-consistently, including both interband and intersubband channels. This density matrix formalism is also ideal for the inclusion of various many-body effects, which are known to be important for intersubband transitions. Detailed comparison between experimental data and theoretical simulations is presented.

Electric dipole spin resonance in a quantum spin dimer system driven by magnetoelectric coupling

NASA Astrophysics Data System (ADS)

Kimura, Shojiro; Matsumoto, Masashige; Akaki, Mitsuru; Hagiwara, Masayuki; Kindo, Koichi; Tanaka, Hidekazu

2018-04-01

In this Rapid Communication, we propose a mechanism for electric dipole active spin resonance caused by spin-dependent electric polarization in a quantum spin gapped system. This proposal was successfully confirmed by high-frequency electron spin resonance (ESR) measurements of the quantum spin dimer system KCuCl3. ESR measurements by an illuminating linearly polarized electromagnetic wave reveal that the optical transition between the singlet and triplet states in KCuCl3 is driven by an ac electric field. The selection rule of the observed transition agrees with the calculation by taking into account spin-dependent electric polarization. We suggest that spin-dependent electric polarization is effective in achieving fast control of quantum spins by an ac electric field.

Self-assembled quantum dots in a liquid-crystal-tunable microdisk resonator

NASA Astrophysics Data System (ADS)

Piegdon, Karoline A.; Offer, Matthias; Lorke, Axel; Urbanski, Martin; Hoischen, Andreas; Kitzerow, Heinz-S.; Declair, Stefan; Förstner, Jens; Meier, Torsten; Reuter, Dirk; Wieck, Andreas D.; Meier, Cedrik

2010-09-01

GaAs-based semiconductor microdisks with high quality whispering gallery modes ( Q>4000) have been fabricated. A layer of self-organized InAs quantum dots (QDs) served as a light source to feed the optical modes at room temperature. In order to achieve frequency tuning of the optical modes, the microdisk devices have been immersed in 4-cyano-4-pentylbiphenyl (5CB), a liquid crystal (LC) with a nematic phase below the clearing temperature of TC≈34C. We have studied the device performance in the temperature range of T=20-50C, in order to investigate the influence of the nematic-isotropic phase transition on the optical modes. Moreover, we have applied an AC electric field to the device, which leads in the nematic phase to a reorientation of the anisotropic dielectric tensor of the liquid crystal. This electrical anisotropy can be used to achieve electrical tunability of the optical modes. Using the finite-difference time domain (FDTD) technique with an anisotropic material model, we are able to describe the influence of the liquid crystal qualitatively.

Manipulating the ABCs of self-assembly via low-χ block polymer design

PubMed Central

Chang, Alice B.; Lee, Byeongdu; Garland, Carol M.; Jones, Simon C.; Matsen, Mark W.

2017-01-01

Block polymer self-assembly typically translates molecular chain connectivity into mesoscale structure by exploiting incompatible blocks with large interaction parameters (χij). In this article, we demonstrate that the converse approach, encoding low-χ interactions in ABC bottlebrush triblock terpolymers (χAC ≲ 0), promotes organization into a unique mixed-domain lamellar morphology, which we designate LAMP. Transmission electron microscopy indicates that LAMP exhibits ACBC domain connectivity, in contrast to conventional three-domain lamellae (LAM3) with ABCB periods. Complementary small-angle X-ray scattering experiments reveal a strongly decreasing domain spacing with increasing total molar mass. Self-consistent field theory reinforces these observations and predicts that LAMP is thermodynamically stable below a critical χAC, above which LAM3 emerges. Both experiments and theory expose close analogies to ABA′ triblock copolymer phase behavior, collectively suggesting that low-χ interactions between chemically similar or distinct blocks intimately influence self-assembly. These conclusions provide fresh opportunities for block polymer design with potential consequences spanning all self-assembling soft materials. PMID:28588139

Multi-electron double quantum dot spin qubits

NASA Astrophysics Data System (ADS)

Nielsen, Erik; Kestner, Jason; Barnes, Edwin; Das Sarma, Sankar

2013-03-01

Double quantum dot (DQD) spin quits in a solid state environment typically consist of two electron spins confined to a DQD potential. We analyze the viability and potential advantages of DQD qubits which use greater then two electrons, and present results for six-electron qubits using full configuration interaction methods. The principal results of this work are that such six electron DQDs can retain an isolated low-energy qubit space that is more robust to charge noise due to screening. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Classical and quantum optical correlation effects between single quantum dots: The role of the hopping photon

NASA Astrophysics Data System (ADS)

Hughes, S.; Gotoh, H.; Kamada, H.

2006-09-01

We present a theoretical study of photon-coupled single quantum dots in a semiconductor. A series of optical effects are demonstrated, including a subradiant dark resonance, superradiance, reversible spontaneous emission decay, and pronounced exciton entanglement. Both classical and quantum optical approaches are presented using a self-consistent formalism that treats real and virtual photon exchange on an equal footing and can account for different quantum dot properties, surface effects, and retardation in the dipole-dipole coupling, all of which are shown to play a non-negligible role.

Quantum correlations and limit cycles in the driven-dissipative Heisenberg lattice

NASA Astrophysics Data System (ADS)

Owen, E. T.; Jin, J.; Rossini, D.; Fazio, R.; Hartmann, M. J.

2018-04-01

Driven-dissipative quantum many-body systems have attracted increasing interest in recent years as they lead to novel classes of quantum many-body phenomena. In particular, mean-field calculations predict limit cycle phases, slow oscillations instead of stationary states, in the long-time limit for a number of driven-dissipative quantum many-body systems. Using a cluster mean-field and a self-consistent Mori projector approach, we explore the persistence of such limit cycles as short range quantum correlations are taken into account in a driven-dissipative Heisenberg model.

Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

PubMed Central

Kreula, J. M.; Clark, S. R.; Jaksch, D.

2016-01-01

We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

On the physical Hilbert space of loop quantum cosmology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noui, Karim; Perez, Alejandro; Vandersloot, Kevin

2005-02-15

In this paper we present a model of Riemannian loop quantum cosmology with a self-adjoint quantum scalar constraint. The physical Hilbert space is constructed using refined algebraic quantization. When matter is included in the form of a cosmological constant, the model is exactly solvable and we show explicitly that the physical Hilbert space is separable, consisting of a single physical state. We extend the model to the Lorentzian sector and discuss important implications for standard loop quantum cosmology.

Quantum phase transition with dissipative frustration

NASA Astrophysics Data System (ADS)

Maile, D.; Andergassen, S.; Belzig, W.; Rastelli, G.

2018-04-01

We study the quantum phase transition of the one-dimensional phase model in the presence of dissipative frustration, provided by an interaction of the system with the environment through two noncommuting operators. Such a model can be realized in Josephson junction chains with shunt resistances and resistances between the chain and the ground. Using a self-consistent harmonic approximation, we determine the phase diagram at zero temperature which exhibits a quantum phase transition between an ordered phase, corresponding to the superconducting state, and a disordered phase, corresponding to the insulating state with localized superconducting charge. Interestingly, we find that the critical line separating the two phases has a nonmonotonic behavior as a function of the dissipative coupling strength. This result is a consequence of the frustration between (i) one dissipative coupling that quenches the quantum phase fluctuations favoring the ordered phase and (ii) one that quenches the quantum momentum (charge) fluctuations leading to a vanishing phase coherence. Moreover, within the self-consistent harmonic approximation, we analyze the dissipation induced crossover between a first and second order phase transition, showing that quantum frustration increases the range in which the phase transition is second order. The nonmonotonic behavior is reflected also in the purity of the system that quantifies the degree of correlation between the system and the environment, and in the logarithmic negativity as an entanglement measure that encodes the internal quantum correlations in the chain.

Tautomeric transition between wobble A·C DNA base mispair and Watson-Crick-like A·C* mismatch: microstructural mechanism and biological significance.

PubMed

Brovarets', Ol'ha O; Hovorun, Dmytro M

2015-06-21

Here, we use MP2/DFT quantum-chemical methods combined with Quantum Theory of Atoms in Molecules to study the tautomeric transition between wobble A·C(w) mismatch and Watson-Crick-like A·C*(WC) base mispair, proceeding non-dissociatively via sequential proton transfer between bases through the planar, highly stable and zwitterionic TS(A∙C-)(A∙C(W)<-->A∙C&(WC)) transition state joined by the participation of (A)N6(+)H∙∙∙N4(-)(C), (A)N1(+)H∙∙∙N4(-)(C) and (A)C2(+)H∙∙∙N3(-)(C) H-bonds. Notably, the A·C(w) ↔ A·C*(WC) tautomerization reaction is accompanied by 10 unique patterns of the specific intermolecular interactions that consistently replace each other. Our data suggest that biologically significant A·C(w) → A·C*(WC) tautomerization is a kinetically controlled pathway for formation of the enzymatically competent Watson-Crick-like A·C*(WC) DNA base mispair in the essentially hydrophobic recognition pocket of the high-fidelity DNA-polymerase, responsible for the occurrence of spontaneous point AC/CA incorporation errors during DNA biosynthesis.

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

PubMed

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.

Positive Illusions? The Accuracy of Academic Self-Appraisals in Adolescents With ADHD.

PubMed

Chan, Todd; Martinussen, Rhonda

2016-08-01

Children with attention deficit/hyperactivity disorder (ADHD) overestimate their academic competencies (AC) relative to performance and informant indicators (i.e., positive illusory bias; PIB). Do adolescents with ADHD exhibit this PIB and does it render self-views inaccurate? We examined the magnitude of the AC-PIB in adolescents with and without ADHD, the predictive accuracy of parent and adolescent AC ratings, and whether executive functions (EF) predict the AC-PIB. Adolescents (49 ADHD; 47 typically developing) completed math and EF tests, and self-rated their AC. Parents rated their adolescents' AC and EF. Adolescents with ADHD performed more poorly on the math task (vs. comparison group) but had a larger AC-PIB relative to parents' ratings. EFs predicted the PIB within the full sample. Adolescents' AC ratings, regardless of ADHD status, were more predictive of math performance than their parents' AC ratings. Adolescents with ADHD appear self-aware in their AC despite a modest PIB; nuanced self-appraisals may depend on EFs. © The Author 2015. Published by Oxford University Press on behalf of the Society of Pediatric Psychology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A novel interface circuit for triboelectric nanogenerator

NASA Astrophysics Data System (ADS)

Yu, Wuqi; Ma, Jiahao; Zhang, Zhaohua; Ren, Tianling

2017-10-01

For most triboelectric nanogenerators (TENGs), the electric output should be a short AC pulse, which has the common characteristic of high voltage but low current. Thus it is necessary to convert the AC to DC and store the electric energy before driving conventional electronics. The traditional AC voltage regulator circuit which commonly consists of transformer, rectifier bridge, filter capacitor, and voltage regulator diode is not suitable for the TENG because the transformer’s consumption of power is appreciable if the TENG output is small. This article describes an innovative design of an interface circuit for a triboelectric nanogenerator that is transformerless and easily integrated. The circuit consists of large-capacity electrolytic capacitors that can realize to intermittently charge lithium-ion batteries and the control section contains the charging chip, the rectifying circuit, a comparator chip and switch chip. More important, the whole interface circuit is completely self-powered and self-controlled. Meanwhile, the chip is widely used in the circuit, so it is convenient to integrate into PCB. In short, this work presents a novel interface circuit for TENGs and makes progress to the practical application and industrialization of nanogenerators. Project supported by the National Natural Science Foundation of China (No. 61434001) and the ‘Thousands Talents’ Program for Pioneer Researchers and Its Innovation Team, China.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ellis, D.E.; Gubanov, V.A.; Rosen, A.

The electronic structure of actinide monoxides AcO and dioxides AcO/sub 2/, where Ac = Th, U, Np, Pu, Am, Cm and Bk has been studied by molecular cluster methods based on the first-principles one-electron local density theory. Molecular orbitals for nearest neighbor clusters AcO/sup 10 -//sub 6/ and AcO/sup 12 -//sub 8/ representative of monoxide and dioxide lattices were obtained using non-relativistic spin-restricted and spin-polarized Hartree-Fock-Slater models for the entire series. Fully relativistic Dirac-Slater calculations were performed for ThO, UO and NpO in order to explore magnitude of spin-orbit splittings and level shifts in valence structure. Self-consistent iterations were carriedmore » out for NpO, in which the NpO/sub 6/ cluster was embedded in the molecular field of the solid. Finally, a ''moment polarized'' model which combines both spin-polarization and relativistic effects in a consistent fashion was applied to the NpO system. Covalent mixing of oxygen 2p and Ac 5f orbitals was found to increase rapidly across the actinide series; metal s,p,d covalency was found to be nearly constant. Mulliken atomic population analysis of cluster eigenvectors shows that free-ion crystal field models are unreliable, except for the light actinides. X-ray photoelectron line shapes have been calculated and are found to compare rather well with experimental data on the dioxides.« less

Continuous-time quantum Monte Carlo impurity solvers

NASA Astrophysics Data System (ADS)

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

2011-04-01

Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an implementation of dynamical mean-field self-consistency equations for (single orbital single site) dynamical mean-field problems with arbitrary densities of states. Program summaryProgram title: dmft Catalogue identifier: AEIL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: ALPS LIBRARY LICENSE version 1.1 No. of lines in distributed program, including test data, etc.: 899 806 No. of bytes in distributed program, including test data, etc.: 32 153 916 Distribution format: tar.gz Programming language: C++ Operating system: The ALPS libraries have been tested on the following platforms and compilers: Linux with GNU Compiler Collection (g++ version 3.1 and higher), and Intel C++ Compiler (icc version 7.0 and higher) MacOS X with GNU Compiler (g++ Apple-version 3.1, 3.3 and 4.0) IBM AIX with Visual Age C++ (xlC version 6.0) and GNU (g++ version 3.1 and higher) compilers Compaq Tru64 UNIX with Compq C++ Compiler (cxx) SGI IRIX with MIPSpro C++ Compiler (CC) HP-UX with HP C++ Compiler (aCC) Windows with Cygwin or coLinux platforms and GNU Compiler Collection (g++ version 3.1 and higher) RAM: 10 MB-1 GB Classification: 7.3 External routines: ALPS [1], BLAS/LAPACK, HDF5 Nature of problem: (See [2].) Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as 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.

Quantum resource theories in the single-shot regime

NASA Astrophysics Data System (ADS)

Gour, Gilad

2017-06-01

One of the main goals of any resource theory such as entanglement, quantum thermodynamics, quantum coherence, and asymmetry, is to find necessary and sufficient conditions that determine whether one resource can be converted to another by the set of free operations. Here we find such conditions for a large class of quantum resource theories which we call affine resource theories. Affine resource theories include the resource theories of athermality, asymmetry, and coherence, but not entanglement. Remarkably, the necessary and sufficient conditions can be expressed as a family of inequalities between resource monotones (quantifiers) that are given in terms of the conditional min-entropy. The set of free operations is taken to be (1) the maximal set (i.e., consists of all resource nongenerating quantum channels) or (2) the self-dual set of free operations (i.e., consists of all resource nongenerating maps for which the dual map is also resource nongenerating). As an example, we apply our results to quantum thermodynamics with Gibbs preserving operations, and several other affine resource theories. Finally, we discuss the applications of these results to resource theories that are not affine and, along the way, provide the necessary and sufficient conditions that a quantum resource theory consists of a resource destroying map.

AC transport in p-Ge/GeSi quantum well in high magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drichko, I. L.; Malysh, V. A.; Smirnov, I. Yu.

2014-08-20

The contactless surface acoustic wave technique is implemented to probe the high-frequency conductivity of a high-mobility p-Ge/GeSi quantum well structure in the regime of integer quantum Hall effect (IQHE) at temperatures 0.3–5.8 K and magnetic fields up to 18 T. It is shown that, in the IQHE regime at the minima of conductivity, holes are localized and ac conductivity is of hopping nature and can be described within the “two-site” model. The analysis of the temperature and magnetic-field-orientation dependence of the ac conductivity at odd filing factors enables us to determine the effective hole g-factor, |g{sub zz}|≈4.5. It is shownmore » that the in-plane component of the magnetic field leads to a decrease in the g-factor as well as increase in the cyclotron mass, which is explained by orbital effects in the complex valence band of germanium.« less

Reliability and validity of a self-administered tool for online neuropsychological testing: The Amsterdam Cognition Scan.

PubMed

Feenstra, Heleen E M; Murre, Jaap M J; Vermeulen, Ivar E; Kieffer, Jacobien M; Schagen, Sanne B

2018-04-01

To facilitate large-scale assessment of a variety of cognitive abilities in clinical studies, we developed a self-administered online neuropsychological test battery: the Amsterdam Cognition Scan (ACS). The current studies evaluate in a group of adult cancer patients: test-retest reliability of the ACS and the influence of test setting (home or hospital), and the relationship between our online and a traditional test battery (concurrent validity). Test-retest reliability was studied in 96 cancer patients (57 female; M age  = 51.8 years) who completed the ACS twice. Intraclass correlation coefficients (ICCs) were used to assess consistency over time. The test setting was counterbalanced between home and hospital; influence on test performance was assessed by repeated measures analyses of variance. Concurrent validity was studied in 201 cancer patients (112 female; M age  = 53.5 years) who completed both the online and an equivalent traditional neuropsychological test battery. Spearman or Pearson correlations were used to assess consistency between online and traditional tests. ICCs of the online tests ranged from .29 to .76, with an ICC of .78 for the ACS total score. These correlations are generally comparable with the test-retest correlations of the traditional tests as reported in the literature. Correlating online and traditional test scores, we observed medium to large concurrent validity (r/ρ = .42 to .70; total score r = .78), except for a visuospatial memory test (ρ = .36). Correlations were affected-as expected-by design differences between online tests and their offline counterparts. Although development and optimization of the ACS is an ongoing process, and reliability can be optimized for several tests, our results indicate that it is a highly usable tool to obtain (online) measures of various cognitive abilities. The ACS is expected to facilitate efficient gathering of data on cognitive functioning in the near future.

Macroscopic kinematics of the Hall electric field under influence of carrier magnetic moments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sakai, Masamichi, E-mail: sakai@fms.saitama-u.ac.jp

2016-06-15

The relativistic effect on electromagnetic forces yields two types of forces which depend on the velocity of the relevant particles: (i) the usual Lorentz force exerted on a moving charged particle and (ii) the apparent Lorentz force exerted on a moving magnetic moment. In sharp contrast with type (i), the type (ii) force originates due to the transverse field induced by the Hall effect (HE). This study incorporates both forces into a Drude-type equation with a fully spin-polarized condition to investigate the effects of self-consistency of the source and the resultant fields on the HE. We also examine the self-consistencymore » of the carrier kinematics and electromagnetic dynamics by simultaneously considering the Drude type equation and Maxwell equations at low frequencies. Thus, our approach can predict both the dc and ac characteristics of the HE, demonstrating that the dc current condition solely yields the ordinary HE, while the ac current condition yields generation of both fundamental and second harmonic modes of the HE field. When the magnetostatic field is absent, the simultaneous presence of dc and ac longitudinal currents generates the ac HE that has both fundamental frequency and second harmonic.« less

Energy states, transport, and magnetotransport in diluted magnetic semiconductor (Ga, Mn)As with quantum well InGaAs.

PubMed

Shchurova, L Yu; Kulbachinskii, V A

2011-03-01

We investigate energy levels, thermodynamic, transport and magnetotransport properties of holes in GaAs structure with quantum well InGaAs delta-doped by C and Mn. We present self-consistent calculations for energy levels in the quantum well for different degrees of ionization of Mn impurity. The magnetoresistance of holes in the quantum well is calculated. We explain observed negative magnetoresistance by the reduction of spin-flip scattering on magnetic ions due to aligning of spins with magnetic field.

Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions.

PubMed

Gamboa-Carballo, Juan José; Melchor-Rodríguez, Kenia; Hernández-Valdés, Daniel; Enriquez-Victorero, Carlos; Montero-Alejo, Ana Lilian; Gaspard, Sarra; Jáuregui-Haza, Ulises Javier

2016-04-01

Activated carbons (ACs) are widely used in the purification of drinking water without almost any knowledge about the adsorption mechanisms of the persistent organic pollutants. Chlordecone (CLD, Kepone) is an organochlorinated synthetic compound that has been used mainly as agricultural insecticide. CLD has been identified and listed as a persistent organic pollutant by the Stockholm Convention. The selection of the best suited AC for this type of contaminants is mainly an empirical and costly process. A theoretical study of the influence of AC surface groups (SGs) on CLD adsorption is done in order to help understanding the process. This may provide a first selection criteria for the preparation of AC with suitable surface properties. A model of AC consisting of a seven membered ring graphene sheet (coronene) with a functional group on the edge was used to evaluate the influence of the SGs over the adsorption. Multiple Minima Hypersurface methodology (MMH) coupled with PM7 semiempirical Hamiltonian was employed in order to study the interactions of the chlordecone with SGs (hydroxyl and carboxyl) at acidic and neutral pH and different hydration conditions. Selected structures were re-optimized using CAM-B3LYP to achieve a well-defined electron density to characterize the interactions by the Quantum Theory of Atoms in Molecules approach. The deprotonated form of surface carboxyl and hydroxyl groups of AC models show the strongest interactions, suggesting a chemical adsorption. An increase in carboxylic SGs content is proposed to enhance CLD adsorption onto AC at neutral pH conditions. Copyright © 2016 Elsevier Inc. All rights reserved.

Manipulating the ABCs of self-assembly via low-χ block polymer design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Alice B.; Bates, Christopher M.; Lee, Byeongdu

Block polymer self-assembly typically translates molecular chain connectivity into mesoscale structure by exploiting incompatible blocks with large interaction parameters (χ ij). In this report, we demonstrate that the converse approach, encoding low-χ interactions in ABC bottlebrush triblock terpolymers (χ AC ≲ 0), promotes organization into a unique mixed-domain lamellar morphology which we designate LAM P. Transmission electron microscopy indicates that LAMP exhibits ACBC domain connectivity, in contrast to conventional three-domain lamellae (LAM 3) with ABCB periods. Complementary small angle X-ray scattering experiments reveal a strongly decreasing domain spacing with increasing total molar mass. Self-consistent field theory reinforces these observations andmore » predicts that LAM P is thermodynamically stable below a critical χ AC, above which LAM 3 emerges. Both experiments and theory expose close analogies to ABA triblock copolymer phase behavior, collectively suggesting that low-χ interactions between chemically similar or distinct blocks intimately influence self-assembly. Furthermore, these conclusions provide new opportunities in block polymer design with potential consequences spanning all self-assembling soft materials.« less

Manipulating the ABCs of self-assembly via low-χ block polymer design

DOE PAGES

Chang, Alice B.; Bates, Christopher M.; Lee, Byeongdu; ...

2017-06-06

Block polymer self-assembly typically translates molecular chain connectivity into mesoscale structure by exploiting incompatible blocks with large interaction parameters (χ ij). In this report, we demonstrate that the converse approach, encoding low-χ interactions in ABC bottlebrush triblock terpolymers (χ AC ≲ 0), promotes organization into a unique mixed-domain lamellar morphology which we designate LAM P. Transmission electron microscopy indicates that LAMP exhibits ACBC domain connectivity, in contrast to conventional three-domain lamellae (LAM 3) with ABCB periods. Complementary small angle X-ray scattering experiments reveal a strongly decreasing domain spacing with increasing total molar mass. Self-consistent field theory reinforces these observations andmore » predicts that LAM P is thermodynamically stable below a critical χ AC, above which LAM 3 emerges. Both experiments and theory expose close analogies to ABA triblock copolymer phase behavior, collectively suggesting that low-χ interactions between chemically similar or distinct blocks intimately influence self-assembly. Furthermore, these conclusions provide new opportunities in block polymer design with potential consequences spanning all self-assembling soft materials.« less

Stoichiometry control in quantum dots: a viable analog to impurity doping of bulk materials.

PubMed

Luther, Joseph M; Pietryga, Jeffrey M

2013-03-26

A growing body of research indicates that the stoichiometry of compound semiconductor quantum dots (QDs) may offer control over the materials' optoelectronic properties in ways that could be invaluable in electronic devices. Quantum dots have been characterized as having a stoichiometric bulk-like core with a highly reconstructed surface of a more flexible composition, consisting essentially of ligated, weakly bound ions. As such, many efforts toward stoichiometry-based control over material properties have focused on ligand manipulation. In this issue of ACS Nano, Murray and Kagan's groups instead demonstrate control of the conductive properties of QD arrays by altering the stoichiometry via atomic infusion using a thermal evaporation technique. In this work, PbSe and PbS QD films are made to show controlled n- or p-type behavior, which is key to developing optimized QD-based electronics. In this Perspective, we discuss recent developments and the future outlook in using stoichiometry as a tool to further manipulate QD material properties in this context.

AC conductivity of a quantum Hall line junction

NASA Astrophysics Data System (ADS)

Agarwal, Amit; Sen, Diptiman

2009-09-01

We present a microscopic model for calculating the AC conductivity of a finite length line junction made up of two counter- or co-propagating single mode quantum Hall edges with possibly different filling fractions. The effect of density-density interactions and a local tunneling conductance (σ) between the two edges is considered. Assuming that σ is independent of the frequency ω, we derive expressions for the AC conductivity as a function of ω, the length of the line junction and other parameters of the system. We reproduce the results of Sen and Agarwal (2008 Phys. Rev. B 78 085430) in the DC limit (\\omega \\to 0 ), and generalize those results for an interacting system. As a function of ω, the AC conductivity shows significant oscillations if σ is small; the oscillations become less prominent as σ increases. A renormalization group analysis shows that the system may be in a metallic or an insulating phase depending on the strength of the interactions. We discuss the experimental implications of this for the behavior of the AC conductivity at low temperatures.

Modeling of phonon scattering in n-type nanowire transistors using one-shot analytic continuation technique

NASA Astrophysics Data System (ADS)

Bescond, Marc; Li, Changsheng; Mera, Hector; Cavassilas, Nicolas; Lannoo, Michel

2013-10-01

We present a one-shot current-conserving approach to model the influence of electron-phonon scattering in nano-transistors using the non-equilibrium Green's function formalism. The approach is based on the lowest order approximation (LOA) to the current and its simplest analytic continuation (LOA+AC). By means of a scaling argument, we show how both LOA and LOA+AC can be easily obtained from the first iteration of the usual self-consistent Born approximation (SCBA) algorithm. Both LOA and LOA+AC are then applied to model n-type silicon nanowire field-effect-transistors and are compared to SCBA current characteristics. In this system, the LOA fails to describe electron-phonon scattering, mainly because of the interactions with acoustic phonons at the band edges. In contrast, the LOA+AC still well approximates the SCBA current characteristics, thus demonstrating the power of analytic continuation techniques. The limits of validity of LOA+AC are also discussed, and more sophisticated and general analytic continuation techniques are suggested for more demanding cases.

AC Josephson effect without superconductivity, and other effects of radio frequency quantum nanoelectronics

NASA Astrophysics Data System (ADS)

Waintal, Xavier; Gaury, Benoit; Weston, Joseph

With single coherent electron sources and electronic interferometers now available in the lab, the time resolved dynamics of electrons can now be probed directly. I will discuss how a fast raise of voltage propagates inside an electronic interferometer and leads to an oscillating current of well controled frequency. This phenomena is the normal counterpart to the AC josephson effect. I will also briefly advertize our software for computing quantum transport properties, Kwant (http://kwant-project.org) and its time-dependent extension T-Kwant.

Quantum mechanics: The Bayesian theory generalized to the space of Hermitian matrices

NASA Astrophysics Data System (ADS)

Benavoli, Alessio; Facchini, Alessandro; Zaffalon, Marco

2016-10-01

We consider the problem of gambling on a quantum experiment and enforce rational behavior by a few rules. These rules yield, in the classical case, the Bayesian theory of probability via duality theorems. In our quantum setting, they yield the Bayesian theory generalized to the space of Hermitian matrices. This very theory is quantum mechanics: in fact, we derive all its four postulates from the generalized Bayesian theory. This implies that quantum mechanics is self-consistent. It also leads us to reinterpret the main operations in quantum mechanics as probability rules: Bayes' rule (measurement), marginalization (partial tracing), independence (tensor product). To say it with a slogan, we obtain that quantum mechanics is the Bayesian theory in the complex numbers.

Electric and Magnetic Field Measurements in High Energy Electron Beam Diode Plasmas using Optical Spectroscopy

NASA Astrophysics Data System (ADS)

Johnston, Mark; Patel, Sonal; Kiefer, Mark; Biswas, S.; Doron, R.; Stambulchik, E.; Bernshtam, V.; Maron, Yitzhak

2016-10-01

The RITS accelerator (5-11MV, 100-200kA) at Sandia National Laboratories is being used to evaluate the Self-Magnetic Pinch (SMP) diode as a potential flash x-ray radiography source. This diode consists of a small, hollowed metal cathode and a planar, high atomic mass anode, with a small vacuum gap of approximately one centimeter. The electron beam is focused, due to its self-field, to a few millimeters at the target, generating bremsstrahlung x-rays. During this process, plasmas form on the electrode surfaces and propagate into the vacuum gap, with a velocity of a 1-10 cm's/microseconds. These plasmas are measured spectroscopically using a Czerny-Turner spectrometer with a gated, ICCD detector, and input optical fiber array. Local magnetic and electric fields of several Tesla and several MV/cm were measured through Zeeman splitting and Stark shifting of spectral lines. Specific transitions susceptible to quantum magnetic and electric field effects were utilized through the application of dopants. Data was analyzed using detailed, time-dependent, collisional-radiative (CR) and radiation transport modeling. Recent results will be presented. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Children's active commuting to school: an interplay of self-efficacy, social economic disadvantage, and environmental characteristics.

PubMed

Lu, Wenhua; McKyer, E Lisako J; Lee, Chanam; Ory, Marcia G; Goodson, Patricia; Wang, Suojin

2015-02-28

Active commuting to school (ACS) can promote children's physical activity and may help prevent childhood obesity. Previous researchers in various disciplines, e.g., health, urban planning, and transportation, have identified various predictors of ACS. However, little research has been carried out into investigating the effect of self-efficacy on ACS. The purpose of this study is to investigate the roles of children's and parents' self-efficacy in children's ACS, controlling for sociodemographic and objective environmental characteristics. This study is part of the Texas Childhood Obesity Prevention Policy Evaluation (T-COPPE) project, which includes data from 857 parent/child pairs from 74 schools who lived within two miles of school in Texas. Measures included children's usual modes of commuting to school, participants' sociodemographics, perceived self-efficacy toward ACS, sources of children's self-efficacy, school settings, and objective environmental constraints. Multilevel structural equation modeling (SEM) was employed to test the hypothesized pathways using Mplus 7.0. Around 18% of the children were active commuters. Two sources of children's self-efficacy were identified, i.e., emotional states (β = 0.36, p < 0.001) and social modeling (β = 0.28, p < 0.01). Compared with children's self-efficacy (β = 0.16, p < 0.001), parents' self-efficacy (β = 0.63, p < 0.001) had a stronger influence on children's ACS. Participants' social economic disadvantage (β = 0.40, p < 0.001), environmental constraints (β = -0.49, p < 0.001), and school setting (β = -0.17, p = 0.029) all had statistically significant direct effects on children's ACS. Future initiatives should consider both parents' and children's self-efficacy in developing strategies for promoting children's ACS. Social disadvantage and environmental constraints also need to be addressed for effective interventions. The work reported here provides support for the continuing exploration of the role of self-efficacy in children's ACS.

Wave function, spectrum and effective mass of holes in 2 D quantum antiferromagnet

NASA Astrophysics Data System (ADS)

Su, Zhao-bin; Ll, Yan-min; Lai, Wu-yan; Yu, Lu

1989-12-01

A new quantum Bogoliubov-de Gennes (BdeG) formalism is developed to study the self-consistent motion of holes on an quantum antiferromagnetic (QAFM) background within the generalized t- J model. The local distortion of spin configurations and the renormalization of the hole motion due to virtual excitations of the distorted spin background are treated on an equal footing. The hole wave function and its spectrum, as well as the effective mass for a propagating hole are calculated explicitly.

Density matrix Monte Carlo modeling of quantum cascade lasers

NASA Astrophysics Data System (ADS)

Jirauschek, Christian

2017-10-01

By including elements of the density matrix formalism, the semiclassical ensemble Monte Carlo method for carrier transport is extended to incorporate incoherent tunneling, known to play an important role in quantum cascade lasers (QCLs). In particular, this effect dominates electron transport across thick injection barriers, which are frequently used in terahertz QCL designs. A self-consistent model for quantum mechanical dephasing is implemented, eliminating the need for empirical simulation parameters. Our modeling approach is validated against available experimental data for different types of terahertz QCL designs.

Phonons in quantum solids with defects. [lattice vacancies and interstitials in solid helium and metallic hydrogen

NASA Technical Reports Server (NTRS)

Jacobi, N.; Zmuidzinas, J. S.

1974-01-01

A formalism was developed for temperature-dependent, self-consistent phonons in quantum solids with defects. Lattice vacancies and interstitials in solid helium and metallic hydrogen, as well as electronic excitations in solid helium, were treated as defects that modify properties of these systems. The information to be gained from the modified phonon spectrum is discussed.

ac Stark-mediated quantum control with femtosecond two-color laser pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serrat, Carles

2005-11-15

A critical dependence of the quantum interference on the optical Stark spectral shift produced when two-color laser pulses interact with a two-level medium is observed. The four-wave mixing of two ultrashort phase-locked {omega}-3{omega} laser pulses propagating coherently in a two-level system depends on the pulses' relative phase. The phase dominating the efficiency of the coupling to the anti-Stokes Raman component is found to be determined by the sign of the total ac Stark shift induced in the system, in such a way that the phase sensitivity disappears precisely where the ac Stark effect due to both pulses is compensated. Amore » coherent control scheme based on this phenomenon can be contemplated as the basis for nonlinear optical spectroscopy techniques.« less

Microwave spectroscopy evidence of superconducting pairing in the magnetic-field-induced metallic state of InO(x) films at zero temperature.

PubMed

Liu, Wei; Pan, LiDong; Wen, Jiajia; Kim, Minsoo; Sambandamurthy, G; Armitage, N P

2013-08-09

We investigate the field-tuned quantum phase transition in a 2D low-disorder amorphous InO(x) film in the frequency range of 0.05 to 16 GHz employing microwave spectroscopy. In the zero-temperature limit, the ac data are consistent with a scenario where this transition is from a superconductor to a metal instead of a direct transition to an insulator. The intervening metallic phase is unusual with a small but finite resistance that is much smaller than the normal state sheet resistance at the lowest measured temperatures. Moreover, it exhibits a superconducting response on short length and time scales while global superconductivity is destroyed. We present evidence that the true quantum critical point of this 2D superconductor metal transition is located at a field B(sm) far below the conventionally defined critical field B(cross) where different isotherms of magnetoresistance cross each other. The superfluid stiffness in the low-frequency limit and the superconducting fluctuation frequency from opposite sides of the transition both vanish at B≈B(sm). The lack of evidence for finite-frequency superfluid stiffness surviving B(cross) signifies that B(cross) is a crossover above which superconducting fluctuations make a vanishing contribution to dc and ac measurements.

Quantum ratchets, the orbital Josephson effect, and chaos in Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Carr, Lincoln D.; Heimsoth, Martin; Creffield, Charles E.; Sols, Fernando

2014-03-01

In a system of ac-driven condensed bosons we study a new type of Josephson effect occurring between states sharing the same region of space and the same internal atom structure. We first develop a technique to calculate the long-time dynamics of a driven interacting many-body system. For resonant frequencies, this dynamics can be shown to derive from an effective time-independent Hamiltonian which is expressed in terms of standard creation and annihilation operators. Within the subspace of resonant states, and if the undriven states are plane waves, a locally repulsive interaction between bosons translates into an effective attraction. We apply the method to study the effect of interactions on the coherent ratchet current of an asymmetrically driven boson system. We find a wealth of dynamical regimes which includes Rabi oscillations, self-trapping and chaotic behavior. In the latter case, a full quantum many-body calculation deviates from the mean-field results by predicting large quantum fluctuations of the relative particle number. Moreover, we find that chaos and entanglement, as defined by a variety of widely used and accepted measures, are overlapping but distinct notions. Funded by Spanish MINECO, the Ramon y Cajal program (CEC), the Comunidad de Madrid through Grant Microseres, the Heidelberg Center for Quantum Dynamics, and the NSF.

Stochastic wave-function simulation of irreversible emission processes for open quantum systems in a non-Markovian environment

NASA Astrophysics Data System (ADS)

Polyakov, Evgeny A.; Rubtsov, Alexey N.

2018-02-01

When conducting the numerical simulation of quantum transport, the main obstacle is a rapid growth of the dimension of entangled Hilbert subspace. The Quantum Monte Carlo simulation techniques, while being capable of treating the problems of high dimension, are hindered by the so-called "sign problem". In the quantum transport, we have fundamental asymmetry between the processes of emission and absorption of environment excitations: the emitted excitations are rapidly and irreversibly scattered away. Whereas only a small part of these excitations is absorbed back by the open subsystem, thus exercising the non-Markovian self-action of the subsystem onto itself. We were able to devise a method for the exact simulation of the dominant quantum emission processes, while taking into account the small backaction effects in an approximate self-consistent way. Such an approach allows us to efficiently conduct simulations of real-time dynamics of small quantum subsystems immersed in non-Markovian bath for large times, reaching the quasistationary regime. As an example we calculate the spatial quench dynamics of Kondo cloud for a bozonized Kodno impurity model.

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe-Salpeter equation.

PubMed

Ziaei, Vafa; Bredow, Thomas

2018-05-31

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe-Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe–Salpeter equation

NASA Astrophysics Data System (ADS)

Ziaei, Vafa; Bredow, Thomas

2018-05-01

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe–Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

Theory and modelling of light-matter interactions in photonic crystal cavity systems coupled to quantum dot ensembles

NASA Astrophysics Data System (ADS)

Cartar, William K.

Photonic crystal microcavity quantum dot lasers show promise as high quality-factor, low threshold lasers, that can be integrated on-chip, with tunable room temperature opera- tions. However, such semiconductor microcavity lasers are notoriously difficult to model in a self-consistent way and are primarily modelled by simplified rate equation approxima- tions, typically fit to experimental data, which limits investigations of their optimization and fundamental light-matter interaction processes. Moreover, simple cavity mode optical theory and rate equations have recently been shown to fail in explaining lasing threshold trends in triangular lattice photonic crystal cavities as a function of cavity size, and the potential impact of fabrication disorder is not well understood. In this thesis, we develop a simple but powerful numerical scheme for modelling the quantum dot active layer used for lasing in these photonic crystal cavity structures, as an ensemble of randomly posi- tioned artificial two-level atoms. Each two-level atom is defined by optical Bloch equations solved by a quantum master equation that includes phenomenological pure dephasing and an incoherent pump rate that effectively models a multi-level gain system. Light-matter in- teractions of both passive and lasing structures are analyzed using simulation defined tools and post-simulation Green function techniques. We implement an active layer ensemble of up to 24,000 statistically unique quantum dots in photonic crystal cavity simulations, using a self-consistent finite-difference time-domain method. This method has the distinct advantage of capturing effects such as dipole-dipole coupling and radiative decay, without the need for any phenomenological terms, since the time-domain solution self-consistently captures these effects. Our analysis demonstrates a powerful ability to connect with recent experimental trends, while remaining completely general in its set-up; for example, we do not invoke common approximations such as the rotating-wave or slowly-varying envelope approximations, and solve dynamics with zero a priori knowledge.

Microfluidic assisted one-step fabrication of porous silicon@acetalated dextran nanocomposites for precisely controlled combination chemotherapy.

PubMed

Liu, Dongfei; Zhang, Hongbo; Mäkilä, Ermei; Fan, Jin; Herranz-Blanco, Bárbara; Wang, Chang-Fang; Rosa, Ricardo; Ribeiro, António J; Salonen, Jarno; Hirvonen, Jouni; Santos, Hélder A

2015-01-01

An advanced nanocomposite consisting of an encapsulated porous silicon (PSi) nanoparticle and an acid-degradable acetalated dextran (AcDX) matrix (nano-in-nano), was efficiently fabricated by a one-step microfluidic self-assembly approach. The obtained nano-in-nano PSi@AcDX composites showed improved surface smoothness, homogeneous size distribution, and considerably enhanced cytocompatibility. Furthermore, multiple drugs with different physicochemical properties have been simultaneously loaded into the nanocomposites with a ratiometric control. The release kinetics of all the payloads was predominantly controlled by the decomposition rate of the outer AcDX matrix. To facilitate the intracellular drug delivery, a nona-arginine cell-penetrating peptide (CPP) was chemically conjugated onto the surface of the nanocomposites by oxime click chemistry. Taking advantage of the significantly improved cell uptake, the proliferation of two breast cancer cell lines was markedly inhibited by the CPP-functionalized multidrug-loaded nanocomposites. Overall, this nano-in-nano PSi@polymer composite prepared by the microfluidic self-assembly approach is a universal platform for nanoparticles encapsulation and precisely controlled combination chemotherapy. Copyright © 2014 Elsevier Ltd. All rights reserved.

Berkeley Lab - Materials Sciences Division

Science.gov Websites

. Orlita, L. Z. Tan, M. Potemski, M. Sprinkle, C. Berger, W. A. de Heer, S. G. Louie and G. Martinez . DePaolo and J. J. De Yoreo. Self-consistent ion-by-ion growth model for kinetic isotopic fractionation Biosynthesis Restricts Mycobacterium tuberculosis Growth in Human Macrophages. ACS Chemical Biology 7, 863

QCAD simulation and optimization of semiconductor double quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nielsen, Erik; Gao, Xujiao; Kalashnikova, Irina

2013-12-01

We present the Quantum Computer Aided Design (QCAD) simulator that targets modeling quantum devices, particularly silicon double quantum dots (DQDs) developed for quantum qubits. The simulator has three di erentiating features: (i) its core contains nonlinear Poisson, e ective mass Schrodinger, and Con guration Interaction solvers that have massively parallel capability for high simulation throughput, and can be run individually or combined self-consistently for 1D/2D/3D quantum devices; (ii) the core solvers show superior convergence even at near-zero-Kelvin temperatures, which is critical for modeling quantum computing devices; (iii) it couples with an optimization engine Dakota that enables optimization of gate voltagesmore » in DQDs for multiple desired targets. The Poisson solver includes Maxwell- Boltzmann and Fermi-Dirac statistics, supports Dirichlet, Neumann, interface charge, and Robin boundary conditions, and includes the e ect of dopant incomplete ionization. The solver has shown robust nonlinear convergence even in the milli-Kelvin temperature range, and has been extensively used to quickly obtain the semiclassical electrostatic potential in DQD devices. The self-consistent Schrodinger-Poisson solver has achieved robust and monotonic convergence behavior for 1D/2D/3D quantum devices at very low temperatures by using a predictor-correct iteration scheme. The QCAD simulator enables the calculation of dot-to-gate capacitances, and comparison with experiment and between solvers. It is observed that computed capacitances are in the right ballpark when compared to experiment, and quantum con nement increases capacitance when the number of electrons is xed in a quantum dot. In addition, the coupling of QCAD with Dakota allows to rapidly identify which device layouts are more likely leading to few-electron quantum dots. Very efficient QCAD simulations on a large number of fabricated and proposed Si DQDs have made it possible to provide fast feedback for design comparison and optimization.« less

Superconducting nanoribbon with a constriction: A quantum-confined Josephson junction

NASA Astrophysics Data System (ADS)

Flammia, L.; Zhang, L.-F.; Covaci, L.; Perali, A.; Milošević, M. V.

2018-04-01

Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use.

Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters.

PubMed

Georgescu, Ionuţ; Mandelshtam, Vladimir A

2012-10-14

The theory of self-consistent phonons (SCP) was originally developed to address the anharmonic effects in condensed matter systems. The method seeks a harmonic, temperature-dependent Hamiltonian that provides the "best fit" for the physical Hamiltonian, the "best fit" being defined as the one that optimizes the Helmholtz free energy at a fixed temperature. The present developments provide a scalable O(N) unified framework that accounts for anharmonic effects in a many-body system, when it is probed by either thermal (ℏ → 0) or quantum fluctuations (T → 0). In these important limits, the solution of the nonlinear SCP equations can be reached in a manner that requires only the multiplication of 3N × 3N matrices, with no need of diagonalization. For short range potentials, such as Lennard-Jones, the Hessian, and other related matrices are highly sparse, so that the scaling of the matrix multiplications can be reduced from O(N(3)) to ~O(N). We investigate the role of quantum effects by continuously varying the de-Boer quantum delocalization parameter Λ and report the N-Λ (T = 0), and also the classical N-T (Λ = 0) phase diagrams for sizes up to N ~ 10(4). Our results demonstrate that the harmonic approximation becomes inadequate already for such weakly quantum systems as neon clusters, or for classical systems much below the melting temperatures.

Aharonov-Casher effect and quantum transport in graphene based nano rings: A self-consistent Born approximation

NASA Astrophysics Data System (ADS)

Ghaderzadeh, A.; Rahbari, S. H. Ebrahimnazhad; Phirouznia, A.

2018-03-01

In this study, Rashba coupling induced Aharonov-Casher effect in a graphene based nano ring is investigated theoretically. The graphene based nano ring is considered as a central device connected to semi-infinite graphene nano ribbons. In the presence of the Rashba spin-orbit interaction, two armchair shaped edge nano ribbons are considered as semi-infinite leads. The non-equilibrium Green's function approach is utilized to obtain the quantum transport characteristics of the system. The relaxation and dephasing mechanisms within the self-consistent Born approximation is scrutinized. The Lopez-Sancho method is also applied to obtain the self-energy of the leads. We unveil that the non-equilibrium current of the system possesses measurable Aharonov-Casher oscillations with respect to the Rashba coupling strength. In addition, we have observed the same oscillations in dilute impurity regimes in which amplitude of the oscillations is shown to be suppressed as a result of the relaxations.

Self-consistent quantum kinetic theory of diatomic molecule formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forrey, Robert C.

2015-07-14

A quantum kinetic theory of molecule formation is presented which includes three-body recombination and radiative association for a thermodynamically closed system which may or may not exchange energy with its surrounding at a constant temperature. The theory uses a Sturmian representation of a two-body continuum to achieve a steady-state solution of a governing master equation which is self-consistent in the sense that detailed balance between all bound and unbound states is rigorously enforced. The role of quasibound states in catalyzing the molecule formation is analyzed in complete detail. The theory is used to make three predictions which differ from conventionalmore » kinetic models. These predictions suggest significant modifications may be needed to phenomenological rate constants which are currently in wide use. Implications for models of low and high density systems are discussed.« less

Selective Memory to Apoptotic Cell-Derived Self-Antigens with Implications for Systemic Lupus Erythematosus Development.

PubMed

Duhlin, Amanda; Chen, Yunying; Wermeling, Fredrik; Sedimbi, Saikiran K; Lindh, Emma; Shinde, Rahul; Halaby, Marie Jo; Kaiser, Ylva; Winqvist, Ola; McGaha, Tracy L; Karlsson, Mikael C I

2016-10-01

Autoimmune diseases are characterized by pathogenic immune responses to self-antigens. In systemic lupus erythematosus (SLE), many self-antigens are found in apoptotic cells (ACs), and defects in removal of ACs from the body are linked to a risk for developing SLE. This includes pathological memory that gives rise to disease flares. In this study, we investigated how memory to AC-derived self-antigens develops and the contribution of self-memory to the development of lupus-related pathology. Multiple injections of ACs without adjuvant into wild-type mice induce a transient primary autoimmune response without apparent anti-nuclear Ab reactivity or kidney pathology. Interestingly, as the transient Ab response reached baseline, a single boost injection fully recalled the immune response to ACs, and this memory response was furthermore transferable into naive mice. Additionally, the memory response contains elements of pathogenicity, accompanied by selective memory to selective Ags. Thus, we provide evidence for a selective self-memory that underlies progression of the response to self-antigens with implications for SLE development therapy. Copyright © 2016 by The American Association of Immunologists, Inc.

Quantum gravity extension of the inflationary scenario.

PubMed

Agullo, Ivan; Ashtekar, Abhay; Nelson, William

2012-12-21

Since the standard inflationary paradigm is based on quantum field theory on classical space-times, it excludes the Planck era. Using techniques from loop quantum gravity, the paradigm is extended to a self-consistent theory from the Planck scale to the onset of slow roll inflation, covering some 11 orders of magnitude in energy density and curvature. This preinflationary dynamics also opens a small window for novel effects, e.g., a source for non-Gaussianities, which could extend the reach of cosmological observations to the deep Planck regime of the early Universe.

Dynamics and Thermodynamics of Quantum Crystals Near the Instability Point in the Self-Consistent Phonon Theory

DTIC Science & Technology

2001-01-01

Buckingham (B), Lennard - Jones (LI ) and Morse (M) potential energy parameters of solid helium and neon calculated with the help of experimental data for the...Using the values of potential energy parameters given in Table 1 for the Buckingham (Eq.(3)), Lennard - Jones (Eq.(4)) and the Morse (Eq.(5)) s.c...calculations are performed in terms of the (expm) Buckingham, the (n,m) Lennard - Jones and the (expexp) Morse self-consistent potentials as

Quantum confined stark effect on the binding energy of exciton in type II quantum heterostructure

NASA Astrophysics Data System (ADS)

Suseel, Rahul K.; Mathew, Vincent

2018-05-01

In this work, we have investigated the effect of external electric field on the strongly confined excitonic properties of CdTe/CdSe/CdTe/CdSe type-II quantum dot heterostructures. Within the effective mass approximation, we solved the Poisson-Schrodinger equations of the exciton in nanostructure using relaxation method in a self-consistent iterative manner. We changed both the external electric field and core radius of the quantum dot, to study the behavior of binding energy of exciton. Our studies show that the external electric field destroys the positional flipped state of exciton by modifying the confining potentials of electron and hole.

(3 + 1)-dimensional topological phases and self-dual quantum geometries encoded on Heegaard surfaces

NASA Astrophysics Data System (ADS)

Dittrich, Bianca

2017-05-01

We apply the recently suggested strategy to lift state spaces and operators for (2 + 1)-dimensional topological quantum field theories to state spaces and operators for a (3 + 1)-dimensional TQFT with defects. We start from the (2 + 1)-dimensional TuraevViro theory and obtain a state space, consistent with the state space expected from the Crane-Yetter model with line defects.

Self-consistent large- N analytical solutions of inhomogeneous condensates in quantum ℂP N - 1 model

NASA Astrophysics Data System (ADS)

Nitta, Muneto; Yoshii, Ryosuke

2017-12-01

We give, for the first time, self-consistent large- N analytical solutions of inhomogeneous condensates in the quantum ℂP N - 1 model in the large- N limit. We find a map from a set of gap equations of the ℂP N - 1 model to those of the Gross-Neveu (GN) model (or the gap equation and the Bogoliubov-de Gennes equation), which enables us to find the self-consistent solutions. We find that the Higgs field of the ℂP N - 1 model is given as a zero mode of solutions of the GN model, and consequently only topologically non-trivial solutions of the GN model yield nontrivial solutions of the ℂP N - 1 model. A stable single soliton is constructed from an anti-kink of the GN model and has a broken (Higgs) phase inside its core, in which ℂP N - 1 modes are localized, with a symmetric (confining) phase outside. We further find a stable periodic soliton lattice constructed from a real kink crystal in the GN model, while the Ablowitz-Kaup-Newell-Segur hierarchy yields multiple solitons at arbitrary separations.

Normative and self-perceived orthodontic treatment need in Nigerian school children.

PubMed

Ajayi, Emmanuel Olubusayo

2015-07-01

The aim of this study was to assess the normative and self-perceived need for orthodontic treatment in Nigerian children, and to evaluate distribution of orthodontic treatment need according to gender and age. The sample consisted of 441 randomly selected school children, aged 11-18 years in Benin City, Nigeria. The subjects were further sub-grouped according to gender (229 males and 212 females) and age (246 11-13 years old and 195 14-18 years old). The Dental health Component (DHC) and Aesthetic Component (AC) of Index of Orthodontic Treatment Need (IOTN) were used to assess orthodontic treatment need normatively. Self-perceived need was evaluated by asking the subjects to rate their dental aesthetics on the Aesthetic Component scale of IOTN. Chi-square tests were used to evaluate gender and age differences in distribution of treatment need. A definite need for orthodontic treatment was found among 21.5% (grades 4-5 of DHC) and 6.3% (grades 8-10 of AC) of the subjects; 3.9% of the subjects perceived a definite need for orthodontic treatment (grades 8-10 of AC). There were no statistically significant gender and age differences in distribution of orthodontic treatment need among the subjects (p > 0.05). The study revealed a need for orthodontic treatment in slightly more than one fifth (21.5%) of this sample of Nigerian children. The sample population has a lower need on aesthetic grounds and their normative and self-perceived orthodontic treatment needs were not influenced by gender and age.

Effect of sodium acetate additive in successive ionic layer adsorption and reaction on the performance of CdS quantum-dot-sensitized solar cells

NASA Astrophysics Data System (ADS)

Liu, I.-Ping; Chen, Liang-Yih; Lee, Yuh-Lang

2016-09-01

Sodium acetate (NaAc) is utilized as an additive in cationic precursors of the successive ionic layer adsorption and reaction (SILAR) process to fabricate CdS quantum-dot (QD)-sensitized photoelectrodes. The effects of the NaAc concentration on the deposition rate and distribution of QDs in mesoporous TiO2 films, as well as on the performance of CdS-sensitized solar cells are studied. The experimental results show that the presence of NaAc can significantly accelerate the deposition of CdS, improve the QD distribution across photoelectrodes, and thereby, increase the performance of solar cells. These results are mainly attributed to the pH-elevation effect of NaAc to the cationic precursors which increases the electrostatic interaction of the TiO2 film to cadmium ions. The light-to-energy conversion efficiency of the CdS-sensitized solar cell increases with increasing concentration of the NaAc and approaches a maximum value (3.11%) at 0.05 M NaAc. Additionally, an ionic exchange is carried out on the photoelectrode to transform the deposited CdS into CdS1-xSex ternary QDs. The light-absorption range of the photoelectrode is extended and an exceptional power conversion efficiency of 4.51% is achieved due to this treatment.

Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation.

PubMed

Ferenczy, György G

2013-04-05

The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.

On quantum integrability of the Landau-Lifshitz model

NASA Astrophysics Data System (ADS)

Melikyan, A.; Pinzul, A.

2009-10-01

We investigate the quantum integrability of the Landau-Lifshitz (LL) model and solve the long-standing problem of finding the local quantum Hamiltonian for the arbitrary n-particle sector. The particular difficulty of the LL model quantization, which arises due to the ill-defined operator product, is dealt with by simultaneously regularizing the operator product and constructing the self-adjoint extensions of a very particular structure. The diagonalizibility difficulties of the Hamiltonian of the LL model, due to the highly singular nature of the quantum-mechanical Hamiltonian, are also resolved in our method for the arbitrary n-particle sector. We explicitly demonstrate the consistency of our construction with the quantum inverse scattering method due to Sklyanin [Lett. Math. Phys. 15, 357 (1988)] and give a prescription to systematically construct the general solution, which explains and generalizes the puzzling results of Sklyanin for the particular two-particle sector case. Moreover, we demonstrate the S-matrix factorization and show that it is a consequence of the discontinuity conditions on the functions involved in the construction of the self-adjoint extensions.

Nanoparticle self-assembly by a highly stable recombinant spider wrapping silk protein subunit.

PubMed

Xu, Lingling; Tremblay, Marie-Laurence; Orrell, Kathleen E; Leclerc, Jérémie; Meng, Qing; Liu, Xiang-Qin; Rainey, Jan K

2013-10-01

Artificial spider silk proteins may form fibers with exceptional strength and elasticity. Wrapping silk, or aciniform silk, is the toughest of the spider silks, and has a very different protein composition than other spider silks. Here, we present the characterization of an aciniform protein (AcSp1) subunit named W1, consisting of one AcSp1 199 residue repeat unit from Argiope trifasciata. The structural integrity of recombinant W1 is demonstrated in a variety of buffer conditions and time points. Furthermore, we show that W1 has a high thermal stability with reversible denaturation at ∼71°C and forms self-assembled nanoparticle in near-physiological conditions. W1 therefore represents a highly stable and structurally robust module for protein-based nanoparticle formation. Copyright © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Derivation of the cut-off length from the quantum quadratic enhancement of a mass in vacuum energy constant Lambda

NASA Astrophysics Data System (ADS)

Fukushima, Kimichika; Sato, Hikaru

2018-04-01

Ultraviolet self-interaction energies in field theory sometimes contain meaningful physical quantities. The self-energies in such as classical electrodynamics are usually subtracted from the rest mass. For the consistent treatment of energies as sources of curvature in the Einstein field equations, this study includes these subtracted self-energies into vacuum energy expressed by the constant Lambda (used in such as Lambda-CDM). In this study, the self-energies in electrodynamics and macroscopic classical Einstein field equations are examined, using the formalisms with the ultraviolet cut-off scheme. One of the cut-off formalisms is the field theory in terms of the step-function-type basis functions, developed by the present authors. The other is a continuum theory of a fundamental particle with the same cut-off length. Based on the effectiveness of the continuum theory with the cut-off length shown in the examination, the dominant self-energy is the quadratic term of the Higgs field at a quantum level (classical self-energies are reduced to logarithmic forms by quantum corrections). The cut-off length is then determined to reproduce today's tiny value of Lambda for vacuum energy. Additionally, a field with nonperiodic vanishing boundary conditions is treated, showing that the field has no zero-point energy.

Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts.

PubMed

Knizia, Gerald

2013-11-12

Modern quantum chemistry can make quantitative predictions on an immense array of chemical systems. However, the interpretation of those predictions is often complicated by the complex wave function expansions used. Here we show that an exceptionally simple algebraic construction allows for defining atomic core and valence orbitals, polarized by the molecular environment, which can exactly represent self-consistent field wave functions. This construction provides an unbiased and direct connection between quantum chemistry and empirical chemical concepts, and can be used, for example, to calculate the nature of bonding in molecules, in chemical terms, from first principles. In particular, we find consistency with electronegativities (χ), C 1s core-level shifts, resonance substituent parameters (σR), Lewis structures, and oxidation states of transition-metal complexes.

Rabi-Bloch oscillations in spatially distributed systems: Temporal dynamics and frequency spectra

NASA Astrophysics Data System (ADS)

Levie, Ilay; Kastner, Raphael; Slepyan, Gregory

2017-10-01

We consider one-dimensional chains of two-level quantum systems coupled via tunneling. The chain is driven by the superposition of dc and ac fields in the strong coupling regime. Based on the fundamental principles of electrodynamics and quantum theory, we have developed a generalized model of quantum dynamics for such interactions, free of rotating-wave approximation. The system of equations of motion was studied numerically. We analyzed the dynamics and spectra of the inversion density, dipole current density, and tunneling current density. In the case of resonant interaction with the ac component, the particle dynamics exhibits itself in the oscillatory regime, which may be interpreted as a combination of Rabi and Bloch oscillations with their strong mutual influence. Such scenario for an obliquely incident ac field dramatically differs from the individual picture of both types of oscillations due to the interactions. This effect is counterintuitive because of the existence of markedly different frequency ranges for such two types of oscillations. These dynamics manifest themselves in multiline spectra in different combinations of Rabi and Bloch frequencies. The effect is promising as a framework of a new type of spectroscopy in nanoelectronics and electrical control of nanodevices.

Self-consistent modeling of terahertz waveguide and cavity with frequency-dependent conductivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Y. J.; Chu, K. R., E-mail: krchu@yahoo.com.tw; Thumm, M.

The surface resistance of metals, and hence the Ohmic dissipation per unit area, scales with the square root of the frequency of an incident electromagnetic wave. As is well recognized, this can lead to excessive wall losses at terahertz (THz) frequencies. On the other hand, high-frequency oscillatory motion of conduction electrons tends to mitigate the collisional damping. As a result, the classical theory predicts that metals behave more like a transparent medium at frequencies above the ultraviolet. Such a behavior difference is inherent in the AC conductivity, a frequency-dependent complex quantity commonly used to treat electromagnetics of metals at opticalmore » frequencies. The THz region falls in the gap between microwave and optical frequencies. However, metals are still commonly modeled by the DC conductivity in currently active vacuum electronics research aimed at the development of high-power THz sources (notably the gyrotron), although a small reduction of the DC conductivity due to surface roughness is sometimes included. In this study, we present a self-consistent modeling of the gyrotron interaction structures (a metallic waveguide or cavity) with the AC conductivity. The resulting waveguide attenuation constants and cavity quality factors are compared with those of the DC-conductivity model. The reduction in Ohmic losses under the AC-conductivity model is shown to be increasingly significant as the frequency reaches deeper into the THz region. Such effects are of considerable importance to THz gyrotrons for which the minimization of Ohmic losses constitutes a major design consideration.« less

The psychosocial impact of dental aesthetics questionnaire--translation and cross-cultural validation in Croatia.

PubMed

Spalj, Stjepan; Lajnert, Vlatka; Ivankovic, Luida

2014-05-01

To perform a translation and validation of the psychosocial impact of dental aesthetics questionnaire (PIDAQ) in the Croatian cultural context. A total of 262 subjects (34 % males) aged 18-30 years (mean age 22.7 ± 2.6) were included. The questionnaire included the PIDAQ, a self-assessment of satisfaction with dental aesthetics, a self-perceived dental treatment need assessment, self-reported malocclusion, an aesthetic component of index of orthodontic treatment need (IOTN AC) and an oral health impact profile (OHIP-14 CRO). The subjects' orthodontic treatment needs were assessed by a dentist using the dental health and aesthetic component of the IOTN. The internal consistency, test-retest reliability, validity and responsiveness were assessed. Little's Irregularity index was used to correlate the amount of resolution of dental crowding by orthodontic treatment with the change in PIDAQ domains. The domains of the Croatian version of the PIDAQ showed satisfactory internal consistency (α ranging from 0.79 to 0.95) and high test-retest reliability (r > 0.85). The significant association between the PIDAQ domains and self-reported satisfaction with teeth appearance, IOTN AC and OHIP-14 CRO (p < 0.001) confirmed the convergent validity. The domains were able to detect differences in the subjects' psychosocial impact related to orthodontic treatment that improved dental aesthetics in responsiveness testing (p < 0.001). The Croatian version of the PIDAQ demonstrated good psychometric properties, similar to those of the original.

On the zigzagging causility model of EPR correlations and on the interpretation of quantum mechanics

NASA Astrophysics Data System (ADS)

de Beauregard, O. Costa

1988-09-01

Being formalized inside the S-matrix scheme, the zigzagging causility model of EPR correlations has full Lorentz and CPT invariance. EPR correlations, proper or reversed, and Wheeler's smoky dragon metaphor are respectively pictured in spacetime or in the momentum-energy space, as V-shaped, A-shaped, or C-shaped ABC zigzags, with a summation at B over virtual states |B>

Molecular structure of tris(cyclopropylsilyl)amine as determined by gas electron diffraction and quantum-chemical calculations

NASA Astrophysics Data System (ADS)

Vishnevskiy, Yuri V.; Abaev, Maxim A.; Ivanov, Arkadii A.; Vilkov, Lev V.; Dakkouri, Marwan

2008-10-01

The molecular structure and conformation of tris(cyclopropylsilyl)amine (TCPSA) has been studied by means of gas-phase electron diffraction at 338 K and quantum-chemical calculations. A total of 12 relatively stable conformations of TCPSA molecule were considered. According to the experimental results and the DFT calculations the most stable conformer corresponds to a configuration (according to the Prelog-Klyne notation) of the type (-ac)(-ac)(+ac)-(-ac)(-ac)(+ac), where the first three parentheses describe the three different Si-N-Si-C torsional angles and the latter ones depict the rotation of the three cyclopropyl groups about the C ring-Si axes, respectively. The quantum-mechanical calculations were performed using various density functional (B3LYP, X3LYP and O3LYP) and perturbation MP2 methods in combination with double- and triple- ζ basis sets plus polarization and diffuse functions. The most important experimental geometrical parameters of TCPSA ( ra Å, ∠ h1 degrees) are: (Si-N) av = 1.741(3), (Si-C) av = 1.866(4), (C-C) av = 1.510(3), (C-C(Si)) av = 1.535(3), (N-Si-C) av = 115.1(18)°. For the purpose of comparison and searching for reasons leading to the planarity of the Si 3N moiety in trisilylated amines we carried out NBO analysis and optimized the geometries of numerous silylamines. Among these compounds was tris(allylsilyl)amine (TASA), which is isovalent and isoelectronic to TCPSA. Utilizing the structural results we obtained we could show that Si +⋯Si + electrostatic repulsive interaction is predominantly responsible for the planarity of the Si 3N skeleton in TCPSA and in all other trisilylamines we considered. We also found that regardless the size and partial charges of the substituents the Si-N-Si bond angle in various disilylamines amounts to 130 ± 2°.

Fourier transform-based scattering-rate method for self-consistent simulations of carrier transport in semiconductor heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schrottke, L., E-mail: lutz@pdi-berlin.de; Lü, X.; Grahn, H. T.

We present a self-consistent model for carrier transport in periodic semiconductor heterostructures completely formulated in the Fourier domain. In addition to the Hamiltonian for the layer system, all expressions for the scattering rates, the applied electric field, and the carrier distribution are treated in reciprocal space. In particular, for slowly converging cases of the self-consistent solution of the Schrödinger and Poisson equations, numerous transformations between real and reciprocal space during the iterations can be avoided by using the presented method, which results in a significant reduction of computation time. Therefore, it is a promising tool for the simulation and efficientmore » design of complex heterostructures such as terahertz quantum-cascade lasers.« less

Quantum criticality and development of antiferromagnetic order in the quasikagome Kondo lattice CeR h1 -xP dxSn

NASA Astrophysics Data System (ADS)

Yang, C. L.; Tsuda, S.; Umeo, K.; Yamane, Y.; Onimaru, T.; Takabatake, T.; Kikugawa, N.; Terashima, T.; Uji, S.

2017-07-01

CeRhSn with a quasikagome lattice of Ce atoms in the hexagonal c plane has been expected to be in close vicinity to a zero-field quantum criticality derived from magnetic frustration. We have studied how the ground state changes with substitution of Pd for Rh in CeR h1 -xP dxSn (x ≤0.75 ) by measuring the specific heat C , magnetic susceptibilities χdc and χac, magnetization M , electrical resistivity ρ, and magnetoresistance. For x =0 , the field dependence of χac at T =0.03 K shows a peak at B ∥a =3.5 T , confirming the spin-flop crossover in the field applied along the hard axis. The temperature dependence of χac shows a broad maximum at 0.1 K whereas C /T continues to increase down to 0.08 K. For x ≧0.1 ,ρ (T ) is dominated by incoherent Kondo scattering and both C /T and χac(T ) exhibit peaks, indicating the development of an antiferromagnetic order. The ordering temperature rises to 2.5 K as x is increased to 0.75. Our results indicate that the ground state in the quasikagome Kondo lattice CeR h1 -xP dxSn leaves the quantum critical point at x =0 with increasing x as a consequence of suppression of both the magnetic frustration and Kondo effect.

Observation of zero-point quantum fluctuations of a single-molecule magnet through the relaxation of its nuclear spin bath.

PubMed

Morello, A; Millán, A; de Jongh, L J

2014-03-21

A single-molecule magnet placed in a magnetic field perpendicular to its anisotropy axis can be truncated to an effective two-level system, with easily tunable energy splitting. The quantum coherence of the molecular spin is largely determined by the dynamics of the surrounding nuclear spin bath. Here we report the measurement of the nuclear spin-lattice relaxation rate 1/T1n in a single crystal of the single-molecule magnet Mn12-ac, at T ≈ 30 mK in perpendicular fields B⊥ up to 9 T. The relaxation channel at B ≈ 0 is dominated by incoherent quantum tunneling of the Mn12-ac spin S, aided by the nuclear bath itself. However for B⊥>5 T we observe an increase of 1/T1n by several orders of magnitude up to the highest field, despite the fact that the molecular spin is in its quantum mechanical ground state. This striking observation is a consequence of the zero-point quantum fluctuations of S, which allow it to mediate the transfer of energy from the excited nuclear spin bath to the crystal lattice at much higher rates. Our experiment highlights the importance of quantum fluctuations in the interaction between an "effective two-level system" and its surrounding spin bath.

On the emergence of the structure of physics

NASA Astrophysics Data System (ADS)

Majid, S.

2018-04-01

We consider Hilbert's problem of the axioms of physics at a qualitative or conceptual level. This is more pressing than ever as we seek to understand how both general relativity and quantum theory could emerge from some deeper theory of quantum gravity, and in this regard I have previously proposed a principle of self-duality or quantum Born reciprocity as a key structure. Here, I outline some of my recent work around the idea of quantum space-time as motivated by this non-standard philosophy, including a new toy model of gravity on a space-time consisting of four points forming a square. This article is part of the theme issue `Hilbert's sixth problem'.

On the emergence of the structure of physics.

PubMed

Majid, S

2018-04-28

We consider Hilbert's problem of the axioms of physics at a qualitative or conceptual level. This is more pressing than ever as we seek to understand how both general relativity and quantum theory could emerge from some deeper theory of quantum gravity, and in this regard I have previously proposed a principle of self-duality or quantum Born reciprocity as a key structure. Here, I outline some of my recent work around the idea of quantum space-time as motivated by this non-standard philosophy, including a new toy model of gravity on a space-time consisting of four points forming a square.This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).

Modeling of mid-infrared quantum cascade lasers: The role of temperature and operating field strength on the laser performance

NASA Astrophysics Data System (ADS)

Yousefvand, Hossein Reza

2017-07-01

In this paper a self-consistent numerical approach to study the temperature and bias dependent characteristics of mid-infrared (mid-IR) quantum cascade lasers (QCLs) is presented which integrates a number of quantum mechanical models. The field-dependent laser parameters including the nonradiative scattering times, the detuning and energy levels, the escape activation energy, the backfilling excitation energy and dipole moment of the optical transition are calculated for a wide range of applied electric fields by a self-consistent solution of Schrodinger-Poisson equations. A detailed analysis of performance of the obtained structure is carried out within a self-consistent solution of the subband population rate equations coupled with carrier coherent transport equations through the sequential resonant tunneling, by taking into account the temperature and bias dependency of the relevant parameters. Furthermore, the heat transfer equation is included in order to calculate the carrier temperature inside the active region levels. This leads to a compact predictive model to analyze the temperature and electric field dependent characteristics of the mid-IR QCLs such as the light-current (L-I), electric field-current (F-I) and core temperature-electric field (T-F) curves. For a typical mid-IR QCL, a good agreement was found between the simulated temperature-dependent L-I characteristic and experimental data, which confirms validity of the model. It is found that the main characteristics of the device such as output power and turn-on delay time are degraded by interplay between the temperature and Stark effects.

Almost certain escape from black holes in final state projection models.

PubMed

Lloyd, Seth

2006-02-17

Recent models of the black-hole final state suggest that quantum information can escape from a black hole by a process akin to teleportation. These models rely on a controversial process called final-state projection. This Letter discusses the self-consistency of the final-state projection hypothesis and investigates escape from black holes for arbitrary final states and for generic interactions between matter and Hawking radiation. Quantum information escapes with fidelity approximately = (8/3pi)2: only half a bit of quantum information is lost on average, independent of the number of bits that escape from the hole.

Phosphorene quantum dot-fullerene nanocomposites for solar energy conversion: An unexplored inorganic-organic nanohybrid with novel photovoltaic properties

NASA Astrophysics Data System (ADS)

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.

Self-consistent geodesic equation and quantum tunneling from charged AdS black holes

NASA Astrophysics Data System (ADS)

Deng, Gao-Ming

2017-12-01

Some urgent shortcomings in previous derivations of geodesic equations are remedied in this paper. In contrast to the unnatural and awkward treatment in previous works, here we derive the geodesic equations of massive and massless particles in a unified and self- consistent manner. Furthermore, we extend to investigate the Hawking radiation via tunneling from charged black holes in the context of AdS spacetime. Of special interest, the application of the first law of black hole thermodynamics in tunneling integration manifestly simplifies the calculation.

An Efficient, Scalable and Robust P2P Overlay for Autonomic Communication

NASA Astrophysics Data System (ADS)

Li, Deng; Liu, Hui; Vasilakos, Athanasios

The term Autonomic Communication (AC) refers to self-managing systems which are capable of supporting self-configuration, self-healing and self-optimization. However, information reflection and collection, lack of centralized control, non-cooperation and so on are just some of the challenges within AC systems. Since many self-* properties (e.g. selfconfiguration, self-optimization, self-healing, and self-protecting) are achieved by a group of autonomous entities that coordinate in a peer-to-peer (P2P) fashion, it has opened the door to migrating research techniques from P2P systems. P2P's meaning can be better understood with a set of key characteristics similar to AC: Decentralized organization, Self-organizing nature (i.e. adaptability), Resource sharing and aggregation, and Fault-tolerance. However, not all P2P systems are compatible with AC. Unstructured systems are designed more specifically than structured systems for the heterogeneous Internet environment, where the nodes' persistence and availability are not guaranteed. Motivated by the challenges in AC and based on comprehensive analysis of popular P2P applications, three correlative standards for evaluating the compatibility of a P2P system with AC are presented in this chapter. According to these standards, a novel Efficient, Scalable and Robust (ESR) P2P overlay is proposed. Differing from current structured and unstructured, or meshed and tree-like P2P overlay, the ESR is a whole new three dimensional structure to improve the efficiency of routing, while information exchanges take in immediate neighbors with local information to make the system scalable and fault-tolerant. Furthermore, rather than a complex game theory or incentive mechanism, asimple but effective punish mechanism has been presented based on a new ID structure which can guarantee the continuity of each node's record in order to discourage negative behavior on an autonomous environment as AC.

The association between self-reported exercise intensity and acute coronary syndrome in emergency department chest pain patients.

PubMed

Singer, Adam J; Thode, Henry C; Peacock, W Frank; Hollander, Judd E; Diercks, Deborah; Birkhahn, Robert; Shapiro, Nathan; Glynn, Ted; Nowack, Richard; Safdar, Basmah; Miller, Chadwick; Lewandrowski, Elizabeth; Nagurney, John

2013-01-01

Regular exercise is thought to be protective against coronary artery disease. As a result, some physicians believe that the likelihood of acute coronary syndrome (ACS) in patients with acute chest pain is reduced in those who exercise regularly. We studied the association between self-reported frequency of exercising and the likelihood of ACS in patients presenting to the Emergency Department (ED) with chest pain. A multi-center prospective, descriptive, cohort study design was used in ED patients to determine whether the risk of ACS was reduced in patients who self-reported regular exercise. There were 1093 patients enrolled. Median (interquartile range) age was 57 (48-67) years; 506 (45.7%) were female. ACS was diagnosed in 248 (22.7%) patients. Patients who did not exercise at least monthly were more likely to be diagnosed with ACS than those who did (129/466 [27.7%] vs. 119/627 [19.0%]; odds ratio 1.63, 95% CI 1.23-2.17). After adjusting for age, gender, body mass index, smoking, and prior history, limited exercise was still associated with ACS (adjusted odds ratio 1.52, 95% CI 1.10-2.10). There was no apparent association between frequency and intensity of exercise and risk of ACS. Although self-reported frequency of exercise was significantly associated with a decrease in ACS in ED patients with chest pain, it should not be used to exclude ACS in symptomatic ED patients. Copyright © 2013 Elsevier Inc. All rights reserved.

Quantum motion on a torus as a submanifold problem in a generalized Dirac's theory of second-class constraints

NASA Astrophysics Data System (ADS)

Xun, D. M.; Liu, Q. H.; Zhu, X. M.

2013-11-01

A generalization of Dirac's canonical quantization scheme for a system with second-class constraints is proposed, in which the fundamental commutation relations are constituted by all commutators between positions, momenta and Hamiltonian, so they are simultaneously quantized in a self-consistent manner, rather than by those between merely positions and momenta which leads to ambiguous forms of the Hamiltonian and the momenta. The application of the generalized scheme to the quantum motion on a torus leads to a remarkable result: the quantum theory is inconsistent if built up in an intrinsic geometric manner, whereas it becomes consistent within an extrinsic examination of the torus as a submanifold in three dimensional flat space with the use of the Cartesian coordinate system. The geometric momentum and potential are then reasonably reproduced.

Guided self-assembly of lateral InAs/GaAs quantum-dot molecules for single molecule spectroscopy

PubMed Central

Wang, L; Kiravittaya, S; Songmuang, R; Schmidt, OG; Krause, B; Metzger, TH

2006-01-01

We report on the growth and characterization of lateral InAs/GaAs (001) quantum-dot molecules (QDMs) suitable for single QDM optical spectroscopy. The QDMs, forming by depositing InAs on GaAs surfaces with self-assembled nanoholes, are aligned along the [] direction. The relative number of isolated single quantum dots (QDs) is substantially reduced by performing the growth on GaAs surfaces containing stepped mounds. Surface morphology and X-ray measurements suggest that the strain produced by InGaAs-filled nanoholes superimposed to the strain relaxation at the step edges are responsible for the improved QDM properties. QDMs are Ga-richer compared to single QDs, consistent with strain- enhanced intermixing. The high optical quality of single QDMs is probed by micro-photoluminescence spectroscopy in samples with QDM densities lower than 108 cm−2.

Quantum-ring spin interference device tuned by quantum point contacts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Diago-Cisneros, Leo; Mireles, Francisco

2013-11-21

We introduce a spin-interference device that comprises a quantum ring (QR) with three embedded quantum point contacts (QPCs) and study theoretically its spin transport properties in the presence of Rashba spin-orbit interaction. Two of the QPCs conform the lead-to-ring junctions while a third one is placed symmetrically in the upper arm of the QR. Using an appropriate scattering model for the QPCs and the S-matrix scattering approach, we analyze the role of the QPCs on the Aharonov-Bohm (AB) and Aharonov-Casher (AC) conductance oscillations of the QR-device. Exact formulas are obtained for the spin-resolved conductances of the QR-device as a functionmore » of the confinement of the QPCs and the AB/AC phases. Conditions for the appearance of resonances and anti-resonances in the spin-conductance are derived and discussed. We predict very distinctive variations of the QR-conductance oscillations not seen in previous QR proposals. In particular, we find that the interference pattern in the QR can be manipulated to a large extend by varying electrically the lead-to-ring topological parameters. The latter can be used to modulate the AB and AC phases by applying gate voltage only. We have shown also that the conductance oscillations exhibits a crossover to well-defined resonances as the lateral QPC confinement strength is increased, mapping the eigenenergies of the QR. In addition, unique features of the conductance arise by varying the aperture of the upper-arm QPC and the Rashba spin-orbit coupling. Our results may be of relevance for promising spin-orbitronics devices based on quantum interference mechanisms.« less

A Simulation Model for Drift Resistive Ballooning Turbulence Examining the Influence of Self-consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim; Joseph, Ilon

2015-11-01

Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).

Internal friction and dislocation collective pinning in disordered quenched solid solutions

NASA Astrophysics Data System (ADS)

D'Anna, G.; Benoit, W.; Vinokur, V. M.

1997-12-01

We introduce the collective pinning of dislocations in disordered quenched solid solutions and calculate the macroscopic mechanical response to a small dc or ac applied stress. This work is a generalization of the Granato-Lücke string model, able to describe self-consistently short and long range dislocation motion. Under dc applied stress the long distance dislocation creep has at the microscopic level avalanche features, which result in a macroscopic nonlinear "glassy" velocity-stress characteristic. Under ac conditions the model predicts, in addition to the anelastic internal friction relaxation in the high frequency regime, a linear internal friction background which remains amplitude-independent down to a crossover frequency to a strongly nonlinear internal friction regime.

Is low affect consciousness related to the severity of psychopathology? A cross-sectional study of patients with avoidant and borderline personality disorder.

PubMed

Normann-Eide, Eivind; Johansen, Merete Selsbakk; Normann-Eide, Tone; Egeland, Jens; Wilberg, Theresa

2013-02-01

This study examined the relationships between affect consciousness (AC) and symptom distress, interpersonal problems, low self-esteem, and the number of PD traits in patients with avoidant personality disorder (APD) and borderline personality disorder (BPD). Within the setting of a treatment trial, 52 patients with APD or BPD were examined with structured interviews and self-report questionnaires before treatment and at 3-year follow-up. The evaluations included the Affect Consciousness Interview, the SCID-II interview, the Symptom Checklist 90-R, the Circumplex of Interpersonal Problems, and the Index of Self-esteem. A low global level of AC was expected to be associated with the severity of psychopathology; a low AC for interest, joy, and tenderness was expected to be associated with social detachment; and a low AC for anger, contempt, and disgust was expected to be associated with nonassertiveness. A low AC was associated with interpersonal problems and low self-esteem, but not symptom distress or the number of fulfilled SCID-II criteria. Despite a significant reduction in the psychopathology based on most clinical variables, the associations measured at baseline were maintained after 3years. Examination of specific affect categories showed a pattern of convergent and discriminative relationships with different types of interpersonal problems. A low AC for pleasant affects was specifically related to communion problems, like cold, detached behavior, both at baseline and follow-up. In contrast, a low AC for self-boundary affects was specifically related to agency problems, like non-assertiveness, at follow-up. Our results showed that a low AC was associated with central domains of psychopathology in patients with PDs. This suggested that AC would be an important focus for treatment and further research in PDs. Future studies are needed to examine how AC is related to various forms of personality pathology. Copyright © 2013 Elsevier Inc. All rights reserved.

Effects of crystalline electronic field and onsite interorbital interaction in Yb-based quasicrystal and approximant crystal.

PubMed

Watanabe, Shinji; Miyake, Kazumasa

2018-05-10

To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb 15 Al 34 Au 51 and approximant crystal (AC) Yb 14 Al 35 Au 51 under pressure, we discuss the property of the crystalline electronic field (CEF) at Yb in the AC and show that uneven CEF levels at each Yb site can appear because of the Al/Au mixed sites. Then we construct the minimal model for the electronic state on the AC by introducing the onsite Coulomb repulsion between the 4f and 5d orbitals at Yb. Numerical calculations for the ground state shows that the lattice constant dependence of the Yb valence well explains the recent measurement done by systematic substitution of elements of Al and Au in the quasicrystal and AC, where the quasicrystal Yb 15 Al 34 Au 51 is just located at the point from where the Yb-valence starts to change drastically. Our calculation convincingly demonstrates that this is indeed the evidence that this material is just located at the quantum critical point of the Yb-valence transition.

Effects of crystalline electronic field and onsite interorbital interaction in Yb-based quasicrystal and approximant crystal

NASA Astrophysics Data System (ADS)

Watanabe, Shinji; Miyake, Kazumasa

2018-05-01

To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb15Al34Au51 and approximant crystal (AC) Yb14Al35Au51 under pressure, we discuss the property of the crystalline electronic field (CEF) at Yb in the AC and show that uneven CEF levels at each Yb site can appear because of the Al/Au mixed sites. Then we construct the minimal model for the electronic state on the AC by introducing the onsite Coulomb repulsion between the 4f and 5d orbitals at Yb. Numerical calculations for the ground state shows that the lattice constant dependence of the Yb valence well explains the recent measurement done by systematic substitution of elements of Al and Au in the quasicrystal and AC, where the quasicrystal Yb15Al34Au51 is just located at the point from where the Yb-valence starts to change drastically. Our calculation convincingly demonstrates that this is indeed the evidence that this material is just located at the quantum critical point of the Yb-valence transition.

Quantum Hall effect in ac driven graphene: From the half-integer to the integer case

NASA Astrophysics Data System (ADS)

Ding, Kai-He; Lim, Lih-King; Su, Gang; Weng, Zheng-Yu

2018-01-01

We theoretically study the quantum Hall effect (QHE) in graphene with an ac electric field. Based on the tight-binding model, the structure of the half-integer Hall plateaus at σxy=±(n +1 /2 ) 4 e2/h (n is an integer) gets qualitatively changed with the addition of new integer Hall plateaus at σxy=±n (4 e2/h ) starting from the edges of the band center regime towards the band center with an increasing ac field. Beyond a critical field strength, a Hall plateau with σxy=0 can be realized at the band center, hence fully restoring a conventional integer QHE with particle-hole symmetry. Within a low-energy Hamiltonian for Dirac cones merging, we show a very good agreement with the tight-binding calculations for the Hall plateau transitions. We also obtain the band structure for driven graphene ribbons to provide a further understanding on the appearance of the new Hall plateaus, showing a trivial insulator behavior for the σxy=0 state. In the presence of disorder, we numerically study the disorder-induced destruction of the quantum Hall states in a finite driven sample and find that qualitative features known in the undriven disordered case are maintained.

Reviving Complementarity: John Wheeler's efforts to apply complementarity toward a quantum description of gravitation

NASA Astrophysics Data System (ADS)

Halpern, Paul

2017-01-01

In 1978, John Wheeler proposed the delayed-choice thought experiment as a generalization of the classic double slit experiment intended to help elucidate the nature of decision making in quantum measurement. In particular, he wished to illustrate how a decision made after a quantum system was prepared might retrospectively affect the outcome. He extended his methods to the universe itself, raising the question of whether the universe is a ``self-excited circuit'' in which scientific measurements in the present affect the quantum dynamics in the past. In this talk we'll show how Wheeler's approach revived the notion of Bohr's complementarity, which had by then faded from the prevailing discourse of quantum measurement theory. Wheeler's advocacy reflected, in part, his wish to eliminate the divide in quantum theory between measurer and what was being measured, bringing greater consistency to the ideas of Bohr, a mentor whom he deeply respected.

Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Kolokolov, Kanstantin I.; Ning, Cun-Zheng

2003-01-01

Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

On the theory of quantum measurement

NASA Technical Reports Server (NTRS)

Haus, Hermann A.; Kaertner, Franz X.

1994-01-01

Many so called paradoxes of quantum mechanics are clarified when the measurement equipment is treated as a quantized system. Every measurement involves nonlinear processes. Self consistent formulations of nonlinear quantum optics are relatively simple. Hence optical measurements, such as the quantum nondemolition (QND) measurement of photon number, are particularly well suited for such a treatment. It shows that the so called 'collapse of the wave function' is not needed for the interpretation of the measurement process. Coherence of the density matrix of the signal is progressively reduced with increasing accuracy of the photon number determination. If the QND measurement is incorporated into the double slit experiment, the contrast ratio of the fringes is found to decrease with increasing information on the photon number in one of the two paths.

Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christov, Ivan P., E-mail: ivan.christov@phys.uni-sofia.bg

2016-08-15

In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the realmore » time propagation can be a challenge.« less

Ion Channel Conductance Measurements on a Silicon-Based Platform

DTIC Science & Technology

2006-01-01

calculated using the molecular dynamics code, GROMACS . Reasonable agreement is obtained in the simulated versus measured conductance over the range of...measurements of the lipid giga-seal characteristics have been performed, including AC conductance measurements and statistical analysis in order to...Dynamics kernel self-consistently coupled to Poisson equations using a P3M force field scheme and the GROMACS description of protein structure and

Self-assembled pH-sensitive cholesteryl pullulan nanogel as a protein delivery vehicle.

PubMed

Morimoto, Nobuyuki; Hirano, Sayaka; Takahashi, Haruko; Loethen, Scott; Thompson, David H; Akiyoshi, Kazunari

2013-01-14

A self-assembled nanogel, derived from an acid-labile cholesteryl-modified pullulan (acL-CHP), was prepared by grafting vinyl ether-cholesterol substituents onto a 100 kD pullulan main chain polymer backbone. Stable nanogels are formed by acL-CHP self-assemblies at neutral pH. The hydrodynamic radius of the nanogels, observed to be 26.5 ± 5.1 nm at pH 7.0, increased by ~135% upon acidification of the solution to pH 4.0. SEC analysis of the acL-CHP nanogel at pH 4.0 showed that the grafts were nearly 80% degraded after 24 h, whereas little or no degradation was observed over the same time period for a pH stable analog (acS-CHP) at pH 4.0 or the acL-CHP at pH 7.0. Complexation of BSA with the acL-CHP nanogel was observed at pH 7.0 with subsequent release of the protein upon acidification. These findings suggest that stimuli-responsive, self-assembled nanogels can release protein cargo in a manner that is controlled by the degradation rate of the cholesterol-pullulan grafting moiety.

Charge transport and ac response under light illumination in gate-modulated DNA molecular junctions.

PubMed

Zhang, Yan; Zhu, Wen-Huan; Ding, Guo-Hui; Dong, Bing; Wang, Xue-Feng

2015-05-22

Using a two-strand tight-binding model and within nonequilibrium Green's function approach, we study charge transport through DNA sequences (GC)NGC and (GC)1(TA)NTA (GC)3 sandwiched between two Pt electrodes. We show that at low temperature DNA sequence (GC)NGC exhibits coherent charge carrier transport at very small bias, since the highest occupied molecular orbital in the GC base pair can be aligned with the Fermi energy of the metallic electrodes by a gate voltage. A weak distance dependent conductance is found in DNA sequence (GC)1(TA)NTA (GC)3 with large NTA. Different from the mechanism of thermally induced hopping of charges proposed by the previous experiments, we find that this phenomenon is dominated by quantum tunnelling through discrete quantum well states in the TA base pairs. In addition, ac response of this DNA junction under light illumination is also investigated. The suppression of ac conductances of the left and right lead of DNA sequences at some particular frequencies is attributed to the excitation of electrons in the DNA to the lead Fermi surface by ac potential, or the excitation of electrons in deep DNA energy levels to partially occupied energy levels in the transport window. Therefore, measuring ac response of DNA junctions can reveal a wealth of information about the intrinsic dynamics of DNA molecules.

Quantum Confined Semiconductors

DTIC Science & Technology

2015-02-01

diodes [8-10], metamaterials [11-13], and solar cells [14,15]. As a consequence, the optical and electrical stability of colloidal quantum dots...PbS quantum dot solar cells with high fill factor,” ACS Nano, 4 (7), 3743–3752 (2010). [15] Gur, I., Fromer, N. A., Geier, M. L. and Alivisatos, A...P., “Air-stable all-inorganic nanocrystal solar cells processed from solution,” Sci. 310, 462–465 (2005). [16] Dai, Q., Wang, Y. N., Zhang, Y

Judgement of Breath Alcohol Concentration Levels Among Pedestrians in the Night-Time Economy-A Street-Intercept Field Study.

PubMed

Cameron, M P; Roskruge, M J; Droste, N; Miller, P G

2018-05-01

To evaluate how well people in the night-time economy can assess their own breath alcohol concentration (BrAC), in the context of a change in breath alcohol limits for driving. We conducted a field study of 242 participants over 5 nights in the central business district of a university town in New Zealand. Participants completed a short survey, which included questions on their self-reported level of intoxication and the self-estimated BrAC. At the conclusion of the interview each participant was breath-tested. We compared actual and self-estimated BrAC using a scatter plot and multiple regression methods. The average BrAC error was 61.7 μg/l, meaning that on average participants overestimate their BrAC. Participants with a BrAC below 487 μg/l tended to overestimate their BrAC on average, and those with a BrAC above 487 μg/l tended to underestimate their BrAC on average. Regression results supported this observation, but also found that men who are not 'out on a typical night' overestimate their BrAC by more. Drinkers in this naturalistic setting have little idea of their level of intoxication, as measured by BrAC. However, this uncertainty may be advantageous to public health outcomes, since if drinkers are uncertain about their level of intoxication relative to the legal limit, this may lead them to avoid drunk driving. A field study of drinkers in the night-time economy of a New Zealand university town was conducted to evaluate how well drinkers can assess their breath alcohol concentration (BrAC). Drinkers in this setting inaccurately estimate their intoxication, and those with higher BrAC tended to underestimate their BrAC on average.

Ab initio quantum chemistry: methodology and applications.

PubMed

Friesner, Richard A

2005-05-10

This Perspective provides an overview of state-of-the-art ab initio quantum chemical methodology and applications. The methods that are discussed include coupled cluster theory, localized second-order Moller-Plesset perturbation theory, multireference perturbation approaches, and density functional theory. The accuracy of each approach for key chemical properties is summarized, and the computational performance is analyzed, emphasizing significant advances in algorithms and implementation over the past decade. Incorporation of a condensed-phase environment by means of mixed quantum mechanical/molecular mechanics or self-consistent reaction field techniques, is presented. A wide range of illustrative applications, focusing on materials science and biology, are discussed briefly.

Quantum dot rolled-up microtube optoelectronic integrated circuit.

PubMed

Bhowmick, Sishir; Frost, Thomas; Bhattacharya, Pallab

2013-05-15

A rolled-up microtube optoelectronic integrated circuit operating as a phototransceiver is demonstrated. The microtube is made of a InGaAs/GaAs strained bilayer with InAs self-organized quantum dots inserted in the GaAs layer. The phototransceiver consists of an optically pumped microtube laser and a microtube photoconductive detector connected by an a-Si/SiO2 waveguide. The loss in the waveguide and responsivity of the entire phototransceiver circuit are 7.96 dB/cm and 34 mA/W, respectively.

Quantum electron levels in the field of a charged black hole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dokuchaev, V. I.; Eroshenko, Yu. N., E-mail: eroshenko@ms2.inr.ac.ru

2015-12-15

Stationary solutions of the Dirac equation in the metric of the charged Reissner–Nordstrom black hole are found. In the case of an extremal black hole, the normalization integral of the wave functions is finite, and the regular stationary solution is physically self-consistent. The presence of quantum electron levels under the Cauchy horizon can have an impact on the final stage of the Hawking evaporation of the black hole, as well as on the particle scattering in the field of the black hole.

Generating and using truly random quantum states in Mathematica

NASA Astrophysics Data System (ADS)

Miszczak, Jarosław Adam

2012-01-01

The problem of generating random quantum states is of a great interest from the quantum information theory point of view. In this paper we present a package for Mathematica computing system harnessing a specific piece of hardware, namely Quantis quantum random number generator (QRNG), for investigating statistical properties of quantum states. The described package implements a number of functions for generating random states, which use Quantis QRNG as a source of randomness. It also provides procedures which can be used in simulations not related directly to quantum information processing. Program summaryProgram title: TRQS Catalogue identifier: AEKA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 7924 No. of bytes in distributed program, including test data, etc.: 88 651 Distribution format: tar.gz Programming language: Mathematica, C Computer: Requires a Quantis quantum random number generator (QRNG, http://www.idquantique.com/true-random-number-generator/products-overview.html) and supporting a recent version of Mathematica Operating system: Any platform supporting Mathematica; tested with GNU/Linux (32 and 64 bit) RAM: Case dependent Classification: 4.15 Nature of problem: Generation of random density matrices. Solution method: Use of a physical quantum random number generator. Running time: Generating 100 random numbers takes about 1 second, generating 1000 random density matrices takes more than a minute.

CUGatesDensity—Quantum circuit analyser extended to density matrices

NASA Astrophysics Data System (ADS)

Loke, T.; Wang, J. B.

2013-12-01

CUGatesDensity is an extension of the original quantum circuit analyser CUGates (Loke and Wang, 2011) [7] to provide explicit support for the use of density matrices. The new package enables simulation of quantum circuits involving statistical ensemble of mixed quantum states. Such analysis is of vital importance in dealing with quantum decoherence, measurements, noise and error correction, and fault tolerant computation. Several examples involving mixed state quantum computation are presented to illustrate the use of this package. Catalogue identifier: AEPY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEPY_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5368 No. of bytes in distributed program, including test data, etc.: 143994 Distribution format: tar.gz Programming language: Mathematica. Computer: Any computer installed with a copy of Mathematica 6.0 or higher. Operating system: Any system with a copy of Mathematica 6.0 or higher installed. Classification: 4.15. Nature of problem: To simulate arbitrarily complex quantum circuits comprised of single/multiple qubit and qudit quantum gates with mixed state registers. Solution method: A density matrix representation for mixed states and a state vector representation for pure states are used. The construct is based on an irreducible form of matrix decomposition, which allows a highly efficient implementation of general controlled gates with multiple conditionals. Running time: The examples provided in the notebook CUGatesDensity.nb take approximately 30 s to run on a laptop PC.

Open release of the DCA++ project

NASA Astrophysics Data System (ADS)

Haehner, Urs; Solca, Raffaele; Staar, Peter; Alvarez, Gonzalo; Maier, Thomas; Summers, Michael; Schulthess, Thomas

We present the first open release of the DCA++ project, a highly scalable and efficient research code to solve quantum many-body problems with cutting edge quantum cluster algorithms. The implemented dynamical cluster approximation (DCA) and its DCA+ extension with a continuous self-energy capture nonlocal correlations in strongly correlated electron systems thereby allowing insight into high-Tc superconductivity. With the increasing heterogeneity of modern machines, DCA++ provides portable performance on conventional and emerging new architectures, such as hybrid CPU-GPU and Xeon Phi, sustaining multiple petaflops on ORNL's Titan and CSCS' Piz Daint. Moreover, we will describe how best practices in software engineering can be applied to make software development sustainable and scalable in a research group. Software testing and documentation not only prevent productivity collapse, but more importantly, they are necessary for correctness, credibility and reproducibility of scientific results. This research used resources of the Oak Ridge Leadership Computing Facility (OLCF) awarded by the INCITE program, and of the Swiss National Supercomputing Center. OLCF is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

Novel Ultrahigh Vacuum System for Chip-Scale Trapped Ion Quantum Computing

NASA Astrophysics Data System (ADS)

Chen, Shaw-Pin; Trapped Team

2011-05-01

This presentation reports the experimental results of an ultrahigh vacuum (UHV) system as a scheme to implement scalable trapped-ion quantum computers that use micro-fabricated ion traps as fundamental building blocks. The novelty of this system resides in our design, material selection, mechanical liability, low complexity of assembly, and reduced signal interference between DC and RF electrodes. Our system utilizes RF isolation and onsite-filtering topologies to attenuate AC signals generated from the resonator. We use a UHV compatible printed circuit board (PCB) material to perform DC routing, while the RF high and RF ground received separated routing via wire-wrapping. The standard PCB fabrication process enabled us to implement ceramic-based filter components adjacent to the chip trap. The DC electrodes are connected to air-side electrical feed through using four 25D adaptors made with polyether ether ketone (PEEK). The assembly process of this system is straight forward and in-chamber structure is self-supporting. We report on initial testing of this concept with a linear chip trap fabricated by the Sandia National Labs.

Prefrontal Function Engaging in External-Focused Attention in 5- to 6-Month-Old Infants: A Suggestion for Default Mode Network.

PubMed

Xu, Mingdi; Hoshino, Eiichi; Yatabe, Kiyomi; Matsuda, Soichiro; Sato, Hiroki; Maki, Atsushi; Yoshimura, Mina; Minagawa, Yasuyo

2016-01-01

The present study used functional near-infrared spectroscopy (fNIRS) to measure 5- to 6-month-old infants' hemodynamic response in the prefrontal cortex (PFC) to visual stimuli differing in saliency and social value. Nineteen Japanese 5- to 6-month-old infants watched video clips of Peek-a-Boo (social signal) performed by an anime character (AC) or a human, and hand movements without social signal performed by an AC. The PFC activity of infants was measured by 22-channel fNIRS, while behaviors including looking time were recorded simultaneously. NIRS data showed that infants' hemodynamic responses in the PFC generally decreased due to these stimuli, and the decrease was most prominent in the frontopolar (FP), covering medial PFC (MPFC), when infants were viewing Peek-a-Boo performed by an AC. Moreover, the decrease was more pronounced in the dorsolateral PFC (DLPFC) when infants were viewing Peek-a-Boo performed by an AC than by a human. Accordingly, behavioral data revealed significantly longer looking times when Peek-a-Boo was performed by an AC than by a human. No significant difference between Peek-a-Boo and non-Peek-a-Boo conditions was observed in either measure. These findings indicate that infants at this age may prefer stimuli with more salient features, which may be more effective in attracting their attentions. In conjunction with our previous findings on responses to self-name calling in infants of similar age, we hypothesize that the dynamic function of the MPFC and its vicinity (as part of default mode network (DMN): enhanced by self-focused stimuli, attenuated by externally focused stimuli), which is consistently observed in adults, may have already emerged in 5- to 6-month-old infants.

Prefrontal Function Engaging in External-Focused Attention in 5- to 6-Month-Old Infants: A Suggestion for Default Mode Network

PubMed Central

Xu, Mingdi; Hoshino, Eiichi; Yatabe, Kiyomi; Matsuda, Soichiro; Sato, Hiroki; Maki, Atsushi; Yoshimura, Mina; Minagawa, Yasuyo

2017-01-01

The present study used functional near-infrared spectroscopy (fNIRS) to measure 5- to 6-month-old infants’ hemodynamic response in the prefrontal cortex (PFC) to visual stimuli differing in saliency and social value. Nineteen Japanese 5- to 6-month-old infants watched video clips of Peek-a-Boo (social signal) performed by an anime character (AC) or a human, and hand movements without social signal performed by an AC. The PFC activity of infants was measured by 22-channel fNIRS, while behaviors including looking time were recorded simultaneously. NIRS data showed that infants’ hemodynamic responses in the PFC generally decreased due to these stimuli, and the decrease was most prominent in the frontopolar (FP), covering medial PFC (MPFC), when infants were viewing Peek-a-Boo performed by an AC. Moreover, the decrease was more pronounced in the dorsolateral PFC (DLPFC) when infants were viewing Peek-a-Boo performed by an AC than by a human. Accordingly, behavioral data revealed significantly longer looking times when Peek-a-Boo was performed by an AC than by a human. No significant difference between Peek-a-Boo and non-Peek-a-Boo conditions was observed in either measure. These findings indicate that infants at this age may prefer stimuli with more salient features, which may be more effective in attracting their attentions. In conjunction with our previous findings on responses to self-name calling in infants of similar age, we hypothesize that the dynamic function of the MPFC and its vicinity (as part of default mode network (DMN): enhanced by self-focused stimuli, attenuated by externally focused stimuli), which is consistently observed in adults, may have already emerged in 5- to 6-month-old infants. PMID:28119586

Live visualizations of single isolated tubulin protein self-assembly via tunneling current: effect of electromagnetic pumping during spontaneous growth of microtubule.

PubMed

Sahu, Satyajit; Ghosh, Subrata; Fujita, Daisuke; Bandyopadhyay, Anirban

2014-12-03

As we bring tubulin protein molecules one by one into the vicinity, they self-assemble and entire event we capture live via quantum tunneling. We observe how these molecules form a linear chain and then chains self-assemble into 2D sheet, an essential for microtubule, --fundamental nano-tube in a cellular life form. Even without using GTP, or any chemical reaction, but applying particular ac signal using specially designed antenna around atomic sharp tip we could carry out the self-assembly, however, if there is no electromagnetic pumping, no self-assembly is observed. In order to verify this atomic scale observation, we have built an artificial cell-like environment with nano-scale engineering and repeated spontaneous growth of tubulin protein to its complex with and without electromagnetic signal. We used 64 combinations of plant, animal and fungi tubulins and several doping molecules used as drug, and repeatedly observed that the long reported common frequency region where protein folds mechanically and its structures vibrate electromagnetically. Under pumping, the growth process exhibits a unique organized behavior unprecedented otherwise. Thus, "common frequency point" is proposed as a tool to regulate protein complex related diseases in the future.

Live visualizations of single isolated tubulin protein self-assembly via tunneling current: effect of electromagnetic pumping during spontaneous growth of microtubule

PubMed Central

Sahu, Satyajit; Ghosh, Subrata; Fujita, Daisuke; Bandyopadhyay, Anirban

2014-01-01

As we bring tubulin protein molecules one by one into the vicinity, they self-assemble and entire event we capture live via quantum tunneling. We observe how these molecules form a linear chain and then chains self-assemble into 2D sheet, an essential for microtubule, —fundamental nano-tube in a cellular life form. Even without using GTP, or any chemical reaction, but applying particular ac signal using specially designed antenna around atomic sharp tip we could carry out the self-assembly, however, if there is no electromagnetic pumping, no self-assembly is observed. In order to verify this atomic scale observation, we have built an artificial cell-like environment with nano-scale engineering and repeated spontaneous growth of tubulin protein to its complex with and without electromagnetic signal. We used 64 combinations of plant, animal and fungi tubulins and several doping molecules used as drug, and repeatedly observed that the long reported common frequency region where protein folds mechanically and its structures vibrate electromagnetically. Under pumping, the growth process exhibits a unique organized behavior unprecedented otherwise. Thus, “common frequency point” is proposed as a tool to regulate protein complex related diseases in the future. PMID:25466883

Application of a self-consistent NEGF procedure to study the coherent transport with phase breaking scattering in low dimensional systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratap, Surender, E-mail: surender.pratap@pilani.bits-pilani.ac.in; Sarkar, Niladri, E-mail: niladri@pilani.bits-pilani.ac.in

2016-04-13

We have studied Quantum Transport with dephasing in Low Dimensional systems. Here, we apply a self-consistent NEGF procedure to study the transport mechanism in low-dimensional systems with phase breaking scatterers. Under this we have determined the transmission coefficient of a very small Multi-Moded Nanowire which is under a small bias potential of few meV. We have calculated the transmission of this device first with no scatterers. Then we have introduced scatterers in the device and calculated the transmission for the device.

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction.

PubMed

Granovsky, Alexander A

2015-12-21

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation.

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Granovsky, Alexander A., E-mail: alex.granovsky@gmail.com

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation.

Theoretical studies of electronically excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Besley, Nicholas A.

2014-10-06

Time-dependent density functional theory is the most widely used quantum chemical method for studying molecules in electronically excited states. However, excited states can also be computed within Kohn-Sham density functional theory by exploiting methods that converge the self-consistent field equations to give excited state solutions. The usefulness of single reference self-consistent field based approaches for studying excited states is demonstrated by considering the calculation of several types of spectroscopy including the infrared spectroscopy of molecules in an electronically excited state, the rovibrational spectrum of the NO-Ar complex, core electron binding energies and the emission spectroscopy of BODIPY in water.

Proactive learning for artificial cognitive systems

NASA Astrophysics Data System (ADS)

Lee, Soo-Young

2010-04-01

The Artificial Cognitive Systems (ACS) will be developed for human-like functions such as vision, auditory, inference, and behavior. Especially, computational models and artificial HW/SW systems will be devised for Proactive Learning (PL) and Self-Identity (SI). The PL model provides bilateral interactions between robot and unknown environment (people, other robots, cyberspace). For the situation awareness in unknown environment it is required to receive audiovisual signals and to accumulate knowledge. If the knowledge is not enough, the PL should improve by itself though internet and others. For human-oriented decision making it is also required for the robot to have self-identify and emotion. Finally, the developed models and system will be mounted on a robot for the human-robot co-existing society. The developed ACS will be tested against the new Turing Test for the situation awareness. The Test problems will consist of several video clips, and the performance of the ACSs will be compared against those of human with several levels of cognitive ability.

Thermally Assisted Macroscopic Quantum Resonance on a Single-Crystal of Mn12-ac

NASA Astrophysics Data System (ADS)

Lionti, F.; Thomas, L.; Ballou, R.; Wernsdorfer, W.; Barbara, B.; Sulpice, A.; Sessoli, R.; Gatteschi, D.

1997-03-01

Magnetization measurements have been performed on a single mono-crystal of the molecule Mn12-acetate (L. Thomas, F. Lionti, R. Ballou, R. Sessoli, D. Gatteschi and B. Barbara, Nature, 383, 145 (1996).). Steps were observed in the hysteresis loop for values of the applied field at which level crossings of the collective spin states of each manganese clusters take place. The influence of quartic terms is taken into account. At these fields, the magnetization relaxes at short time scales, being otherwise essentially blocked. This novel behavior is interpreted in terms of resonant quantum tunneling of the magnetization from thermally activated energy levels. Hysteresis loop measurements performed for different field orientations and ac-susceptibility experiments, confirm general trends of this picture.

Demonstration of an ac Josephson junction laser

NASA Astrophysics Data System (ADS)

Cassidy, M. C.; Bruno, A.; Rubbert, S.; Irfan, M.; Kammhuber, J.; Schouten, R. N.; Akhmerov, A. R.; Kouwenhoven, L. P.

2017-03-01

Superconducting electronic devices have reemerged as contenders for both classical and quantum computing due to their fast operation speeds, low dissipation, and long coherence times. An ultimate demonstration of coherence is lasing. We use one of the fundamental aspects of superconductivity, the ac Josephson effect, to demonstrate a laser made from a Josephson junction strongly coupled to a multimode superconducting cavity. A dc voltage bias applied across the junction provides a source of microwave photons, and the circuit’s nonlinearity allows for efficient down-conversion of higher-order Josephson frequencies to the cavity’s fundamental mode. The simple fabrication and operation allows for easy integration with a range of quantum devices, allowing for efficient on-chip generation of coherent microwave photons at low temperatures.

Quasi-stationary states and fermion pair creation from a vacuum in supercritical Coulomb field

NASA Astrophysics Data System (ADS)

Khalilov, V. R.

2017-12-01

Creation of charged fermion pair from a vacuum in so-called supercritical Coulomb potential is examined for the case when fermions can move only in the same (one) plane. In which case, quantum dynamics of charged massive or massless fermions can be described by the two-dimensional Dirac Hamiltonians with an usual (-a/r) Coulomb potential. These Hamiltonians are singular and require the additional definition in order for them to be treated as self-adjoint quantum-mechanical operators. We construct the self-adjoint two-dimensional Dirac Hamiltonians with a Coulomb potential and determine the quantum-mechanical states for such Hamiltonians in the corresponding Hilbert spaces of square-integrable functions. We determine the scattering amplitude in which the self-adjoint extension parameter is incorporated and then obtain equations implicitly defining possible discrete energy spectra of the self-adjoint Dirac Hamiltonians with a Coulomb potential. It is shown that this quantum system becomes unstable in the presence of a supercritical Coulomb potential which manifests in the appearance of quasi-stationary states in the lower (negative) energy continuum. The energy spectrum of those states is quasi-discrete, consists of broadened levels with widths related to the inverse lifetimes of the quasi-stationary states as well as the probability of creation of charged fermion pair by a supercritical Coulomb field. Explicit analytical expressions for the creation probabilities of charged (massive or massless) fermion pair are obtained in a supercritical Coulomb field.

Optical forces, torques, and force densities calculated at a microscopic level using a self-consistent hydrodynamics method

NASA Astrophysics Data System (ADS)

Ding, Kun; Chan, C. T.

2018-04-01

The calculation of optical force density distribution inside a material is challenging at the nanoscale, where quantum and nonlocal effects emerge and macroscopic parameters such as permittivity become ill-defined. We demonstrate that the microscopic optical force density of nanoplasmonic systems can be defined and calculated using the microscopic fields generated using a self-consistent hydrodynamics model that includes quantum, nonlocal, and retardation effects. We demonstrate this technique by calculating the microscopic optical force density distributions and the optical binding force induced by external light on nanoplasmonic dimers. This approach works even in the limit when the nanoparticles are close enough to each other so that electron tunneling occurs, a regime in which classical electromagnetic approach fails completely. We discover that an uneven distribution of optical force density can lead to a light-induced spinning torque acting on individual particles. The hydrodynamics method offers us an accurate and efficient approach to study optomechanical behavior for plasmonic systems at the nanoscale.

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganesh, P.; Kim, Jeongnim; Park, Changwon

2014-11-03

In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based onmore » point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.« less

Self-consistent electro-opto-thermal model of quantum cascade lasers with coupled electron and phonon interactions far from equilibrium

NASA Astrophysics Data System (ADS)

Yousefvand, Hossein Reza

2017-12-01

A self-consistent model of quantum cascade lasers (QCLs) is presented here for the study of the QCL's behavior in the far from equilibrium conditions. The approach is developed by employing a number of physics-based models such as the carrier and photon rate equations, the energy balance equation, the heat transfer equation and a simplified rate equation for the creation and annihilation of nonequilibrium optical phonons. The temperature dependency of the relevant physical effects such as stimulated gain cross section, longitudinal optical (LO) phonons and hot-phonon generation rates are included in the model. Using the presented model, the static and transient device characteristics are calculated and analyzed for a wide range of heat sink temperatures. Besides the output characteristics, this model also provides a way to study the hot-phonon dynamics in the device, and to explore the electron temperature and thermal roll-over in the QCLs.

A tunable microstrip SQUID amplifier for the Axion Dark Matter eXperiment (ADMX)

NASA Astrophysics Data System (ADS)

O'Kelley, Sean; Hansen, Jorn; Weingarten, Elan; Mueck, Michael; Hilton, Gene; Clarke, John

2014-03-01

We describe a microstrip SQUID (Superconducting QUantum Interference Device) amplifier (MSA) used as the photon detector in the Axion Dark Matter eXperiment (ADMX). Cooled to 100 mK or lower, an optimized MSA approaches the quantum limit of detection. The axion dark matter is detected via Primakoff conversion to a microwave photon in a high-Q (~ 105) tunable microwave cavity, currently cooled to about 1.6 K, in the presence of a 7-tesla magnetic field. The MSA consists of a square loop of thin Nb film, incorporating two Josephson tunnel junctions with resistive shunts to prevent hysteresis in the current-voltage characteristic. The microstrip is a square Nb coil deposited over an intervening insulating layer. Since the photon frequency is determined by the unknown axion mass, the cavity and amplifier must be tunable over a broad frequency range. Tunability is achieved by terminating the microstrip with a GaAs varactor diode with a voltage-controlled capacitance that enables us to vary the resonance from nearly 1/2 to 1/4 of a wavelength. With the SQUID current-biased in the voltage state, we demonstrate a gain of typically 20 dB over nearly one octave, 415 MHz to 800 MHz. Supported by DOE Grants DE-FG02-97ER41029, DE-FG02-96ER40956, DE-AC52-07NA27344, DE-AC03-76SF00098, NSF grants PHY-1067242 and PHY-1306729, and the Livermore LDRD program.

Molecular engineering with artificial atoms: designing a material platform for scalable quantum spintronics and photonics

NASA Astrophysics Data System (ADS)

Doty, Matthew F.; Ma, Xiangyu; Zide, Joshua M. O.; Bryant, Garnett W.

2017-09-01

Self-assembled InAs Quantum Dots (QDs) are often called "artificial atoms" and have long been of interest as components of quantum photonic and spintronic devices. Although there has been substantial progress in demonstrating optical control of both single spins confined to a single QD and entanglement between two separated QDs, the path toward scalable quantum photonic devices based on spins remains challenging. Quantum Dot Molecules, which consist of two closely-spaced InAs QDs, have unique properties that can be engineered with the solid state analog of molecular engineering in which the composition, size, and location of both the QDs and the intervening barrier are controlled during growth. Moreover, applied electric, magnetic, and optical fields can be used to modulate, in situ, both the spin and optical properties of the molecular states. We describe how the unique photonic properties of engineered Quantum Dot Molecules can be leveraged to overcome long-standing challenges to the creation of scalable quantum devices that manipulate single spins via photonics.

Fluid transport in partially filled porous sol-gel silica glass

NASA Astrophysics Data System (ADS)

D'orazio, Franco; Bhattacharja, Sankar; Halperin, William P.; Gerhardt, Rosario

1990-10-01

Measurements of low-frequency ac electrical conductivity of a porous glass filled with different amounts of a saline solution are compared with the self-diffusion coefficient of water measured in the same sample, reported previously [F. D'Orazio et al., Phys. Rev. Lett. 63, 43 (1989)]. The two transport parameters are consistently related through the Einstein relation under saturation conditions. A more complex picture is revealed for the unsaturated sample, since the presence of a vapor phase enhances the self-diffusion coefficient. Conductivity experiments allow an independent assessment of the contribution to self-diffusion from the liquid phase. However, a comparison between the two experiments indicates that the role of the vapor phase is not well understood.

Charge and spin diffusion on the metallic side of the metal-insulator transition: A self-consistent approach

NASA Astrophysics Data System (ADS)

Wellens, Thomas; Jalabert, Rodolfo A.

2016-10-01

We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and diffusion coefficient are calculated within different schemes of the self-consistent framework. The simplest of these schemes qualitatively reproduces previous phenomenological developments, while more elaborate calculations provide corrections that approach the values obtained in numerical simulations. The results are universal for zinc-blende semiconductors with electron conductance in the impurity band, and thus they are able to account for the measured spin-relaxation times of materials with very different physical parameters. From a general point of view, our theory opens a new perspective for describing the hopping dynamics in random quantum networks.

Real time analysis of self-assembled InAs/GaAs quantum dot growth by probing reflection high-energy electron diffraction chevron image

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kudo, Takuya; Inoue, Tomoya; Kita, Takashi

2008-10-01

Self-assembling process of InAs/GaAs quantum dots has been investigated by analyzing reflection high-energy electron diffraction chevron images reflecting the crystal facet structure surrounding the island. The chevron image shows dramatic changes during the island formation. From the temporal evolution of the chevron tail structure, the self-assembling process has been found to consist of four steps. The initial islands do not show distinct facet structures. Then, the island surface is covered by high-index facets, and this is followed by the formation of stable low-index facets. Finally, the flow of In atoms from the islands occurs, which contributes to flatten the wettingmore » layer. Furthermore, we have investigated the island shape evolution during the GaAs capping layer growth by using the same real-time analysis technique.« less

Precision Tests of a Quantum Hall Effect Device DC Equivalent Circuit Using Double-Series and Triple-Series Connections

PubMed Central

Jeffery, A.; Elmquist, R. E.; Cage, M. E.

1995-01-01

Precision tests verify the dc equivalent circuit used by Ricketts and Kemeny to describe a quantum Hall effect device in terms of electrical circuit elements. The tests employ the use of cryogenic current comparators and the double-series and triple-series connection techniques of Delahaye. Verification of the dc equivalent circuit in double-series and triple-series connections is a necessary step in developing the ac quantum Hall effect as an intrinsic standard of resistance. PMID:29151768

Self-supporting activated carbon/carbon nanotube/reduced graphene oxide flexible electrode for high performance supercapacitor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xing; Tang, Yao; Song, Junhua

A self-supporting and flexible activated carbon/carbon nanotube/reduced graphene oxide (AC/CNT/RGO) film has been rationally designed for constructing high- performance supercapacitor. The AC/CNT/RGO film is prepared by anchoring the AC particles with a 3D and porous framework built by hierarchically weaving the 1 D CNT and 2D RGO using their intrinsic van der Waals force. The CNT network is beneficial for improving the electronic conductivity of the electrode, while the AC particles could effectively suppress the aggregation of RGO and CNT due to their blocking effect. The synergistic effects among the AC, CNT and RGO validate the AC/CNT/RGO as a promisingmore » electrode for supercapacitor, exhibiting greatly enhanced electrochemical performances in comparison with the pure RGO film, pure CNT film and AC electrode. The AC/CNT/RGO electrode delivers a high specific capacitance of 101 F g-1 at the current density of 0.2 A g-1, offering a maximum energy density of 30.0 W h kg-1 in organic electrolyte at the cut-off voltage range of 0.001~3.0 V. The findings of this work open a new avenue for the design of self-supporting electrodes for the development of flexible and light weight energy storage supercapacitor.« less

QuVis interactive simulations: tools to support quantum mechanics instruction

NASA Astrophysics Data System (ADS)

Kohnle, Antje

2015-04-01

Quantum mechanics holds a fascination for many students, but its mathematical complexity and counterintuitive results can present major barriers. The QuVis Quantum Mechanics Visualization Project (www.st-andrews.ac.uk/physics/quvis) aims to overcome these issues through the development and evaluation of interactive simulations with accompanying activities for the learning and teaching of quantum mechanics. Over 90 simulations are now available on the QuVis website. One collection of simulations is embedded in the Institute of Physics Quantum Physics website (quantumphysics.iop.org), which consists of freely available resources for an introductory course in quantum mechanics starting from two-level systems. Simulations support model-building by reducing complexity, focusing on fundamental ideas and making the invisible visible. They promote engaged exploration, sense-making and linking of multiple representations, and include high levels of interactivity and direct feedback. Simulations are research-based and evaluation with students informs all stages of the development process. Simulations are iteratively refined using student feedback in individual observation sessions and in-class trials. Evaluation has shown that the simulations can help students learn quantum mechanics concepts at both the introductory and advanced undergraduate level and that students perceive simulations to be beneficial to their learning. Recent activity includes the launch of a new collection of HTML5 simulations that run on both desktop and tablet-based devices and the introduction of a goal and reward structure in simulations through the inclusion of challenges. This presentation will give an overview of the QuVis resources, highlight recent work and outline future plans. QuVis is supported by the UK Institute of Physics, the UK Higher Education Academy and the University of St Andrews.

Electrical quantum standards and their role in the SI

NASA Astrophysics Data System (ADS)

Robinson, Ian; Georgakopoulos, Dimitrios

2012-12-01

The International System of Units, SI, is poised to make a quantum change and become a measurement system based entirely on the fundamental properties of the natural world. In the next version of the SI, the Planck constant h, the elementary charge e, the Avogadro constant NA and the Boltzmann constant k will be fixed, in addition to the already fixed values of the speed of light c and the ground state hyperfine splitting in caesium-133. As a result, six out of the seven base units of the SI will be based directly on true invariants of nature. A major part of this change has been enabled by the ready availability of electrical quantum standards of exquisite precision and mechanisms for using them to make measurements outside the electrical arena. The overall effect will be to eliminate the remaining imprecise definitions of physical units associated with the use of artefact standards and aid direct SI measurements without problems of scaling. Fixing the Planck constant and the elementary charge will have the effect of incorporating the best physical realizations of electrical quantities into the SI, providing a system of units fit for the 21st century. The purpose of this special feature is to review the status of electrical quantum standards and report the latest developments in those areas and their applications to other areas of metrology. The special feature coincides with the 50th anniversary of the seminal paper of Josephson, 'Possible new effects in superconductive tunnelling' [1], which established the basic physical principle upon which the quantum voltage standards are based. Josephson voltage standards are based on the inverse Josephson effect. When a junction of two superconducting electrodes, weakly linked through a thin insulator or a normal metal, is irradiated with a radiofrequency electromagnetic field of frequency f and is biased by a dc current, then the voltage across the junction is quantized (i.e. small changes in either the dc current or the power of the rf irradiation, or both, do not change the voltage). The value of this quantized Josephson voltage is equal to nfh/2e, where n is the quantum step of the current-voltage characteristic curve. In this special feature there are three papers on dc Josephson voltage standards. Solve and Stock review the programme conducted by the Bureau International des Poids et Mesures (BIPM) to perform on-site comparisons of Josephson voltage standards, and give a comprehensive analysis of the possible sources of errors of such comparisons. Behr et al summarize the developments of Josephson voltage standards at Physikalisch-Technische Bundesanstalt (PTB) and their applications in dc voltage and other areas of metrology. Finally, Georgakopoulos et al report a reduction, by a factor of a thousand, in the smallest voltage that can be generated by dc Josephson voltage standards. Although dc voltage standards are well established, significant challenges exist when extending this extremely precise technology to ac. There are two approaches to producing accurate ac voltages using the inverse Josephson effect: the programmable Josephson voltage standard (PJVS) and the pulse-driven ac voltage standard. The PJVS contains an array of Josephson junctions, organized into independently biased segments. By biasing chosen, binary-related, segments on the first quantum step (positive or negative) or zero, the array can be made to behave as a quantum digital to analogue converter. The PJVS approach can produce stepwise approximated sine waves with rms values of some volts, but it suffers from parasitic capacitances and inductances distributed in the different parts of the system and, more importantly, the voltage is not quantized during the finite transition time between successive voltage levels. Hence the output frequency of PJVS-based systems is limited to a few kilohertz. In this special feature, Jeanneret et al review the Josephson locked synthesizer, a PJVS-based system where the effect of transients between successive steps on the output voltage is reduced. This special feature also presents two applications of PJVS-based quantum voltage standards: the evaluation of conventional ac voltage standards based on thermal converters (Budovsky et al) and the measurement of the settling time of a high resolution digital voltmeter (Henderson et al). In the pulse-driven ac voltage standard, arbitrary voltages can be produced by modulating the rf irradiation of an array of Josephson junctions by a series of high frequency pulses, usually by means of Δ-Σ modulation. The output voltage of the array of junctions is a series of quantized voltage pulses that correspond to the desired waveform after the high frequency components are removed. The pulse-driven standard can operate at much higher frequencies than the PJVS. Eliminating the effects of parasitic impedances of the, necessarily long, connecting leads therefore becomes a significant challenge. In this special feature, van den Brom and Houtzager report a voltage lead correction technique. Quantum resistance standards are based on the quantum Hall effect in which the resistance of a two-dimensional electron gas in a strong magnetic field is quantized. The value of the quantized Hall resistance is h/ie2, where i is the number of the quantum step in the resistance-magnetic field curve. Quantum Hall resistance devices can be combined in series to form a resistive voltage divider with low uncertainty in the ratio. In this special feature, Domae et al report the realization of such a resistive voltage divider on a chip. Quantum Hall resistance standards have been routinely used at dc for over two decades. However, the operation of quantum Hall devices at ac is complicated by the flow of current in capacitances around the device, which can compromise measurement of its resistance. Schurr et al review the status of ac quantum Hall resistance standards and their role in the SI. Ohm's law can be applied to quantum realizations of voltage, resistance and current to test their consistency. Active research into this 'metrological triangle' is underway and, at present, there is no evidence to indicate a discrepancy at any level. However, work is continuing on current sources which utilize a countable flow of electrons (the electric current produced is proportional to ef, f being the operating frequency of the device), but the work has some way to go before the question of consistency can be resolved at levels approaching 1 part in 109. In this special feature, Scherer and Camarota review the state-of-the-art of metrological triangle experiments and Devoille et al report on the status of the metrological triangle experiment at the Laboratoire National de Métrologie et d'Essais (LNE), France. The availability of precise representations of the volt and the ohm based on quantum mechanics has enabled the watt balance, an apparatus which relates electrical and mechanical power, to link the kilogram to the Planck constant. This has paved the way for the proposed redefinition of the kilogram, the last artefact standard in the SI, in terms of a fixed value of the Planck constant. In the past few years a number of papers, e.g. [2, 3], have been published describing the working principles of the watt balance and the characteristics of the existing implementations of the experiment. The measurements of the principal quantities—mass, velocity, gravitational acceleration, resistance and voltage—are reasonably well documented but the ultimate precision of the apparatus depends on a number of techniques that are required to eliminate second-order effects. In this special feature, Robinson provides details of these general alignment techniques with special reference to the NPL Mark II watt balance. Acknowledgments We would like to thank the authors for supporting the special feature with their excellent contributions; the guardians of the quality of a scientific paper, the referees, for their valuable comments and suggestions; Professor Wuqiang Yang and the members of the editorial board of Measurement Science and Technology for their support. Finally, we would like to thank Dr Sharon D'Souza, James Dimond and all the editorial and publication staff at Measurement Science and Technology, for their help in making the special feature a reality. References [1] Josephson B D 1962 Possible new effects in superconductive tunnelling Phys. Lett. 1 251-3 [2] Li S, Han B, Li Z and Lan J 2012 Precisely measuring the Planck constant by electromechanical balances Measurement 45 1-13 [3] Stock M 2011 The watt balance: determination of the Planck constant and redefinition of the kilogram Phil. Trans. R. Soc. A 369 3936-53

Efficient self-consistency for magnetic tight binding

NASA Astrophysics Data System (ADS)

Soin, Preetma; Horsfield, A. P.; Nguyen-Manh, D.

2011-06-01

Tight binding can be extended to magnetic systems by including an exchange interaction on an atomic site that favours net spin polarisation. We have used a published model, extended to include long-ranged Coulomb interactions, to study defects in iron. We have found that achieving self-consistency using conventional techniques was either unstable or very slow. By formulating the problem of achieving charge and spin self-consistency as a search for stationary points of a Harris-Foulkes functional, extended to include spin, we have derived a much more efficient scheme based on a Newton-Raphson procedure. We demonstrate the capabilities of our method by looking at vacancies and self-interstitials in iron. Self-consistency can indeed be achieved in a more efficient and stable manner, but care needs to be taken to manage this. The algorithm is implemented in the code PLATO. Program summaryProgram title:PLATO Catalogue identifier: AEFC_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFC_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 228 747 No. of bytes in distributed program, including test data, etc.: 1 880 369 Distribution format: tar.gz Programming language: C and PERL Computer: Apple Macintosh, PC, Unix machines Operating system: Unix, Linux, Mac OS X, Windows XP Has the code been vectorised or parallelised?: Yes. Up to 256 processors tested RAM: Up to 2 Gbytes per processor Classification: 7.3 External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW Catalogue identifier of previous version: AEFC_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2616 Does the new version supersede the previous version?: Yes Nature of problem: Achieving charge and spin self-consistency in magnetic tight binding can be very difficult. Our existing schemes failed altogether, or were very slow. Solution method: A new scheme for achieving self-consistency in orthogonal tight binding has been introduced that explicitly evaluates the first and second derivatives of the energy with respect to input charge and spin, and then uses these to search for stationary values of the energy. Reasons for new version: Bug fixes and new functionality. Summary of revisions: New charge and spin mixing scheme for orthogonal tight binding. Numerous small bug fixes. Restrictions: The new mixing scheme scales poorly with system size. In particular the memory usage scales as number of atoms to the power 4. It is restricted to systems with about 200 atoms or less. Running time: Test cases will run in a few minutes, large calculations may run for several days.

Self-consistent field for fragmented quantum mechanical model of large molecular systems.

PubMed

Jin, Yingdi; Su, Neil Qiang; Xu, Xin; Hu, Hao

2016-01-30

Fragment-based linear scaling quantum chemistry methods are a promising tool for the accurate simulation of chemical and biomolecular systems. Because of the coupled inter-fragment electrostatic interactions, a dual-layer iterative scheme is often employed to compute the fragment electronic structure and the total energy. In the dual-layer scheme, the self-consistent field (SCF) of the electronic structure of a fragment must be solved first, then followed by the updating of the inter-fragment electrostatic interactions. The two steps are sequentially carried out and repeated; as such a significant total number of fragment SCF iterations is required to converge the total energy and becomes the computational bottleneck in many fragment quantum chemistry methods. To reduce the number of fragment SCF iterations and speed up the convergence of the total energy, we develop here a new SCF scheme in which the inter-fragment interactions can be updated concurrently without converging the fragment electronic structure. By constructing the global, block-wise Fock matrix and density matrix, we prove that the commutation between the two global matrices guarantees the commutation of the corresponding matrices in each fragment. Therefore, many highly efficient numerical techniques such as the direct inversion of the iterative subspace method can be employed to converge simultaneously the electronic structure of all fragments, reducing significantly the computational cost. Numerical examples for water clusters of different sizes suggest that the method shall be very useful in improving the scalability of fragment quantum chemistry methods. © 2015 Wiley Periodicals, Inc.

[Self-rated health and educational level in Spain: trends by autonomous communities and gender (2001-2012)].

PubMed

Aguilar-Palacio, Isabel; Carrera-Lasfuentes, Patricia; Rabanaque, M José

2015-01-01

To identify the trend in self-rated health in Spain by autonomous communities (AC) in the period 2001-2012, as well as differences by gender and age, and the influence of educational level. A cross sectional study was carried out using data from the National Health Surveys from 2001 to 2011-12 and the 2009 European Survey. A descriptive analysis was conducted that included gender, age, educational level, and the AC of residence. Logistic regression analyses were developed to explore the temporal trend and the association between educational level and self-rated health. The predictive capacity of the model was calculated using the C statistic. The prevalence of low self-rated health was higher in women with low educational level. Self-rated health improved in women with high educational level (2001:18.6% vs. 2012:14.6%). The highest prevalence of low self-rated health was observed in Andalusia, the Canary Islands, Galicia and Murcia, with differences by gender. Low educational level was associated with low self-rated health in most AC, with good predictive capacity. In all AC except Asturias, low self-rated health was more frequent in women than in men. In Spain, the prevalence of self-rated health showed no variations in the period analyzed and improved in the Balearic Islands, Catalonia, and Madrid. The prevalence of self-rated health in Spain differed by AC. Although health was unchanged during the period considered, inequalities were found in its temporal trend by educational level and gender, which could lead to an increase in health inequalities in women according educational level. Copyright © 2014 SESPAS. Published by Elsevier Espana. All rights reserved.

Impact of anti-charge sharing on the zero-frequency detective quantum efficiency of CdTe-based photon counting detector system: cascaded systems analysis and experimental validation

NASA Astrophysics Data System (ADS)

Ji, Xu; Zhang, Ran; Chen, Guang-Hong; Li, Ke

2018-05-01

Inter-pixel communication and anti-charge sharing (ACS) technologies have been introduced to photon counting detector (PCD) systems to address the undesirable charge sharing problem. In addition to improving the energy resolution of PCD, ACS may also influence other aspects of PCD performance such as detector multiplicity (i.e. the number of pixels triggered by each interacted photon) and detective quantum efficiency (DQE). In this work, a theoretical model was developed to address how ACS impacts the multiplicity and zero-frequency DQE [DQE(0)] of PCD systems. The work focused on cadmium telluride (CdTe)-based PCD that often involves the generation and transport of K-fluorescence photons. Under the parallel cascaded systems analysis framework, the theory takes both photoelectric and scattering effects into account, and it also considers both the reabsorption and escape of photons. In a new theoretical treatment of ACS, it was considered as a modified version of the conventional single pixel (i.e. non-ACS) mode, but with reduced charge spreading distance and K-fluorescence travel distance. The proposed theoretical model does not require prior knowledge of the detailed ACS implementation method for each specific PCD, and its parameters can be experimentally determined using a radioisotope without invoking any Monte-Carlo simulation. After determining the model parameters, independent validation experiments were performed using a diagnostic x-ray tube and four different polychromatic beams (from 50 to 120 kVp). Both the theoretical and experimental results demonstrate that ACS increased the first and second moments of multiplicity for a majority of the x-ray energy and threshold levels tested, except when the threshold level was much lower than the x-ray energy level. However, ACS always improved DQE(0) at all energy and threshold levels tested.

Can Bose condensation of alpha particles be observed in heavy ion collisions?

NASA Technical Reports Server (NTRS)

Tripathi, Ram K.; Townsend, Lawrence W.

1993-01-01

Using a fully self-consistent quantum statistical model, we demonstrate the possibility of Bose condensation of alpha particles with a concomitant phase transition in heavy ion collisions. Suggestions for the experimental observation of the signature of the onset of this phenomenon are made.

Scaling for quantum tunneling current in nano- and subnano-scale plasmonic junctions.

PubMed

Zhang, Peng

2015-05-19

When two conductors are separated by a sufficiently thin insulator, electrical current can flow between them by quantum tunneling. This paper presents a self-consistent model of tunneling current in a nano- and subnano-meter metal-insulator-metal plasmonic junction, by including the effects of space charge and exchange correlation potential. It is found that the J-V curve of the junction may be divided into three regimes: direct tunneling, field emission, and space-charge-limited regime. In general, the space charge inside the insulator reduces current transfer across the junction, whereas the exchange-correlation potential promotes current transfer. It is shown that these effects may modify the current density by orders of magnitude from the widely used Simmons' formula, which is only accurate for a limited parameter space (insulator thickness > 1 nm and barrier height > 3 eV) in the direct tunneling regime. The proposed self-consistent model may provide a more accurate evaluation of the tunneling current in the other regimes. The effects of anode emission and material properties (i.e. work function of the electrodes, electron affinity and permittivity of the insulator) are examined in detail in various regimes. Our simple model and the general scaling for tunneling current may provide insights to new regimes of quantum plasmonics.

Scaling for quantum tunneling current in nano- and subnano-scale plasmonic junctions

PubMed Central

Zhang, Peng

2015-01-01

When two conductors are separated by a sufficiently thin insulator, electrical current can flow between them by quantum tunneling. This paper presents a self-consistent model of tunneling current in a nano- and subnano-meter metal-insulator-metal plasmonic junction, by including the effects of space charge and exchange correlation potential. It is found that the J-V curve of the junction may be divided into three regimes: direct tunneling, field emission, and space-charge-limited regime. In general, the space charge inside the insulator reduces current transfer across the junction, whereas the exchange-correlation potential promotes current transfer. It is shown that these effects may modify the current density by orders of magnitude from the widely used Simmons’ formula, which is only accurate for a limited parameter space (insulator thickness > 1 nm and barrier height > 3 eV) in the direct tunneling regime. The proposed self-consistent model may provide a more accurate evaluation of the tunneling current in the other regimes. The effects of anode emission and material properties (i.e. work function of the electrodes, electron affinity and permittivity of the insulator) are examined in detail in various regimes. Our simple model and the general scaling for tunneling current may provide insights to new regimes of quantum plasmonics. PMID:25988951

Simulations of Turbulence in Tokamak Edge and Effects of Self-Consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim

2013-10-01

Progress is reported on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge. This extends previous work to include self-consistent zonal flows and their effects. The previous work addressed simulation of L-mode tokamak edge turbulence using the turbulence code BOUT that solves Braginskii-based plasma fluid equations in tokamak edge domain. The calculations use realistic single-null geometry and plasma parameters of the DIII-D tokamak and produce fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

Simulations of Tokamak Edge Turbulence Including Self-Consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim

2013-10-01

Progress on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge is summarized in this mini-conference talk. A more detailed report on this work is presented in a poster at this conference. This work extends our previous work to include self-consistent zonal flows and their effects. The previous work addressed the simulation of L-mode tokamak edge turbulence using the turbulence code BOUT. The calculations used realistic single-null geometry and plasma parameters of the DIII-D tokamak and produced fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

Redshift of the light emission from highly strained In0.3Ga0.7As/GaAs quantum wells by dipole δ doping

NASA Astrophysics Data System (ADS)

Fu, Y.; Wang, S.-M.; Wang, X.-D.; Larsson, A.

2005-08-01

We have studied theoretically the energy band structures and optical properties of highly strained dipole δ-doped In0.3Ga0.7As/GaAs single quantum wells. Including dopant diffusion effect, strain in the quantum well, spin-orbital interactions, and many-body effects, the self-consistent calculations of the eight-band k •p model and the Poisson equation show that the dipole δ doping induces an electric field across the In0.3Ga0.7As quantum well by the Stark effect so that both the interband transition energy and the wave-function overlap between the ground-state electrons and holes are reduced. Applying an external bias across the quantum well partially cancels the built-in electric field and reduces the wavelength redshift. The calculated material gain peak is close to the experimental lasing wavelength.

Piezo-Phototronic Effect in a Quantum Well Structure.

PubMed

Huang, Xin; Du, Chunhua; Zhou, Yongli; Jiang, Chunyan; Pu, Xiong; Liu, Wei; Hu, Weiguo; Chen, Hong; Wang, Zhong Lin

2016-05-24

With enhancements in the performance of optoelectronic devices, the field of piezo-phototronics has attracted much attention, and several theoretical works have been reported based on semiclassical models. At present, the feature size of optoelectronic devices are rapidly shrinking toward several tens of nanometers, which results in the quantum confinement effect. Starting from the basic piezoelectricity equation, Schrödinger equation, Poisson equation, and Fermi's golden rule, a self-consistent theoretical model is proposed to study the piezo-phototronic effect in the framework of perturbation theory in quantum mechanics. The validity and universality of this model are well-proven with photoluminescence measurements in a single GaN/InGaN quantum well and multiple GaN/InGaN quantum wells. This study provides important insight into the working principle of nanoscale piezo-phototronic devices as well as guidance for the future device design.

A simple quantum mechanical treatment of scattering in nanoscale transistors

NASA Astrophysics Data System (ADS)

Venugopal, R.; Paulsson, M.; Goasguen, S.; Datta, S.; Lundstrom, M. S.

2003-05-01

We present a computationally efficient, two-dimensional quantum mechanical simulation scheme for modeling dissipative electron transport in thin body, fully depleted, n-channel, silicon-on-insulator transistors. The simulation scheme, which solves the nonequilibrium Green's function equations self consistently with Poisson's equation, treats the effect of scattering using a simple approximation inspired by the "Büttiker probes," often used in mesoscopic physics. It is based on an expansion of the active device Hamiltonian in decoupled mode space. Simulation results are used to highlight quantum effects, discuss the physics of scattering and to relate the quantum mechanical quantities used in our model to experimentally measured low field mobilities. Additionally, quantum boundary conditions are rigorously derived and the effects of strong off-equilibrium transport are examined. This paper shows that our approximate treatment of scattering, is an efficient and useful simulation method for modeling electron transport in nanoscale, silicon-on-insulator transistors.

Quantum decision-maker theory and simulation

NASA Astrophysics Data System (ADS)

Zak, Michail; Meyers, Ronald E.; Deacon, Keith S.

2000-07-01

A quantum device simulating the human decision making process is introduced. It consists of quantum recurrent nets generating stochastic processes which represent the motor dynamics, and of classical neural nets describing the evolution of probabilities of these processes which represent the mental dynamics. The autonomy of the decision making process is achieved by a feedback from the mental to motor dynamics which changes the stochastic matrix based upon the probability distribution. This feedback replaces unavailable external information by an internal knowledge- base stored in the mental model in the form of probability distributions. As a result, the coupled motor-mental dynamics is described by a nonlinear version of Markov chains which can decrease entropy without an external source of information. Applications to common sense based decisions as well as to evolutionary games are discussed. An example exhibiting self-organization is computed using quantum computer simulation. Force on force and mutual aircraft engagements using the quantum decision maker dynamics are considered.

Prospects and applications near ferroelectric quantum phase transitions: a key issues review.

PubMed

Chandra, P; Lonzarich, G G; Rowley, S E; Scott, J F

2017-11-01

The emergence of complex and fascinating states of quantum matter in the neighborhood of zero temperature phase transitions suggests that such quantum phenomena should be studied in a variety of settings. Advanced technologies of the future may be fabricated from materials where the cooperative behavior of charge, spin and current can be manipulated at cryogenic temperatures. The progagating lattice dynamics of displacive ferroelectrics make them appealing for the study of quantum critical phenomena that is characterized by both space- and time-dependent quantities. In this key issues article we aim to provide a self-contained overview of ferroelectrics near quantum phase transitions. Unlike most magnetic cases, the ferroelectric quantum critical point can be tuned experimentally to reside at, above or below its upper critical dimension; this feature allows for detailed interplay between experiment and theory using both scaling and self-consistent field models. Empirically the sensitivity of the ferroelectric T c 's to external and to chemical pressure gives practical access to a broad range of temperature behavior over several hundreds of Kelvin. Additional degrees of freedom like charge and spin can be added and characterized systematically. Satellite memories, electrocaloric cooling and low-loss phased-array radar are among possible applications of low-temperature ferroelectrics. We end with open questions for future research that include textured polarization states and unusual forms of superconductivity that remain to be understood theoretically.

Prospects and applications near ferroelectric quantum phase transitions: a key issues review

NASA Astrophysics Data System (ADS)

Chandra, P.; Lonzarich, G. G.; Rowley, S. E.; Scott, J. F.

2017-11-01

The emergence of complex and fascinating states of quantum matter in the neighborhood of zero temperature phase transitions suggests that such quantum phenomena should be studied in a variety of settings. Advanced technologies of the future may be fabricated from materials where the cooperative behavior of charge, spin and current can be manipulated at cryogenic temperatures. The progagating lattice dynamics of displacive ferroelectrics make them appealing for the study of quantum critical phenomena that is characterized by both space- and time-dependent quantities. In this key issues article we aim to provide a self-contained overview of ferroelectrics near quantum phase transitions. Unlike most magnetic cases, the ferroelectric quantum critical point can be tuned experimentally to reside at, above or below its upper critical dimension; this feature allows for detailed interplay between experiment and theory using both scaling and self-consistent field models. Empirically the sensitivity of the ferroelectric T c’s to external and to chemical pressure gives practical access to a broad range of temperature behavior over several hundreds of Kelvin. Additional degrees of freedom like charge and spin can be added and characterized systematically. Satellite memories, electrocaloric cooling and low-loss phased-array radar are among possible applications of low-temperature ferroelectrics. We end with open questions for future research that include textured polarization states and unusual forms of superconductivity that remain to be understood theoretically.

On a quantum mechanical system theory of the origin of life: from the Stapp-model to the origin of natural symbols

NASA Astrophysics Data System (ADS)

Balázs, András

2016-01-01

The Heisenberg-James-Stapp (quantum mechanical) mind model is surveyed and criticized briefly. The criticism points out that the model, while being essentially consistent concerning (human) consciousness, fundamentally lacks the evolutional point of view both onto- and phylogenetically. Ethology and other than Jamesian psychology is quoted and a quantum mechanical theoretical scheme is suggested to essentially extend Stapp's frame in an evolutionary context. It is proposed that its central supposition, spontaneous quantum measurement can be better utilized in an investigation of the origin of the "subjective" process, having come about concomitantly with the chemistry of the origin of life. We dwell on its applicability at this latter process, at its heart standing, it is supposed, the endophysical nonlinear "self-measurement" of (quantum mechanically describable) matter, and so our investigation is extended to this primeval phenomenon. It is suggested that the life phenomenon is an indirect C* → (W*) → C* quantum algebraic process transition, where the (W*) system would represent the living state. Summarized also are our previous results on an internalized, "reversed", time process, introduced originally by Gunji, which is subordinated to the external "forwards" time evolution, driving towards symmetry by gradual space-mappings, where the original splitting-up must have come about in a spontaneous symmetry breaking nonlinear "self-measurement" of matter in an endophysical World.

On-Chip AC self-test controller

DOEpatents

Flanagan, John D [Rhinebeck, NY; Herring, Jay R [Poughkeepsie, NY; Lo, Tin-Chee [Fishkill, NY

2009-09-29

A system for performing AC self-test on an integrated circuit that includes a system clock for normal operation is provided. The system includes the system clock, self-test circuitry, a first and second test register to capture and launch test data in response to a sequence of data pulses, and a logic circuit to be tested. The self-test circuitry includes an AC self-test controller and a clock splitter. The clock splitter generates the sequence of data pulses including a long data capture pulse followed by an at speed data launch pulse and an at speed data capture pulse followed by a long data launch pulse. The at speed data launch pulse and the at speed data capture pulse are generated for a common cycle of the system clock.

In-capillary probing of quantum dots and fluorescent protein self-assembly and displacement using Förster resonance energy transfer.

PubMed

Wang, Jianhao; Fan, Jie; Li, Jinchen; Liu, Li; Wang, Jianpeng; Jiang, Pengju; Liu, Xiaoqian; Qiu, Lin

2017-02-01

Herein, a Förster resonance energy transfer system was designed, which consisted of CdSe/ZnS quantum dots donor and mCherry fluorescent protein acceptor. The quantum dots and the mCherry proteins were conjugated to permit Förster resonance energy transfer. Capillary electrophoresis with fluorescence detection was used for the analyses for the described system. The quantum dots and mCherry were sequentially injected into the capillary, while the real-time fluorescence signal of donor and acceptor was simultaneously monitored by two channels with fixed wavelength detectors. An effective separation of complexes from free donor and acceptor was achieved. Results showed quantum dots and hexahistidine tagged mCherry had high affinity and the assembly was affected by His 6 -mCherry/quantum dot molar ratio. The kinetics of the self-assembly was calculated using the Hill equation. The microscopic dissociation constant values for out of- and in-capillary assays were 10.49 and 23.39 μM, respectively. The capillary electrophoresis with fluorescence detection that monitored ligands competition assay further delineated the different binding capacities of histidine containing peptide ligands for binding sites on quantum dots. This work demonstrated a novel approach for the improvement of Förster resonance energy transfer for higher efficiency, increased sensitivity, intuitionistic observation, and low sample requirements of the in-capillary probing system. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of boundary treatments on quantum transport current in the Green's function and Wigner distribution methods for a nano-scale DG-MOSFET

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang Haiyan; Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001; Cai Wei

2010-06-20

In this paper, we conduct a study of quantum transport models for a two-dimensional nano-size double gate (DG) MOSFET using two approaches: non-equilibrium Green's function (NEGF) and Wigner distribution. Both methods are implemented in the framework of the mode space methodology where the electron confinements below the gates are pre-calculated to produce subbands along the vertical direction of the device while the transport along the horizontal channel direction is described by either approach. Each approach handles the open quantum system along the transport direction in a different manner. The NEGF treats the open boundaries with boundary self-energy defined by amore » Dirichlet to Neumann mapping, which ensures non-reflection at the device boundaries for electron waves leaving the quantum device active region. On the other hand, the Wigner equation method imposes an inflow boundary treatment for the Wigner distribution, which in contrast ensures non-reflection at the boundaries for free electron waves entering the device active region. In both cases the space-charge effect is accounted for by a self-consistent coupling with a Poisson equation. Our goals are to study how the device boundaries are treated in both transport models affects the current calculations, and to investigate the performance of both approaches in modeling the DG-MOSFET. Numerical results show mostly consistent quantum transport characteristics of the DG-MOSFET using both methods, though with higher transport current for the Wigner equation method, and also provide the current-voltage (I-V) curve dependence on various physical parameters such as the gate voltage and the oxide thickness.« less

Beyond Peaceful Coexistence: The Emergence of Space, Time and Quantum

NASA Astrophysics Data System (ADS)

Licata, Ignazio

A physical theory consists of a formal structure and one or more interpretations. The latter can come out from cultural and cognitive tension going far beyond any sound operational pact between theoretical constructs and empirical data. We have no reason to doubt about the consistency and efficacy of syntaxes if properly used in the right range. The formal side of Physics has grown in a strongly connected and stratified way through an almost autopoietic, self-dual procedure (let's think of the extraordinary success of the gauge theories), whereas the foundational debate is still blustering about the two pillars of such monumental construction. The general relativity (GR) and the quantum mechanics (QM), which still appear to be greatly incompatible and stopped in a limited peaceful coexistence between local causality in space-time and quantum non-locality [1]. The formidable challenges waiting for us beyond the Standard Model seem to require a new semantic consistency [2] within the two theories, so as to build a new way to look at them, to work and to relate them...

Quantum Impurity Models as Reference Systems for Strongly Correlated Materials: The Road from the Kondo Impurity Model to First Principles Electronic Structure Calculations with Dynamical Mean-Field Theory

NASA Astrophysics Data System (ADS)

Kotliar, Gabriel

2005-01-01

Dynamical mean field theory (DMFT) relates extended systems (bulk solids, surfaces and interfaces) to quantum impurity models (QIM) satisfying a self-consistency condition. This mapping provides an economic description of correlated electron materials. It is currently used in practical computations of physical properties of real materials. It has also great conceptual value, providing a simple picture of correlated electron phenomena on the lattice, using concepts derived from quantum impurity models such as the Kondo effect. DMFT can also be formulated as a first principles electronic structure method and is applicable to correlated materials.

A Multilevel Structural Equation Model of Within- and Between-Person Associations among Subjective Responses to Alcohol, Craving, and Laboratory Alcohol Self-Administration

PubMed Central

Wardell, Jeffrey D.; Ramchandani, Vijay A.; Hendershot, Christian S.

2017-01-01

Subjective responses to alcohol are important determinants of drinking behavior and have been linked with risk for alcohol use disorders. However, few attempts have been made to examine proximal within-person associations among state changes in subjective responses and ongoing alcohol self-administration in the laboratory. This study disaggregated within- and between-person associations among subjective responses and alcohol self-administration, while also examining the mediating role of craving and the moderating role of trait impaired control over alcohol. Sixty young heavy drinkers (mean age=19.90, SD=0.86) completed self-report measures including the Impaired Control Scale, then participated in a 2-hour intravenous alcohol self-administration session using the Computer-Assisted Self-infusion of Ethanol (CASE) paradigm. Repeated assessments of subjective stimulation, subjective sedation, and craving were examined in relation to ongoing in-session self-administration, as indexed by breath alcohol concentration (BrAC) assessed 15 minutes later. Multilevel structural equation modeling was used to disentangle within-person and between-person associations. The results showed few significant associations at the between-person level, except for a direct negative association between sedation and BrAC. At the within-person level, state fluctuations in stimulation were positively associated with both craving and subsequent BrAC, whereas state changes in sedation were negatively associated with craving and positively associated with BrAC. Within-person indirect associations from subjective stimulation and sedation to subsequent BrAC mediated via craving were statistically significant. Also, participants higher on impaired control showed stronger within-person associations between craving and greater subsequent BrAC. The results suggest that subjective responses to alcohol and craving have proximal associations with self-administration behavior, the strength of which is linked with trait impaired control over alcohol. PMID:26595481

Temperature dependence of excitonic emission in [(CH3)2NH2]3[BiI6] organic-inorganic natural self assembled bimodal quantum dots

NASA Astrophysics Data System (ADS)

Abid, Haitham; Samet, Amira; Mlayah, Adnen; Boughzala, Habib; Abid, Younes

2017-11-01

This paper reports on the optical properties of organic - inorganic natural self assembled bimodal quantum dots (dimetylammonium) hexa-iodobismuthate [(CH3)2NH2]3[BiI6]. The crystal structure consists of isolated BiI6 octahedra, as inorganic ions, surrounded by dimethylamine cations. At room temperature, we investigate the optical properties by: UV/Vis absorption, ellipsometry, diffuse reflectance and photoluminescence. A broad Gaussian-shape luminescence band with a large stokes shift is observed in the red spectral range at 2.15 eV, due to radiative recombination of confined excitons in BiI quantum dots, suggesting that excitons are self trapped. The temperature-dependence of the PL emission is investigated. The observed S-shaped emission behavior is explained by thermal escape occurring at lower temperatures for high-energy dots and carriers being recaptured by dots emitting on the low-energy side of the distribution. A rate equation model, showing agreement with the experimental results, is used to investigate the thermal redistribution of the charge carriers. Exciton binding energies of 149.125 and 295.086 meV were determined from the modified Arrhenius analysis.

Solving Boltzmann and Fokker-Planck Equations Using Sparse Representation

DTIC Science & Technology

2011-05-31

material science. We have com- puted the electronic structure of 2D quantum dot system, and compared the efficiency with the benchmark software OCTOPUS . For...one self-consistent iteration step with 512 electrons, OCTOPUS costs 1091 sec, and selected inversion costs 9.76 sec. The algorithm exhibits

Minimal analytical model for undular tidal bore profile; quantum and Hawking effect analogies

NASA Astrophysics Data System (ADS)

Berry, M. V.

2018-05-01

Waves travelling up-river, driven by high tides, often consist of a smooth front followed by a series of undulations. A simple approximate theory gives the rigidly travelling profile of such ‘undular hydraulic jumps’, up to scaling, as the integral of the Airy function; applying self-consistency fixes the scaling. The theory combines the standard hydraulic jump with ideas borrowed from quantum physics: Hamiltonian operators and zero-energy eigenfunctions. There is an analogy between undular bores and the Hawking effect in relativity: both concern waves associated with horizons. ‘Physics is not just Concerning the Nature of Things, but Concerning the Interconnectedness of all the Natures of Things’(Sir Charles Frank, retirement speech 1976).

Rectilinear accelerometer possesses self- calibration feature

NASA Technical Reports Server (NTRS)

Henderson, R. B.

1966-01-01

Rectilinear accelerometer operates from an ac source with a phase-sensitive ac voltage output proportional to the applied accelerations. The unit includes an independent circuit for self-test which provides a sensor output simulating an acceleration applied to the sensitive axis of the accelerometer.

The thinner the better: self-esteem and low body weight in anorexia nervosa.

PubMed

Brockmeyer, Timo; Holtforth, Martin Grosse; Bents, Hinrich; Kämmerer, Annette; Herzog, Wolfgang; Friederich, Hans-Christoph

2013-01-01

The aim of the present study was to examine the associations between self-esteem, motive satisfaction, and body weight in acute (acAN) and recovered (recAN) inpatients with anorexia nervosa (AN) and in healthy controls. Both acAN and recAN showed lower levels of self-esteem as compared with healthy controls but did not differ from each other. In acAN, decreased body weight was associated with increased self-esteem. Satisfaction of an achievement motive but not satisfaction of a superiority motive mediated this association. No such correlations could be observed in the other groups. This is the first study to show an often assumed association between decreased body weight and increased self-esteem in AN patients. These preliminary results strengthen the assumption that low body weight may foster self-esteem in patients with acAN, mainly through the satisfaction of an achievement motive. Self-esteem should be focused very early in the treatment of AN since weight gain may deprive the patient of an important source of self-esteem. Treatment interventions should be attuned to underlying motives of threatened self-esteem; in AN patients, the enhancement of self-esteem via weight loss seems to be rather fuelled by the satisfaction of an achievement motive than by the satisfaction of a superiority motive. Specific trainings to improve self-esteem in AN patients seem to be promising as an add-on to regular treatment. Copyright © 2012 John Wiley & Sons, Ltd.

Quantum Theory of Orbital Magnetization and Its Generalization to Interacting Systems

NASA Astrophysics Data System (ADS)

Shi, Junren; Vignale, G.; Xiao, Di; Niu, Qian

2007-11-01

Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at zero or finite temperatures, and at weak as well as strong magnetic fields. The formula is shown to be valid in the presence of electron-electron interaction, provided the one-electron energies and wave functions are calculated self-consistently within the framework of the exact current and spin-density functional theory.

PREFACE: Proceedings of the First Workshop of the EU RT Network `Photon-Mediated Phenomena in Semiconductor Nanostructures' (Gregynog, Wales, UK, 28--31 March 2003)

NASA Astrophysics Data System (ADS)

Ivanov, Alexei L.

2004-09-01

The EU Research Training Network `Photon-Mediated Phenomena in Semiconductor Nanostructures' (HPRN-CT-2002-00298) comprises seven teams from across Europe: Cambridge, Cardiff, Dortmund, Heraklion, Grenoble, Lund and Paderborn (for details see the Network website http://www.astro.cardiff.ac.uk/research/PMPnetwork/index.html). The first workshop of the Network was held at Gregynog Hall, a conference centre in the beautiful countryside of mid-Wales. There were 44 participants who attended the meeting (7 from France, 2 from Japan, 3 from Germany, 1 from Greece, 2 from Russia, 3 from Sweden, 23 from UK and 3 from USA). Of these, 57% were students and young postdoctoral research associates. The talks presented at the meeting were mainly devoted to linear and nonlinear optics of semiconductor nanostructures. Thus the review and research papers included in this special issue of Journal of Physics: Condensed Matter deal with the exciton-mediated optical phenomena in semiconductor quantum wires, quantum wells, planar and spherical microcavities and self-assembled quantum dots. The specific topics covered by the proceedings are exciton-mediated optics, including lasing, of semiconductor quantum wires Bose-Einstein condensation of excitons and microcavity polaritons diffusion, thermalization and photoluminescence of free carriers and excitons in GaAs coupled quantum wells polaritons in semiconductor microcavities exciton-mediated optics of semiconductor photonic dots optical nonlinearities of biexciton waves optics of self-assembled quantum dots photosensitive metal oxides films On the first day of the workshop, a special session on presentation skills, lead by Mike Edmunds, was organized for the young researchers. The meeting concluded with a round-table discussion at which key questions on research, organization and management of the Network were identified and discussed. The second workshop of the Network, organized and chaired by George Kiriakidis, took place at Hersonissos (Crete, Greece) in October 2003. The forthcoming third workshop, organized by Detlef Schikora and Ulrike Woggon, will be held in Paderborn (conference part) and Dortmund (training part) from 4 October 4 through 7 October 2004 (for details visit the Network website). Finally, I would like to thank my colleagues, Celestino Creatore, Nikolay Nikolaev, Lois Smallwood and Andrew Smith, for their help with preparation of the Proceedings.

Self-supporting activated carbon/carbon nanotube/reduced graphene oxide flexible electrode for high performance supercapacitor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xing; Tang, Yao; Song, Junhua

A self-supporting and flexible activated carbon/carbon nanotube/reduced graphene oxide (AC/CNT/RGO) film has been rationally designed for constructing high-performance supercapacitor. We prepared the AC/CNT/RGO film by anchoring the AC particles with a 3D and porous framework built by hierarchically weaving the 1 D CNT and 2D RGO using their intrinsic van der Waals force. The CNT network is beneficial for improving the electronic conductivity of the electrode, while the AC particles could effectively suppress the aggregation of RGO and CNT due to their blocking effect. The synergistic effects among the AC, CNT and RGO validate the AC/CNT/RGO as a promising electrodemore » for supercapacitor, exhibiting greatly enhanced electrochemical performances in comparison with the pure RGO film, pure CNT film and AC electrode. Furthermore, the AC/CNT/RGO electrode delivers a high specific capacitance of 101 F g -1 at the current density of 0.2 A g -1 offering a maximum energy density of 30.0 W h kg -1 in organic electrolyte at the cut-off voltage range of 0.001–3.0 V. The findings of this work open a new avenue for the design of self-supporting electrodes for the development of flexible and light weight energy storage supercapacitor.« less

Self-supporting activated carbon/carbon nanotube/reduced graphene oxide flexible electrode for high performance supercapacitor

DOE PAGES

Li, Xing; Tang, Yao; Song, Junhua; ...

2017-12-06

A self-supporting and flexible activated carbon/carbon nanotube/reduced graphene oxide (AC/CNT/RGO) film has been rationally designed for constructing high-performance supercapacitor. We prepared the AC/CNT/RGO film by anchoring the AC particles with a 3D and porous framework built by hierarchically weaving the 1 D CNT and 2D RGO using their intrinsic van der Waals force. The CNT network is beneficial for improving the electronic conductivity of the electrode, while the AC particles could effectively suppress the aggregation of RGO and CNT due to their blocking effect. The synergistic effects among the AC, CNT and RGO validate the AC/CNT/RGO as a promising electrodemore » for supercapacitor, exhibiting greatly enhanced electrochemical performances in comparison with the pure RGO film, pure CNT film and AC electrode. Furthermore, the AC/CNT/RGO electrode delivers a high specific capacitance of 101 F g -1 at the current density of 0.2 A g -1 offering a maximum energy density of 30.0 W h kg -1 in organic electrolyte at the cut-off voltage range of 0.001–3.0 V. The findings of this work open a new avenue for the design of self-supporting electrodes for the development of flexible and light weight energy storage supercapacitor.« less

Self consistent solution of Schrödinger Poisson equations and some electronic properties of ZnMgO/ZnO hetero structures

NASA Astrophysics Data System (ADS)

Uslu, Salih; Yarar, Zeki

2017-02-01

The epitaxial growth of quantum wells composed of high quality allows the production and application to their device of new structures in low dimensions. The potential profile at the junction is determined by free carriers and by the level of doping. Therefore, the shape of potential is obtained by the electron density. Energy level determines the number of electrons that can be occupied at every level. Energy levels and electron density values of each level must be calculated self consistently. Starting with V(z) test potential, wave functions and electron densities for each energy levels can be calculated to solve Schrödinger equation. If Poisson's equation is solved with the calculated electron density, the electrostatic potential can be obtained. The new V(z) potential can be calculated with using electrostatic potential found beforehand. Thus, the obtained values are calculated self consistently to a certain error criterion. In this study, the energy levels formed in the interfacial potential, electron density in each level and the wave function dependence of material parameters were investigated self consistently.

Agatha: Disentangling period signals from correlated noise in a periodogram framework

NASA Astrophysics Data System (ADS)

Feng, F.; Tuomi, M.; Jones, H. R. A.

2018-04-01

Agatha is a framework of periodograms to disentangle periodic signals from correlated noise and to solve the two-dimensional model selection problem: signal dimension and noise model dimension. These periodograms are calculated by applying likelihood maximization and marginalization and combined in a self-consistent way. Agatha can be used to select the optimal noise model and to test the consistency of signals in time and can be applied to time series analyses in other astronomical and scientific disciplines. An interactive web implementation of the software is also available at http://agatha.herts.ac.uk/.

A practical guide to density matrix embedding theory in quantum chemistry

DOE PAGES

Wouters, Sebastian; Jimenez-Hoyos, Carlos A.; Sun, Qiming; ...

2016-05-09

Density matrix embedding theory (DMET) (Knizia, G.; Chan, G. K.-L. Phys. Rev. Lett. 2012, 109, 186404) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit description of the numerical and theoretical formulation of DMET. Here, we also describe in detail how to perform self-consistent DMET optimizations. We explore different embedding strategies with and without a self-consistency condition in hydrogen rings, beryllium rings, and a sample SN2 reaction.

Surprises in low-dimensional correlated systems

NASA Astrophysics Data System (ADS)

Lin, Hsiu-Hau

In this thesis, correlation effects in low-dimensional systems were studied. In particular, we focus on two systems: a point-contact in the quantum-Hall regime under the influence of ac drive and quasi-one-dimensional ladder materials with generic interactions in weak coupling. Powerful techniques, including renormalization group, quantum field theory, operator product expansions, bosonization,...etc., were employed to extract surprising physics out of these strongly fluctuating systems. We first study the effect of an ac drive on the current-voltage (I-V) characteristics of a tunnel junction between two fractional Quantum Hall fluids at filling nu-1 an odd integer. In a semi-classical limit, the tunneling current exhibits mode-locking, which corresponds to plateaus in the I-V curve at integer multiples of I = ef , with f the ac drive frequency. However, the full quantum model exhibits rounded plateaus centered around the quantized current values due to quantum fluctuations. The locations of these plateaus can serve as an indirect hint of fractional charges. Switching attentions to quasi-one-dimensional coupled-chain systems, we present a systematic weak-coupling renormalization group (RG) technique and find that generally broad regions of the phase space of the ladder materials are unstable to pairing, usually with approximate d-wave symmetry. The dimensional crossovers from 1D to 2D were also discussed. Carbon nanotubes as possible candidates that display such unconventional pairing and interesting physics in weak coupling were discussed. Quite surprisingly, a hidden symmetry was found in the weakly-coupled two-leg ladder. A perturbative renormalization group analysis reveals that at half-filling the model scales onto an exactly soluble SO(8) symmetric Gross-Neveu model. Integrability of the Gross-Neveu model is employed to extract the exact energies, degeneracies and quantum numbers of all the low energy excited states, which fall into degenerate SO(8) multiplets. For generic physical interactions, there are four robust phases which have different SO(8) symmetries but share a common SO(5) symmetry. The effects of marginal chiral interactions were discussed at the end. Finally, we summarize our main results and discuss related open questions for future study.

Fast and economic signal processing technique of laser diode self-mixing interferometry for nanoparticle size measurement

NASA Astrophysics Data System (ADS)

Wang, Huarui; Shen, Jianqi

2014-05-01

The size of nanoparticles is measured by laser diode self-mixing interferometry, which employs a sensitive, compact, and simple optical setup. However, the signal processing of the interferometry is slow or expensive. In this article, a fast and economic signal processing technique is introduced, in which the self-mixing AC signal is transformed into DC signals with an analog circuit consisting of 16 channels. These DC signals are obtained as a spectrum from which the size of nanoparticles can be retrieved. The technique is examined by measuring the standard nanoparticles. Further experiments are performed to compare the skimmed milk and whole milk, and also the fresh skimmed milk and rotten skimmed milk.

Non-equilibrium dynamics of artificial quantum matter

NASA Astrophysics Data System (ADS)

Babadi, Mehrtash

The rapid progress of the field of ultracold atoms during the past two decades has set new milestones in our control over matter. By cooling dilute atomic gases and molecules to nano-Kelvin temperatures, novel quantum mechanical states of matter can be realized and studied on a table-top experimental setup while bulk matter can be tailored to faithfully simulate abstract theoretical models. Two of such models which have witnessed significant experimental and theoretical attention are (1) the two-component Fermi gas with resonant s-wave interactions, and (2) the single-component Fermi gas with dipole-dipole interactions. This thesis is devoted to studying the non-equilibrium collective dynamics of these systems using the general framework of quantum kinetic theory. We present a concise review of the utilized mathematical methods in the first two chapters, including the Schwinger-Keldysh formalism of non-equilibrium quantum fields, two-particle irreducible (2PI) effective actions and the framework of quantum kinetic theory. We study the collective dynamics of the dipolar Fermi gas in a quasi-two-dimensional optical trap in chapter 3 and provide a detailed account of its dynamical crossover from the collisionless to the hydrodynamical regime. Chapter 4 is devoted to studying the dynamics of the attractive Fermi gas in the normal phase. Starting from the self-consistent T-matrix (pairing fluctuation) approximation, we systematically derive a set of quantum kinetic equations and show that they provide a globally valid description of the dynamics of the attractive Fermi gas, ranging from the weak-coupling Fermi liquid phase to the intermediate non-Fermi liquid pairing pseudogap regime and finally the strong-coupling Bose liquid phase. The shortcomings of the self-consistent T-matrix approximation in two spatial dimensions are discussed along with a proposal to overcome its unphysical behaviors. The developed kinetic formalism is finally utilized to reproduce and interpret the findings of a recent experiment done on the collective dynamics of trapped two-dimensional ultracold gases.

Dielectric response of periodic systems from quantum Monte Carlo calculations.

PubMed

Umari, P; Willamson, A J; Galli, Giulia; Marzari, Nicola

2005-11-11

We present a novel approach that allows us to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric-enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wave function, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence, sampled via forward walking. This approach has been validated for the case of an isolated hydrogen atom and then applied to a periodic system, to calculate the dielectric susceptibility of molecular-hydrogen chains. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.

Strong electronic interaction and multiple quantum Hall ferromagnetic phases in trilayer graphene

NASA Astrophysics Data System (ADS)

Datta, Biswajit; Dey, Santanu; Samanta, Abhisek; Agarwal, Hitesh; Borah, Abhinandan; Watanabe, Kenji; Taniguchi, Takashi; Sensarma, Rajdeep; Deshmukh, Mandar M.

2017-02-01

Quantum Hall effect provides a simple way to study the competition between single particle physics and electronic interaction. However, electronic interaction becomes important only in very clean graphene samples and so far the trilayer graphene experiments are understood within non-interacting electron picture. Here, we report evidence of strong electronic interactions and quantum Hall ferromagnetism seen in Bernal-stacked trilayer graphene. Due to high mobility ~500,000 cm2 V-1 s-1 in our device compared to previous studies, we find all symmetry broken states and that Landau-level gaps are enhanced by interactions; an aspect explained by our self-consistent Hartree-Fock calculations. Moreover, we observe hysteresis as a function of filling factor and spikes in the longitudinal resistance which, together, signal the formation of quantum Hall ferromagnetic states at low magnetic field.

Self-consistent description of graphene quantum amplifier

NASA Astrophysics Data System (ADS)

Lozovik, Yu. E.; Nechepurenko, I. A.; Andrianov, E. S.; Dorofeenko, A. V.; Pukhov, A. A.; Chtchelkatchev, N. M.

2016-07-01

The development of active and passive plasmonic devices is challenging due to the high level of dissipation in normal metals. One possible solution to this problem is using alternative materials. Graphene is a good candidate for plasmonics in the near-infrared region. In this paper, we develop a quantum theory of a graphene plasmon generator. We account for quantum correlations and dissipation effects, thus we are able to describe such regimes of a quantum plasmonic amplifier as a surface plasmon emitting diode and a surface plasmon amplifier using stimulated radiation emission. Switching between these generation types is possible in situ with a variance of the graphene Fermi level. We provide explicit expressions for dissipation and interaction constants through material parameters, and we identify the generation spectrum and the second-order correlation function, which predicts the laser statistics.

The LSLE echocardiograph - Commercial hardware aboard Spacelab. [Life Sciences Laboratory Equipment

NASA Technical Reports Server (NTRS)

Schwarz, R.

1983-01-01

The Life Sciences Laboratory Equipment Echocardiograph, a commercial 77020AC Ultrasound Imaging System modified to meet NASA's spacecraft standards, is described. The assembly consists of four models: display and control, scanner, scan converter, and physioamplifiers. Four separate processors communicate over an IEE-488 bus, and the system has more than 6000 individual components on 35 printed circuit cards. Three levels of self test are provided: a short test during power up, a basic test initiated by a front panel switch, and interactive tests for specific routines. Default mode operation further enhances reliability. Modifications of the original system include the replacement of ac power supplies with dc to dc converters, a slide-out keyboard (to prevent accidental operation), Teflon insulated wire, and additional shielding for the ultrasound transducer cable.

A Transfer Hamiltonian Model for Devices Based on Quantum Dot Arrays

PubMed Central

Illera, S.; Prades, J. D.; Cirera, A.; Cornet, A.

2015-01-01

We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the system and it is based on the Transfer Hamiltonian approach. A set of noncoherent rate equations can be written and the interaction between the quantum dots and between the quantum dots and the electrodes is introduced by transition rates and capacitive couplings. A realistic modelization of the capacitive couplings, the transmission coefficients, the electron/hole tunneling currents, and the density of states of each quantum dot have been taken into account. The effects of the local potential are computed within the self-consistent field regime. While the description of the theoretical framework is kept as general as possible, two specific prototypical devices, an arbitrary array of quantum dots embedded in a matrix insulator and a transistor device based on quantum dots, are used to illustrate the kind of unique insight that numerical simulations based on the theory are able to provide. PMID:25879055

A transfer hamiltonian model for devices based on quantum dot arrays.

PubMed

Illera, S; Prades, J D; Cirera, A; Cornet, A

2015-01-01

We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the system and it is based on the Transfer Hamiltonian approach. A set of noncoherent rate equations can be written and the interaction between the quantum dots and between the quantum dots and the electrodes is introduced by transition rates and capacitive couplings. A realistic modelization of the capacitive couplings, the transmission coefficients, the electron/hole tunneling currents, and the density of states of each quantum dot have been taken into account. The effects of the local potential are computed within the self-consistent field regime. While the description of the theoretical framework is kept as general as possible, two specific prototypical devices, an arbitrary array of quantum dots embedded in a matrix insulator and a transistor device based on quantum dots, are used to illustrate the kind of unique insight that numerical simulations based on the theory are able to provide.

Feasibility study of electron transfer quantum well infrared photodetectors for spectral tuning in the long-wave infrared band

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jolley, Greg; Dehdashti Akhavan, Nima; Umana-Membreno, Gilberto

An electron transfer quantum well infrared photodetector (QWIP) consisting of repeating units of two coupled quantum wells (QWs) is capable of exhibiting a two color voltage dependent spectral response. However, significant electron transfer between the coupled QWs is required for spectral tuning, which may require the application of relatively high electric fields. Also, the band structure of coupled quantum wells is more complicated in comparison to a regular quantum well and, therefore, it is not always obvious if an electron transfer QWIP can be designed such that it meets specific performance characteristics. This paper presents a feasibility study of themore » electron transfer QWIP and its suitability for spectral tuning. Self consistent calculations have been performed of the bandstructure and the electric field that results from electron population within the quantum wells, from which the optical characteristics have been obtained. The band structure, spectral response, and the resonant final state energy locations have been compared with standard QWIPs. It is shown that spectral tuning in the long-wave infrared band can be achieved over a wide wavelength range of several microns while maintaining a relatively narrow spectral response FWHM. However, the total absorption strength is more limited in comparison to a standard QWIP, since the higher QW doping densities require much higher electric fields for electron transfer.« less

Automatic identification and location technology of glass insulator self-shattering

NASA Astrophysics Data System (ADS)

Huang, Xinbo; Zhang, Huiying; Zhang, Ye

2017-11-01

The insulator of transmission lines is one of the most important infrastructures, which is vital to ensure the safe operation of transmission lines under complex and harsh operating conditions. The glass insulator often self-shatters but the available identification methods are inefficient and unreliable. Then, an automatic identification and localization technology of self-shattered glass insulators is proposed, which consists of the cameras installed on the tower video monitoring devices or the unmanned aerial vehicles, the 4G/OPGW network, and the monitoring center, where the identification and localization algorithm is embedded into the expert software. First, the images of insulators are captured by cameras, which are processed to identify the region of insulator string by the presented identification algorithm of insulator string. Second, according to the characteristics of the insulator string image, a mathematical model of the insulator string is established to estimate the direction and the length of the sliding blocks. Third, local binary pattern histograms of the template and the sliding block are extracted, by which the self-shattered insulator can be recognized and located. Finally, a series of experiments is fulfilled to verify the effectiveness of the algorithm. For single insulator images, Ac, Pr, and Rc of the algorithm are 94.5%, 92.38%, and 96.78%, respectively. For double insulator images, Ac, Pr, and Rc are 90.00%, 86.36%, and 93.23%, respectively.

Tunable microstrip SQUID amplifiers for the Gen 2 Axion Dark Matter eXperiment (ADMX)

NASA Astrophysics Data System (ADS)

O'Kelley, Sean; Hilton, Gene; Clarke, John; ADMX Collaboration

2016-03-01

We present a series of tunable microstrip SQUID (Superconducting Quantum Interference Device) amplifiers (MSAs) for installation in ADMX. The axion dark matter candidate is detected via Primakoff conversion to a microwave photon in a high-Q (~100,000) tunable microwave cavity cooled with a dilution refrigerator in a 7-tesla magnetic field. The microwave photon frequency ν is a function of the unknown axion mass, so both the cavity and amplifier must be scanned over a wide frequency range. An MSA is a linear, phase-preserving amplifier consisting of a square washer loop, fabricated from a thin Nb film, incorporating two Josephson tunnel junctions with resistive shunts to prevent hysteresis. The input is coupled via a microstrip made from a square Nb coil deposited over the washer with an intervening insulating layer. Tunability is achieved by terminating the microstrip with GaAs varactors that operate below 100 mK. By varying the varactor capacitance with a bias voltage, the resonant frequency is varied by up to a factor of 2. We demonstrate several devices operating below 100 mK, matched to the discrete operating bands of ADMX at frequencies ranging from 560 MHz to 1 GHz. The MSAs exhibit gains exceeding 20 dB and the associated noise temperatures, measured with a hot/cold load, approach the standard quantum limit (hν/kB) . Supported by DOE Grants DE - FG02 - 97ER41029, DE - FG02 - 96ER40956, DE - AC52 - 07NA27344, DE - AC03 - 76SF00098, and the Livermore LDRD program.

INSTRUMENTATION AND TECHNIQUES. A SELF-CONTAINED, REGULATED, BURST-FIRING CONSTANT-CURRENT AC SHOCK GENERATOR

EPA Science Inventory

A line- and load-regulated constant-current ac shock generator has been designed for animal behavior experiments. The self-contained unit has four operating modes, amplitude adjustment, and a leakage current detection circuit. A unique feature of this generator is that the good l...

Accuracy and reliability of wrist-cuff devices for self-measurement of blood pressure.

PubMed

Kikuya, Masahiro; Chonan, Kenichi; Imai, Yutaka; Goto, Eiji; Ishii, Masao

2002-04-01

Self-measurement of blood pressure (BP) might offer some advantages in diagnosis and therapeutic evaluation and in patient management of hypertension. Recently, wrist-cuff devices for self-measurement of BP have gained more than one-third of the world market share. In the present study, we validated wrist-cuff devices and compared the results between wrist- and arm-cuff devices. The factors affecting the accuracy of wrist-cuff devices were also studied. The research group to assess the validity of automated blood pressure measuring device consisted of 13 institutes in Japan, which validated two wrist-cuff devices (WC-1 and WC-2) and two arm-cuff devices (AC-1 and AC-2). They used a crossover method, where the comparison was done between auscultation, by two observers by means of a double stethoscope on one arm and the device on the opposite arm or wrist. There was good inter-observer agreement for the auscultation method in each institute (systolic blood pressure (SBP), -0.1 +/- 2.8 mmHg; diastolic blood pressure (DBP), -0.1 +/- 2.6 mmHg, n = 498). The mean difference between auscultation and the device was minimal both in arm-cuff devices (mean difference for AC-1, 2.2/1.9 mmHg, n = 97 and for AC-2, 5.1/2.9 mmHg, n = 136, SBP/DBP) and wrist-cuff devices (mean difference for WC-1, -2.1/1.2 mmHg, n = 173 mmHg and for WC-2, -2.3/-5.6 mmHg, n = 92). The standard deviation of the difference (SDD) in wrist-cuff devices, however (SDD for WC-1, 9.7/7.3 mmHg and for WC-2, 10.2/8.6 mmHg), was larger than that of the arm-cuff devices (SDD for AC-1, 5.6/6.6 mmHg and for AC-2, 6.3/5.1 mmHg). Grading of AC-1 and AC-2 based on criteria of British Hypertension Society was A/A and B/A, respectively, while that of WC-1 and WC-2 was C/B and D/B, respectively. Using the same validation protocol, the results of validation for one device were divergent in each institute. In wrist-cuff devices, the BP value obtained in palmar flexion was significantly higher and that obtained in palmar dorsiflexion was significantly lower than that in palmar extension. In some cases, finger plethysmogram did not disappear during maximum inflation of the wrist-cuff (congruent with 250 mmHg), even in palmar extension and especially in palmar flexion, suggesting incomplete obstruction of radial and/or ulnar arteries during inflation. The results suggest that wrist-cuff devices in the present form are inadequate for self-measurement of blood pressure and, thus, are inadequate for general use or clinical and practical use. However, there is much possibility in wrist-cuff device and the accuracy and reliability of wrist-cuff device are warranted by an improvement of technology.

Silicon based quantum dot hybrid qubits

NASA Astrophysics Data System (ADS)

Kim, Dohun

2015-03-01

The charge and spin degrees of freedom of an electron constitute natural bases for constructing quantum two level systems, or qubits, in semiconductor quantum dots. The quantum dot charge qubit offers a simple architecture and high-speed operation, but generally suffers from fast dephasing due to strong coupling of the environment to the electron's charge. On the other hand, quantum dot spin qubits have demonstrated long coherence times, but their manipulation is often slower than desired for important future applications. This talk will present experimental progress of a `hybrid' qubit, formed by three electrons in a Si/SiGe double quantum dot, which combines desirable characteristics (speed and coherence) in the past found separately in qubits based on either charge or spin degrees of freedom. Using resonant microwaves, we first discuss qubit operations near the `sweet spot' for charge qubit operation. Along with fast (>GHz) manipulation rates for any rotation axis on the Bloch sphere, we implement two independent tomographic characterization schemes in the charge qubit regime: traditional quantum process tomography (QPT) and gate set tomography (GST). We also present resonant qubit operations of the hybrid qubit performed on the same device, DC pulsed gate operations of which were recently demonstrated. We demonstrate three-axis control and the implementation of dynamic decoupling pulse sequences. Performing QPT on the hybrid qubit, we show that AC gating yields π rotation process fidelities higher than 93% for X-axis and 96% for Z-axis rotations, which demonstrates efficient quantum control of semiconductor qubits using resonant microwaves. We discuss a path forward for achieving fidelities better than the threshold for quantum error correction using surface codes. This work was supported in part by ARO (W911NF-12-0607), NSF (PHY-1104660), DOE (DE-FG02-03ER46028), and by the Laboratory Directed Research and Development program at Sandia National Laboratories under contract DE-AC04-94AL85000.

TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field

NASA Astrophysics Data System (ADS)

Dziedzic, Jacek; Mao, Yuezhi; Shao, Yihan; Ponder, Jay; Head-Gordon, Teresa; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-09-01

We present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression for the Hamiltonian of the coupled QM/MM system, which we minimize using gradient methods. The QM subsystem is described by the onetep linear-scaling DFT approach, which makes use of strictly localized orbitals expressed in a set of periodic sinc basis functions equivalent to plane waves. The MM subsystem is described by the multipolar, polarizable force field AMOEBA, as implemented in tinker. Distributed multipole analysis is used to obtain, on the fly, a classical representation of the QM subsystem in terms of atom-centered multipoles. This auxiliary representation is used for all polarization interactions between QM and MM, allowing us to treat them on the same footing as in AMOEBA. We validate our method in tests of solute-solvent interaction energies, for neutral and charged molecules, demonstrating the simultaneous optimization of the quantum and classical degrees of freedom. Encouragingly, we find that the inclusion of explicit polarization in the MM part of QM/MM improves the agreement with fully QM calculations.

Short-ranged interaction effects on Z2 topological phase transitions: The perturbative mean-field method

NASA Astrophysics Data System (ADS)

Lai, Hsin-Hua; Hung, Hsiang-Hsuan

2015-02-01

Time-reversal symmetric topological insulator (TI) is a novel state of matter that a bulk-insulating state carries dissipationless spin transport along the surfaces, embedded by the Z2 topological invariant. In the noninteracting limit, this exotic state has been intensively studied and explored with realistic systems, such as HgTe/(Hg, Cd)Te quantum wells. On the other hand, electronic correlation plays a significant role in many solid-state systems, which further influences topological properties and triggers topological phase transitions. Yet an interacting TI is still an elusive subject and most related analyses rely on the mean-field approximation and numerical simulations. Among the approaches, the mean-field approximation fails to predict the topological phase transition, in particular at intermediate interaction strength without spontaneously breaking symmetry. In this paper, we develop an analytical approach based on a combined perturbative and self-consistent mean-field treatment of interactions that is capable of capturing topological phase transitions beyond either method when used independently. As an illustration of the method, we study the effects of short-ranged interactions on the Z2 TI phase, also known as the quantum spin Hall (QSH) phase, in three generalized versions of the Kane-Mele (KM) model at half-filling on the honeycomb lattice. The results are in excellent agreement with quantum Monte Carlo (QMC) calculations on the same model and cannot be reproduced by either a perturbative treatment or a self-consistent mean-field treatment of the interactions. Our analytical approach helps to clarify how the symmetries of the one-body terms of the Hamiltonian determine whether interactions tend to stabilize or destabilize a topological phase. Moreover, our method should be applicable to a wide class of models where topological transitions due to interactions are in principle possible, but are not correctly predicted by either perturbative or self-consistent treatments.

Control of radiative base recombination in the quantum cascade light-emitting transistor using quantum state overlap

NASA Astrophysics Data System (ADS)

Chen, Kanuo; Hsiao, Fu-Chen; Joy, Brittany; Dallesasse, John M.

2018-07-01

The concept of the quantum cascade light-emitting transistor (QCLET) is proposed by incorporating periodic stages of quantum wells and barriers in the completely depleted base-collector junction of a heterojunction bipolar transistor. The radiative band-to-band base recombination in the QCLET is shown to be controllable using the base-collector voltage bias for a given emitter-base biasing condition. A self-consistent Schrödinger-Poisson Equation model is built to validate the idea of the QCLET. A GaAs-based QCLET is designed and fabricated. Control of radiative band-to-band base recombination is observed and characterized. By changing the voltage across the quantum cascade region in the QCLET, the alignment of quantum states in the cascade region creates a tunable barrier for electrons that allows or suppresses emitter-injected electron flow from the p-type base through the quantum cascade region into the collector. The field-dependent electron barrier in the base-collector junction manipulates the effective minority carrier lifetime in the base and controls the radiative base recombination process. Under different quantum cascade region biasing conditions, the radiative base recombination is measured and analyzed.

Clock Controller For Ac Self-Timing Analysis Of Logic System

DOEpatents

Lo, Tinchee; Flanagan, John D.

2004-05-18

A clock controller and clock generating method are provided for AC self-test timing analysis of a logic system. The controller includes latch circuitry which receives a DC input signal at a data input, and a pair of continuous out-of-phase clock signals at capture and launch clock inputs thereof. The latch circuitry outputs two overlapping pulses responsive to the DC input signal going high. The two overlapping pulses are provided to waveform shaper circuitry which produces therefrom two non-overlapping pulses at clock speed of the logic system to be tested. The two non-overlapping pulses are a single pair of clock pulses which facilitate AC self-test timing analysis of the logic system.

Personality Disorder and Changes in Affect Consciousness: A 3-Year Follow-Up Study of Patients with Avoidant and Borderline Personality Disorder

PubMed Central

Johansen, Merete Selsbakk; Normann-Eide, Tone; Egeland, Jens

2015-01-01

Personality disorders (PDs) are highly prevalent in patients receiving psychiatric services, and are associated with significant personal and social costs. Over the past two decades, an increasing number of treatment studies have documented the effectiveness of treatment for patients with PDs, especially when it comes to reduction of symptom distress, risk taking behavior, self-harm, or suicide attempts. However, less is known about the more complex aims of improving the personality structure itself, such as identity- and interpersonal disturbances. Emotional dysfunction is closely associated with PD pathology. The present study investigated changes in affect consciousness (AC) in patients with avoidant or borderline PD, and how these changes were associated with clinical status after 3 years of follow-up. The study included 52 individuals; 79 percent were females, and mean age was 30 years. The evaluations included the Affect Consciousness Interview, Symptom Checklist-90-R, Circumplex of Interpersonal Problems, the Index of Self-Esteem, and three domains (Identity Integration, Relational Capacities, and Self-Control) of the Severity Indices of Personality Problems (SIPP-118). There was a significant increase in the Global AC and AC scores for most of the specific affects from baseline to follow-up. As the present study did not include a control group, it cannot be concluded that changes in AC are effects of psychotherapy, and the possibility of age-related maturation processes cannot be excluded. The change in Global AC contributed significantly to explained variance in the follow-up levels of Circumplex of Interpersonal Problems, and the two SIPP-118 domains Relational Capacities and Identity Integration. Improved AC was not associated with change in the Self-Control domain or the Global Severity Index of Symptom Checklist-90-R. The results suggest that AC may be altered for patients with borderline and avoidant PDs, and this is the first study to report that improvement in AC contribute significantly to the variance in the self- and interpersonal domains of personality functioning. PMID:26699730

Wentzel-Kramers-Brillouin method in the Bargmann representation. [of quantum mechanics

NASA Technical Reports Server (NTRS)

Voros, A.

1989-01-01

It is demonstrated that the Bargmann representation of quantum mechanics is ideally suited for semiclassical analysis, using as an example the WKB method applied to the bound-state problem in a single well of one degree of freedom. For the harmonic oscillator, this WKB method trivially gives the exact eigenfunctions in addition to the exact eigenvalues. For an anharmonic well, a self-consistent variational choice of the representation greatly improves the accuracy of the semiclassical ground state. Also, a simple change of scale illuminates the relationship of semiclassical versus linear perturbative expansions, allowing a variety of multidimensional extensions.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.

PubMed

Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas

2015-07-14

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.

Development of cadmium-free quantum dot for intracellular labelling through electroporation or lipid-calcium-phosphate

NASA Astrophysics Data System (ADS)

Liu, Ying-Feng; Hung, Wei-Ling; Hou, Tzh-Yin; Huang, Hsiu-Ying; Lin, Cheng-An J.

2016-04-01

Traditional fluorescent labelling techniques has severe photo-bleaching problem such as organic dyes and fluorescent protein. Quantum dots made up of traditional semiconductor (CdSe/ZnS) material has sort of biological toxicity. This research has developed novel Cd-free quantum dots divided into semiconductor (Indium phosphide, InP) and noble metal (Gold). Former has lower toxicity compared to traditional quantum dots. Latter consisting of gold (III) chloride (AuCl3) and toluene utilizes sonochemical preparation and different stimulus to regulate fluorescent wavelength. Amphoteric macromolecule surface technology and ligand Exchange in self-Assembled are involved to develop hydrophilic nanomaterials which can regulate the number of grafts per molecule of surface functional groups. Calcium phosphate (CaP) nanoparticle (NP) with an asymmetric lipid bilayer coating technology developed for intracellular delivery and labelling has synthesized Cd-free quantum dots possessing high brightness and multi-fluorescence successfully. Then, polymer coating and ligand exchange transfer to water-soluble materials to produce liposome nanomaterials as fluorescent probes and enhancing medical applications of nanotechnology.

Increase in the Random Dopant Induced Threshold Fluctuations and Lowering in Sub 100 nm MOSFETs Due to Quantum Effects: A 3-D Density-Gradient Simulation Study

NASA Technical Reports Server (NTRS)

Asenov, Asen; Slavcheva, G.; Brown, A. R.; Davies, J. H.; Saini, S.

2000-01-01

In this paper we present a detailed simulation study of the influence of quantum mechanical effects in the inversion layer on random dopant induced threshold voltage fluctuations and lowering in sub 100 nm MOSFETs. The simulations have been performed using a 3-D implementation of the density gradient (DG) formalism incorporated in our established 3-D atomistic simulation approach. This results in a self-consistent 3-D quantum mechanical picture, which implies not only the vertical inversion layer quantisation but also the lateral confinement effects related to current filamentation in the 'valleys' of the random potential fluctuations. We have shown that the net result of including quantum mechanical effects, while considering statistical dopant fluctuations, is an increase in both threshold voltage fluctuations and lowering. At the same time, the random dopant induced threshold voltage lowering partially compensates for the quantum mechanical threshold voltage shift in aggressively scaled MOSFETs with ultrathin gate oxides.

Can quantum coherent solar cells break detailed balance?

NASA Astrophysics Data System (ADS)

Kirk, Alexander P.

2015-07-01

Carefully engineered coherent quantum states have been proposed as a design attribute that is hypothesized to enable solar photovoltaic cells to break the detailed balance (or radiative) limit of power conversion efficiency by possibly causing radiative recombination to be suppressed. However, in full compliance with the principles of statistical mechanics and the laws of thermodynamics, specially prepared coherent quantum states do not allow a solar photovoltaic cell—a quantum threshold energy conversion device—to exceed the detailed balance limit of power conversion efficiency. At the condition given by steady-state open circuit operation with zero nonradiative recombination, the photon absorption rate (or carrier photogeneration rate) must balance the photon emission rate (or carrier radiative recombination rate) thus ensuring that detailed balance prevails. Quantum state transitions, entropy-generating hot carrier relaxation, and photon absorption and emission rate balancing are employed holistically and self-consistently along with calculations of current density, voltage, and power conversion efficiency to explain why detailed balance may not be violated in solar photovoltaic cells.

Effects of a nearby Mn delta layer on the optical properties of an InGaAs/GaAs quantum well

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balanta, M. A. G., E-mail: magbfisc@ifi.unicamp.br; Brasil, M. J. S. P.; Iikawa, F.

We investigated the effects of nearby Mn ions on the confined states of a InGaAs/GaAs quantum well through circularly polarized and magneto-optical measurements. The addition of a Mn delta-doping layer at the barrier close to the well gives rise to surprisingly narrow absorption peaks in the photoluminescence excitation spectra. The peaks become increasingly stronger for decreasing spacer-layer thicknesses between the quantum well and the Mn layer. Most of the peaks were identified based on self-consistent calculations; however, we observed additional peaks that cannot be identified with quantum well transitions, which origin we attribute to an enhanced exciton-phonon coupling. Finally, wemore » discuss possible effects related to the exciton magneto-polaron complex in the reinforcement of the photoluminescence excitation peaks.« less

Unconventional and conventional quantum criticalities in CeRh0.58Ir0.42In5

NASA Astrophysics Data System (ADS)

Luo, Yongkang; Lu, Xin; Dioguardi, Aadm P.; Rosa, Priscila F. S.; Bauer, Eric D.; Si, Qimiao; Thompson, Joe D.

2018-03-01

An appropriate description of the state of matter that appears as a second order phase transition is tuned toward zero temperature, viz. quantum-critical point (QCP), poses fundamental and still not fully answered questions. Experiments are needed both to test basic conclusions and to guide further refinement of theoretical models. Here, charge and entropy transport properties as well as AC specific heat of the heavy-fermion compound CeRh0.58Ir0.42In5, measured as a function of pressure, reveal two qualitatively different QCPs in a single material driven by a single non-symmetry-breaking tuning parameter. A discontinuous sign-change jump in thermopower suggests an unconventional QCP at pc1 accompanied by an abrupt Fermi-surface reconstruction that is followed by a conventional spin-density-wave critical point at pc2 across which the Fermi surface evolves smoothly to a heavy Fermi-liquid state. These experiments are consistent with some theoretical predictions, including the sequence of critical points and the temperature dependence of the thermopower in their vicinity.

Allergic conjunctivitis and dry eye syndrome.

PubMed

Hom, Milton M; Nguyen, Andrew L; Bielory, Leonard

2012-03-01

Allergic conjunctivitis (AC) and dry eye syndrome (DES) are 2 of the most common anterior inflammatory disorders of the ocular surface and one does not preclude the coexistence of the other. To examine the potential overlap between AC and DES as comorbidities. Using the validated questionnaire known as Subjective Evaluation of Symptom of Dryness, we studied self-reported itchiness, dryness, and redness. In an outpatient optometric setting, 689 patients treated from January 1, 2007, to January 1, 2011, were surveyed for their ocular history and categorized according to their reported level of discomfort of itchiness, dryness, and redness. Patients ranged in age from 5 to 90 years (median age, 25 years; 39.5% male; 60.5% female). In the studied 689 patients, clinically significant itchiness was found in 194 (28.2%), dry eyes in 247 (35.8%), and redness in 194 (28.2%). Symptom overlap was demonstrated in many of the patients. Of the 194 patients with itchiness, 112 (57.7%) had clinically significant dryness. In the 247 patients with dry eyes, 112 (45.3%) had clinically significant itch. Redness was apparent in 120 of the 194 patients with itch (61.9%) and 122 of the 247 patients with dryness (49.4%). Statistical analysis demonstrated that self-reported itchiness, dryness, and redness were not independent of each other (P<.001; Pearson χ(2) test). The odds of patients with "itchy eyes" also experiencing dry eyes were 2.11 times and the odds of these patients also experiencing redness were 7.34 times that of patients with nonitchy eyes. Most patients with "itchy eyes" consistent with AC also have dry eyes and redness. These results suggest that some symptomatic patients concomitantly have features of AC and DES. Copyright © 2012 American College of Allergy, Asthma & Immunology. Published by Elsevier Inc. All rights reserved.

Full-band quantum simulation of electron devices with the pseudopotential method: Theory, implementation, and applications

NASA Astrophysics Data System (ADS)

Pala, M. G.; Esseni, D.

2018-03-01

This paper presents the theory, implementation, and application of a quantum transport modeling approach based on the nonequilibrium Green's function formalism and a full-band empirical pseudopotential Hamiltonian. We here propose to employ a hybrid real-space/plane-wave basis that results in a significant reduction of the computational complexity compared to a full plane-wave basis. To this purpose, we provide a theoretical formulation in the hybrid basis of the quantum confinement, the self-energies of the leads, and the coupling between the device and the leads. After discussing the theory and the implementation of the new simulation methodology, we report results for complete, self-consistent simulations of different electron devices, including a silicon Esaki diode, a thin-body silicon field effect transistor (FET), and a germanium tunnel FET. The simulated transistors have technologically relevant geometrical features with a semiconductor film thickness of about 4 nm and a channel length ranging from 10 to 17 nm. We believe that the newly proposed formalism may find applications also in transport models based on ab initio Hamiltonians, as those employed in density functional theory methods.

Development of mono- and di-AcO substituted BODIPYs on the boron center.

PubMed

Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili

2012-01-06

Mono- and di-AcO substituted BODIPYs (1 and 2) were synthesized from TM-BDP. The structures of 1 and 2 were supported by single crystal X-ray analysis. Both 1 and 2 possess a large absorption coefficient, high fluorescence quantum yield, and high light stability. Compound 2 has much improved water solubility which is highly desirable for biological applications. Theoretical calculation supports our observations in X-ray analysis, absorption, and cyclic voltammetry. © 2011 American Chemical Society

Quantum critical scaling near the antiferromagnetic quantum critical point in CeCu6-xPdx

NASA Astrophysics Data System (ADS)

Wu, Liusuo; Poudel, L.; May, A. F.; Nelson, W. L.; Gallagher, A.; Lai, Y.; Graf, D. E.; Besara, T.; Siegrist, T. M.; Baumbach, R.; Ehlers, G.; Podlesnyak, A. A.; Lumsden, M. D.; Mandrus, D.; Christianson, A. D.

A remarkable behavior of many quantum critical systems is the scaling of physical properties such as the dynamic susceptibility near a quantum critical point (QCP), where Fermi liquid physics usually break down. The quantum critical behavior in the vicinity of a QCP in metallic systems remains an important open question. In particular, a self-consistent universal scaling of both magnetic susceptibility and the specific heat remains missing for most cases. Recently, we have studied CeCu6-xTx (T =Au, Ag, Pd), which is a prototypical heavy fermion material that hosts an antiferromagnetic (AF) QCP. We have investigated the low temperature thermal properties including the specific heat and magnetic susceptibility. We also investigated the spin fluctuation spectrum at both critical doping and within the magnetically ordered phase. A key finding is the spin excitations exhibit a strong Ising character, resulting in the strong suppression of transverse fluctuations. A detailed scaling analysis of the quantum critical behaviors relating the thermodynamic properties to the dynamic susceptibility will be presented. DOE, ORNL LDRD.

The effect of malocclusion and self-perceived aesthetics on the self-esteem of a sample of Jordanian adolescents.

PubMed

Badran, Serene Adnan

2010-12-01

The aims of this study were to evaluate the effect of normative treatment need, perceived social impact of malocclusion and satisfaction with dental appearance on self-perceived treatment need, self-perceived aesthetics, and self-esteem; the influence of self-perceived need and aesthetics on self-esteem; and whether receipt of orthodontic treatment influences self-esteem. A questionnaire was administered to a random sample of 410 students (195 males and 215 females) aged 14-16 years. Self-esteem was measured using the Global Negative Self-Evaluation (GSE) scale. The Aesthetic and Dental Health Components (AC and DHC) of the Index of Orthodontic Treatment Need (IOTN) were used to assess orthodontic treatment need. Students' AC scores determined their self-perceived dental aesthetics. Spearman correlation coefficient was used to analyse the association between all variables, and multiple stepwise regression analysis to study the effect of independent variables on self-perceived need for treatment, self-perceived aesthetics, and self-esteem. A correlation existed between the students' and examiner's AC scores (P < 0.01); however, students were less critical in evaluating their aesthetic appearance. Students who perceived themselves in need of treatment had a great need for treatment, as assessed by the DHC and the AC of the IOTN (r = 0.421 and 0.489, respectively), were dissatisfied with their dental appearance (r = 0.542) and avoided smiling to hide their teeth (r = 0.457). Students who scored high on the GSE scale perceived a need for orthodontic treatment, evaluated their dental aesthetics poorly, perceived an impact of malocclusion on social acceptance, and had a great normative orthodontic treatment need; the correlation, however, was weak with r values ranging from 0.134 to 0.317. Students who had received orthodontic treatment showed greater self-esteem than those who had not, although the correlation was weak. Dissatisfaction with dental appearance had a strong predictive effect on self-esteem.

Skyrmions Driven by Intrinsic Magnons

NASA Astrophysics Data System (ADS)

Psaroudaki, Christina; Loss, Daniel

2018-06-01

We study the dynamics of a Skyrmion in a magnetic insulating nanowire in the presence of time-dependent oscillating magnetic field gradients. These ac fields act as a net driving force on the Skyrmion via its own intrinsic magnetic excitations. In a microscopic quantum field theory approach, we include the unavoidable coupling of the external field to the magnons, which gives rise to time-dependent dissipation for the Skyrmion. We demonstrate that the magnetic ac field induces a super-Ohmic to Ohmic crossover behavior for the Skyrmion dissipation kernels with time-dependent Ohmic terms. The ac driving of the magnon bath at resonance results in a unidirectional helical propagation of the Skyrmion in addition to the otherwise periodic bounded motion.

Extended Gravity: State of the Art and Perspectives

NASA Astrophysics Data System (ADS)

Capozziello, Salvatore; de Laurentis, Mariafelicia

2015-01-01

Several issues coming from Cosmology, Astrophysics and Quantum Field Theory suggest to extend the General Relativity in order to overcome several shortcomings emerging at conceptual and experimental level. From one hand, standard Einstein theory fails as soon as one wants to achieve a full quantum description of space-time. In fact, the lack of a final self-consistent Quantum Gravity Theory can be considered one of the starting points for alternative theories of gravity. Specifically, the approach based on corrections and enlargements of the Einstein scheme, have become a sort of paradigm in the study of gravitational interaction. On the other hand, such theories have acquired great interest in cosmology since they "naturally" exhibit inflationary behaviours which can overcome the shortcomings of standard cosmology. From an astrophysical point of view, Extended Theories of Gravity do not require to find candidates for dark energy and dark matter at fundamental level; the approach starts from taking into account only the "observed" ingredients (i.e., gravity, radiation and baryonic matter); it is in full agreement with the early spirit of General Relativity but one has to relax the strong hypothesis that gravity acts at same way at all scales. Several scalar-tensor and f(R)-models agree with observed cosmology, extragalactic and galactic observations and Solar System tests, and give rise to new effects capable of explaining the observed acceleration of cosmic fluid and the missing matter effect of self-gravitating structures. Despite these preliminary results, no final model addressing all the open issues is available at the moment, however the paradigm seems promising in order to achieve a complete and self-consistent theory working coherently at all interaction scales.

Responsiveness to Self-Report Interview Questions by Adults With Intellectual and Developmental Disability.

PubMed

Stancliffe, Roger J; Tichá, Renáta; Larson, Sheryl A; Hewitt, Amy S; Nord, Derek

2015-06-01

An important line of research involves asking people with intellectual and developmental disability (IDD) to self-report their experiences and opinions. We analyzed the responsiveness of 11,391 adult users of IDD services to interview questions from Section 1 of the 2008-2009 National Core Indicators-Adult Consumer Survey (NCI-ACS). Proxy responses were not allowed for the selected questions. Overall, 62.1% of participants answered the questions and were rated by interviewers as understanding the questions and as responding consistently. Most participants responded in an all-or-none fashion, answering either all or most questions or few to none. Individuals with milder levels of IDD and with speech as their primary means of expression were more likely to answer the questions and provide a scoreable response. Interviewer ratings of interviewees' answering questions, understanding of questions, and consistent responding were each related to responsiveness.

Improved Tribological Performance of Amorphous Carbon (a-C) Coating by ZrO₂ Nanoparticles.

PubMed

Tang, Jinzhu; Ding, Qi; Zhang, Songwei; Wu, Guizhi; Hu, Litian

2016-09-22

Nanomaterials, such as Graphene, h-BN nanoparticles and MoS₂ nanotubes, have shown their ability in improving the tribological performance of amorphous carbon (a-C) coatings. In the current study, the effectiveness of ZrO₂ nanoparticles (ZrO₂-NPs) in lubricating the self-mated nonhydrogenated a-C contacts was investigated in boundary lubrication regime. The results showed that 13% less friction and 50% less wear compared to the base oil were achieved by employing ZrO₂-NPs in the base oil in self-mated a-C contacts. Via analyzing the ZrO₂-NPs and the worn a-C surface after tests, it was found that the improved lubrication by ZrO₂-NPs was based on "polishing effects", which is a new phenomenon observed between a-C and nanoparticles. Under the "polishing effect", micro-plateaus with extremely smooth surface and uniform height were produced on the analyzed a-C surface. The resulting topography of the a-C coating is suitable for ZrO₂-NPs to act as nano-bearings between rubbing surfaces. Especially, the ZrO₂-NPs exhibited excellent mechanical and chemical stability, even under the severe service condition, suggesting that the combination of nonhydrogenated a-C coating with ZrO₂-NPs is an effective, long lasting and environment-friendly lubrication solution.

Quantum effects in amplitude death of coupled anharmonic self-oscillators

NASA Astrophysics Data System (ADS)

Amitai, Ehud; Koppenhöfer, Martin; Lörch, Niels; Bruder, Christoph

2018-05-01

Coupling two or more self-oscillating systems may stabilize their zero-amplitude rest state, therefore quenching their oscillation. This phenomenon is termed "amplitude death." Well known and studied in classical self-oscillators, amplitude death was only recently investigated in quantum self-oscillators [Ishibashi and Kanamoto, Phys. Rev. E 96, 052210 (2017), 10.1103/PhysRevE.96.052210]. Quantitative differences between the classical and quantum descriptions were found. Here, we demonstrate that for quantum self-oscillators with anharmonicity in their energy spectrum, multiple resonances in the mean phonon number can be observed. This is a result of the discrete energy spectrum of these oscillators, and is not present in the corresponding classical model. Experiments can be realized with current technology and would demonstrate these genuine quantum effects in the amplitude death phenomenon.

Frequency Dependence of Low-Voltage Electrowetting Investigated by Impedance Spectroscopy.

PubMed

Li, Ying-Jia; Cahill, Brian P

2017-11-14

An electrowetting-on-dielectric (EWOD) electrode was developed that facilitates the use of low alternating voltages (≤5 V AC ). This allows online investigation of the frequency dependence of electrowetting by means of impedance spectroscopy. The EWOD electrode is based on a dielectric bilayer consisting of an anodic tantalum pentoxide (Ta 2 O 5 ) thin film (d = 59.35 nm) with a high relative permittivity (ε d = 26.3) and a self-assembled hydrophobic silane monolayer. The frequency dependence of electrowetting was studied using an aqueous μL-sized sessile droplet on the planar EWOD electrode in oil. Experiments using electrochemical impedance spectroscopy and optical imaging indicate the frequency dependence of all three variables in the Young-Lippmann equation: the voltage drop across the dielectric layers, capacitance per unit area, and contact angle under voltage. The electrowetting behavior induced by AC voltages is shown to be well described by the Young-Lippmann equation for AC applications below a frequency threshold. Moreover, the dielectric layers act as a capacitor and the stored electrostatic potential energy is revealed to only partially contribute to the electrowetting.

FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin

NASA Astrophysics Data System (ADS)

Arjunan, V.; Sakiladevi, S.; Marchewka, M. K.; Mohan, S.

2013-05-01

3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. 1H and 13C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G**, high level 6-311++G** and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method.

Theoretical and experimental study of AC electrical conduction mechanism in the low temperature range of p-CuIn3Se5

NASA Astrophysics Data System (ADS)

Essaleh, L.; Amhil, S.; Wasim, S. M.; Marín, G.; Choukri, E.; Hajji, L.

2018-05-01

In the present work, an attempt has been made to study theoretically and experimentally the AC electrical conduction mechanism in disordered semiconducting materials. The key parameter considered in this analysis is the frequency exponent s(ω , T) =( ∂ln(σAC(ω , T))/∂ ln(ω)T , where σAC is the AC electrical conductivity that depends on angular frequency ω and temperature T. In the theoretical part of this work, the effect of the barrier hopping energy, the polaron radius and the characteristic relaxation time is considered. The theoretical models of Quantum Mechanical Tunneling (QMT), Non overlapping Small Polaron Tunneling (NSPT), Overlapping Large Polaron Tunneling (OLPT) and Correlated Barrier Hopping (CBH) are considered to fit experimental data of σAC in p-CuIn3Se5 (p-CIS135) in the low temperature range up to 96 K. Some important parameters, as the polaron radius, the localization length and the barrier hopping energies, are estimated and their temperature and frequency dependence discussed.

Vortex mass in a superfluid

NASA Astrophysics Data System (ADS)

Simula, Tapio

2018-02-01

We consider the inertial mass of a vortex in a superfluid. We obtain a vortex mass that is well defined and is determined microscopically and self-consistently by the elementary excitation energy of the kelvon quasiparticle localized within the vortex core. The obtained result for the vortex mass is found to be consistent with experimental observations on superfluid quantum gases and vortex rings in water. We propose a method to measure the inertial rest mass and Berry phase of a vortex in superfluid Bose and Fermi gases.

Circuit quantum acoustodynamics with surface acoustic waves.

PubMed

Manenti, Riccardo; Kockum, Anton F; Patterson, Andrew; Behrle, Tanja; Rahamim, Joseph; Tancredi, Giovanna; Nori, Franco; Leek, Peter J

2017-10-17

The experimental investigation of quantum devices incorporating mechanical resonators has opened up new frontiers in the study of quantum mechanics at a macroscopic level. It has recently been shown that surface acoustic waves (SAWs) can be piezoelectrically coupled to superconducting qubits, and confined in high-quality Fabry-Perot cavities in the quantum regime. Here we present measurements of a device in which a superconducting qubit is coupled to a SAW cavity, realising a surface acoustic version of cavity quantum electrodynamics. We use measurements of the AC Stark shift between the two systems to determine the coupling strength, which is in agreement with a theoretical model. This quantum acoustodynamics architecture may be used to develop new quantum acoustic devices in which quantum information is stored in trapped on-chip acoustic wavepackets, and manipulated in ways that are impossible with purely electromagnetic signals, due to the 10 5 times slower mechanical waves.In this work, Manenti et al. present measurements of a device in which a tuneable transmon qubit is piezoelectrically coupled to a surface acoustic wave cavity, realising circuit quantum acoustodynamic architecture. This may be used to develop new quantum acoustic devices.

Stochastic dark energy from inflationary quantum fluctuations

NASA Astrophysics Data System (ADS)

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.

Assessment of self taken swabs versus clinician taken swab cultures for diagnosing gonorrhoea in women: single centre, diagnostic accuracy study.

PubMed

Stewart, Catherine M W; Schoeman, Sarah A; Booth, Russell A; Smith, Susan D; Wilcox, Mark H; Wilson, Janet D

2012-12-12

To compare gonorrhoea detection by self taken vulvovaginal swabs (tested with nucleic acid amplification tests) with the culture of urethral and endocervical samples taken by clinicians. Prospective study of diagnostic accuracy. 1 sexual health clinic in an urban setting (Leeds Centre for Sexual Health, United Kingdom), between March 2009 and January 2010. Women aged 16 years or older, attending the clinic for sexually transmitted infection (STI) testing and consenting to perform a vulvovaginal swab themselves before routine examination. During examination, clinicians took urethral and endocervical samples for culture and an endocervical swab for nucleic acid amplification testing. Urethra and endocervix samples were analysed by gonococcal culture. Vulvovaginal swabs and endocervical swabs were analysed by the Aptima Combo 2 (AC2) assay; positive results from this assay were confirmed with a second nucleic acid amplification test. Positive confirmation of gonorrhoea. Of 3859 women with complete data and test results, 96 (2.5%) were infected with gonorrhoea (overall test sensitivities: culture 81%, endocervical swabs with AC2 96%, vulvovaginal swabs with AC2 99%). The AC2 assays were more sensitive than culture (P<0.001), but the endocervical and vulvovaginal assays did not differ significantly (P=0.375). Specificity of all Aptima Combo 2 tests was 100%. Of 1625 women who had symptoms suggestive of a bacterial STI, 56 (3.4%) had gonorrhoea (culture 84%, endocervical AC2 100%, vulvovaginal AC2 100%). The AC2 assays were more sensitive than culture (P=0.004), and the endocervical and vulvovaginal assays were equivalent to each other. Of 2234 women who did not have symptoms suggesting a bacterial STI, 40 (1.8%) had gonorrhoea (culture 78%, endocervical AC2 90%, vulvovaginal AC2 98%). The vulvovaginal swab was more sensitive than culture (P=0.008), but there was no difference between the endocervical and vulvovaginal AC2 assays (P=0.375) or between the endocervical AC2 assay and culture (P=0.125). The endocervical swab assay performed less well in women without symptoms of a bacterial STI than in those with symptoms (90% v 100%, P=0.028), whereas the vulvovaginal swab assay performed similarly (98% v 100%, P=0.42). Self taken vulvovaginal swabs analysed by nucleic acid amplification tests are significantly more sensitive at detecting gonorrhoea than culture of clinician taken urethral and endocervical samples, and are equivalent to endocervical swabs analysed by nucleic acid amplification tests. Self taken vulvovaginal swabs are the sample of choice in women without symptoms and have the advantage of being non-invasive. In women who need a clinical examination, either a clinician taken or self taken vulvovaginal swab is recommended.

2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

NASA Technical Reports Server (NTRS)

Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

2001-01-01

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

Feasibility of self-correcting quantum memory and thermal stability of topological order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshida, Beni, E-mail: rouge@mit.edu

2011-10-15

Recently, it has become apparent that the thermal stability of topologically ordered systems at finite temperature, as discussed in condensed matter physics, can be studied by addressing the feasibility of self-correcting quantum memory, as discussed in quantum information science. Here, with this correspondence in mind, we propose a model of quantum codes that may cover a large class of physically realizable quantum memory. The model is supported by a certain class of gapped spin Hamiltonians, called stabilizer Hamiltonians, with translation symmetries and a small number of ground states that does not grow with the system size. We show that themore » model does not work as self-correcting quantum memory due to a certain topological constraint on geometric shapes of its logical operators. This quantum coding theoretical result implies that systems covered or approximated by the model cannot have thermally stable topological order, meaning that systems cannot be stable against both thermal fluctuations and local perturbations simultaneously in two and three spatial dimensions. - Highlights: > We define a class of physically realizable quantum codes. > We determine their coding and physical properties completely. > We establish the connection between topological order and self-correcting memory. > We find they do not work as self-correcting quantum memory. > We find they do not have thermally stable topological order.« less

Quantum criticality of a spin-1 XY model with easy-plane single-ion anisotropy via a two-time Green function approach avoiding the Anderson-Callen decoupling

NASA Astrophysics Data System (ADS)

Mercaldo, M. T.; Rabuffo, I.; De Cesare, L.; Caramico D'Auria, A.

2016-04-01

In this work we study the quantum phase transition, the phase diagram and the quantum criticality induced by the easy-plane single-ion anisotropy in a d-dimensional quantum spin-1 XY model in absence of an external longitudinal magnetic field. We employ the two-time Green function method by avoiding the Anderson-Callen decoupling of spin operators at the same sites which is of doubtful accuracy. Following the original Devlin procedure we treat exactly the higher order single-site anisotropy Green functions and use Tyablikov-like decouplings for the exchange higher order ones. The related self-consistent equations appear suitable for an analysis of the thermodynamic properties at and around second order phase transition points. Remarkably, the equivalence between the microscopic spin model and the continuous O(2) -vector model with transverse-Ising model (TIM)-like dynamics, characterized by a dynamic critical exponent z=1, emerges at low temperatures close to the quantum critical point with the single-ion anisotropy parameter D as the non-thermal control parameter. The zero-temperature critic anisotropy parameter Dc is obtained for dimensionalities d > 1 as a function of the microscopic exchange coupling parameter and the related numerical data for different lattices are found to be in reasonable agreement with those obtained by means of alternative analytical and numerical methods. For d > 2, and in particular for d=3, we determine the finite-temperature critical line ending in the quantum critical point and the related TIM-like shift exponent, consistently with recent renormalization group predictions. The main crossover lines between different asymptotic regimes around the quantum critical point are also estimated providing a global phase diagram and a quantum criticality very similar to the conventional ones.

2D Quantum Mechanical Study of Nanoscale MOSFETs

NASA Technical Reports Server (NTRS)

Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, B.; Kwak, Dochan (Technical Monitor)

2000-01-01

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Quantum walks with tuneable self-avoidance in one dimension

PubMed Central

Camilleri, Elizabeth; Rohde, Peter P.; Twamley, Jason

2014-01-01

Quantum walks exhibit many unique characteristics compared to classical random walks. In the classical setting, self-avoiding random walks have been studied as a variation on the usual classical random walk. Here the walker has memory of its previous locations and preferentially avoids stepping back to locations where it has previously resided. Classical self-avoiding random walks have found numerous algorithmic applications, most notably in the modelling of protein folding. We consider the analogous problem in the quantum setting – a quantum walk in one dimension with tunable levels of self-avoidance. We complement a quantum walk with a memory register that records where the walker has previously resided. The walker is then able to avoid returning back to previously visited sites or apply more general memory conditioned operations to control the walk. We characterise this walk by examining the variance of the walker's distribution against time, the standard metric for quantifying how quantum or classical a walk is. We parameterise the strength of the memory recording and the strength of the memory back-action on the walker, and investigate their effect on the dynamics of the walk. We find that by manipulating these parameters, which dictate the degree of self-avoidance, the walk can be made to reproduce ideal quantum or classical random walk statistics, or a plethora of more elaborate diffusive phenomena. In some parameter regimes we observe a close correspondence between classical self-avoiding random walks and the quantum self-avoiding walk. PMID:24762398

Cauchy problem in spacetimes with closed timelike curves

NASA Astrophysics Data System (ADS)

Friedman, John; Morris, Michael S.; Novikov, Igor D.; Echeverria, Fernando; Klinkhammer, Gunnar; Thorne, Kip S.; Yurtsever, Ulvi

1990-09-01

The laws of physics might permit the existence, in the real Universe, of closed timelike curves (CTC's). Macroscopic CTC's might be a semiclassical consequence of Planck-scale, quantum gravitational, Lorentzian foam, if such foam exists. If CTC's are permitted, then the semiclassical laws of physics (the laws with gravity classical and other fields quantized or classical) should be augmented by a principle of self-consistency, which states that a local solution to the equations of physics can occur in the real Universe only if it can be extended to be part of a global solution, one which is well defined throughout the (nonsingular regions of) classical spacetime. The consequences of this principle are explored for the Cauchy problem of the evolution of a classical, massless scalar field Φ (satisfying □Φ=0) in several model spacetimes with CTC's. In general, self-consistency constrains the initial data for the field Φ. For a family of spacetimes with traversible wormholes, which initially possess no CTC's and then evolve them to the future of a stable Cauchy horizon scrH, self-consistency seems to place no constraints on initial data for Φ that are posed on past null infinity, and none on data posed on spacelike slices which precede scrH. By contrast, initial data posed in the future of scrH, where the CTC's reside, are constrained; but the constraints appear to be mild in the sense that in some neighborhood of every event one is free to specify initial data arbitrarily, with the initial data elsewhere being adjusted to guarantee self-consistent evolution. A spacetime whose self-consistency constraints have this property is defined to be ``benign with respect to the scalar field Φ.'' The question is posed as to whether benign spacetimes in some sense form a generic subset of all spacetimes with CTC's. It is shown that in the set of flat, spatially and temporally closed, 2-dimensional spacetimes the benign ones are not generic. However, it seems likely that every 4-dimensional, asymptotically flat space-time that is stable and has a topology of the form R×(S-one point), where S is a closed 3-manifold, is benign. Wormhole spacetimes are of this type, with S=S1×S2. We suspect that these types of self-consistency behavior of the scalar field Φ are typical for noninteracting (linearly superposing), classical fields. However, interacting classical systems can behave quite differently, as is demonstrated by a study of the motion of a hard-sphere billiard ball in a wormhole spacetime with closed timelike curves: If the ball is classical, then some choices of initial data (some values of the ball's initial position and velocity) give rise to unique, self-consistent motions of the ball; other choices produce two different self-consistent motions; and others might (but we are not yet sure) produce no self-consistent motions whatsoever. By contrast, in a path-integral formulation of the nonrelativistic quantum mechanics of such a billiard ball, there appears to be a unique, self-consistent set of probabilities for the outcomes of all measurements. This paper's conclusion, that CTC's may not be as nasty as people have assumed, is reinforced by the fact that they do not affect Gauss's theorem and thus do not affect the derivation of global conservation laws from differential ones. The standard conservation laws remain valid globally, and in asymptotically flat, wormhole spacetimes they retain a natural, quasilocal interpretation.

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

PubMed

Gaus, Michael; Cui, Qiang; Elstner, Marcus

2012-04-10

The self-consistent-charge density-functional tight-binding method (SCC-DFTB) is an approximate quantum chemical method derived from density functional theory (DFT) based on a second-order expansion of the DFT total energy around a reference density. In the present study we combine earlier extensions and improve them consistently with, first, an improved Coulomb interaction between atomic partial charges, and second, the complete third-order expansion of the DFT total energy. These modifications lead us to the next generation of the DFTB methodology called DFTB3, which substantially improves the description of charged systems containing elements C, H, N, O, and P, especially regarding hydrogen binding energies and proton affinities. As a result, DFTB3 is particularly applicable to biomolecular systems. Remaining challenges and possible solutions are also briefly discussed.

Perfect Spin Filter by Periodic Drive of a Ferromagnetic Quantum Barrier

NASA Astrophysics Data System (ADS)

Thuberg, Daniel; Muñoz, Enrique; Eggert, Sebastian; Reyes, Sebastián A.

2017-12-01

We consider the problem of particle tunneling through a periodically driven ferromagnetic quantum barrier connected to two leads. The barrier is modeled by an impurity site representing a ferromagnetic layer or a quantum dot in a tight-binding Hamiltonian with a local magnetic field and an ac-driven potential, which is solved using the Floquet formalism. The repulsive interactions in the quantum barrier are also taken into account. Our results show that the time-periodic potential causes sharp resonances of perfect transmission and reflection, which can be tuned by the frequency, the driving strength, and the magnetic field. We demonstrate that a device based on this configuration could act as a highly tunable spin valve for spintronic applications.

Creativity and Quantum Physics: a New World View Unifying Current Theories of Creativity and Pointing Toward New Research Methodologies.

NASA Astrophysics Data System (ADS)

McCarthy, Kimberly Ann

1990-01-01

Divisions in definitions of creativity have centered primarily on the working definition of discontinuity and the inclusion of intrinsic features such as unconscious processing and intrinsic motivation and reinforcement. These differences generally result from Cohen's two world views underlying theories of creativity: Organismic, oriented toward holism; or mechanistic, oriented toward cause-effect reductionism. The quantum world view is proposed which theoretically and empirically unifies organismic and mechanistic elements of creativity. Based on Goswami's Idealistic Interpretation of quantum physics, the quantum view postulates the mind -brain as consisting of both classical and quantum structures and functions. The quantum domain accesses the transcendent order through coherent superpositions (a state of potentialities), while the classical domain performs the function of measuring apparatus through amplifying and recording the result of the collapse of the pure mental state. A theoretical experiment, based on the 1980 Marcel study of conscious and unconscious word-sense disambiguation, is conducted which compares the predictions of the quantum model with those of the 1975 Posner and Snyder Facilitation and Inhibition model. Each model agrees that while conscious access to information is limited, unconscious access is unlimited. However, each model differently defines the connection between these states: The Posner model postulates a central processing mechanism while the quantum model postulates a self-referential consciousness. Consequently, the two models predict differently. The strength of the quantum model lies in its ability to distinguish between classical and quantum definitions of discontinuity, as well as clarifying the function of consciousness, without added assumptions or ad-hoc analysis: Consciousness is an essential, valid feature of quantum mechanisms independent of the field of cognitive psychology. According to the quantum model, through a cycle of conscious and unconscious processing, various contexts are accessed, specifically, coherent superposition states and the removal of the subject-object dichotomy in unconscious processing. Coupled with a high tolerance for ambiguity, the individual has access not only to an increased quantity of information, but is exposed to this information in the absence of a self-referential or biased context, the result of which is an increase in creative behavior.

The ultraviolet behavior of quantum gravity

NASA Astrophysics Data System (ADS)

Anselmi, Damiano; Piva, Marco

2018-05-01

A theory of quantum gravity has been recently proposed by means of a novel quantization prescription, which is able to turn the poles of the free propagators that are due to the higher derivatives into fakeons. The classical Lagrangian contains the cosmological term, the Hilbert term, √{-g}{R}_{μ ν }{R}^{μ ν } and √{-g}{R}^2 . In this paper, we compute the one-loop renormalization of the theory and the absorptive part of the graviton self energy. The results illustrate the mechanism that makes renormalizability compatible with unitarity. The fakeons disentangle the real part of the self energy from the imaginary part. The former obeys a renormalizable power counting, while the latter obeys the nonrenormalizable power counting of the low energy expansion and is consistent with unitarity in the limit of vanishing cosmological constant. The value of the absorptive part is related to the central charge c of the matter fields coupled to gravity.

A conformation-selective IR-UV study of the dipeptides Ac-Phe-Ser-NH2 and Ac-Phe-Cys-NH2: probing the SH···O and OH···O hydrogen bond interactions.

PubMed

Yan, Bin; Jaeqx, Sander; van der Zande, Wim J; Rijs, Anouk M

2014-06-14

The conformational preferences of peptides are mainly controlled by the stabilizing effect of intramolecular interactions. In peptides with polar side chains, not only the backbone but also the side chain interactions determine the resulting conformations. In this paper, the conformational preferences of the capped dipeptides Ac-Phe-Ser-NH2 (FS) and Ac-Phe-Cys-NH2 (FC) are resolved under laser-desorbed jet cooling conditions using IR-UV ion dip spectroscopy and density functional theory (DFT) quantum chemistry calculations. As serine (Ser) and cysteine (Cys) only differ in an OH (Ser) or SH (Cys) moiety; this subtle alteration allows us to study the effect of the difference in hydrogen bonding for an OH and SH group in detail, and its effect on the secondary structure. IR absorption spectra are recorded in the NH stretching region (3200-3600 cm(-1)). In combination with quantum chemical calculations the spectra provide a direct view of intramolecular interactions. Here, we show that both FS as FC share a singly γ-folded backbone conformation as the most stable conformer. The hydrogen bond strength of OH···O (FS) is stronger than that of SH···O (FC), resulting in a more compact gamma turn structure. A second conformer is found for FC, showing a β turn interaction.

Stationary self-focusing of intense laser beam in cold quantum plasma using ramp density profile

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habibi, M.; Ghamari, F.

2012-10-15

By using a transient density profile, we have demonstrated stationary self-focusing of an electromagnetic Gaussian beam in cold quantum plasma. The paper is devoted to the prospects of using upward increasing ramp density profile of an inhomogeneous nonlinear medium with quantum effects in self-focusing mechanism of high intense laser beam. We have found that the upward ramp density profile in addition to quantum effects causes much higher oscillation and better focusing of laser beam in cold quantum plasma in comparison to that in the classical relativistic case. Our computational results reveal the importance and influence of formation of electron densitymore » profiles in enhancing laser self-focusing.« less

(1) Majorana fermions in pinned vortices; (2) Manipulating and probing Majorana fermions using superconducting circuits; and (3) Controlling a nanowire spin-orbit qubit via electric-dipole spin resonance

NASA Astrophysics Data System (ADS)

Nori, Franco

2014-03-01

We study a heterostructure which consists of a topological insulator and a superconductor with a hole. This system supports a robust Majorana fermion state bound to the vortex core. We study the possibility of using scanning tunneling spectroscopy (i) to detect the Majorana fermion in this setup and (ii) to study excited states bound to the vortex core. The Majorana fermion manifests itself as an H-dependent zero-bias anomaly of the tunneling conductance. The excited states spectrum differs from the spectrum of a typical Abrikosov vortex, providing additional indirect confirmation of the Majorana state observation. We also study how to manipulate and probe Majorana fermions using super-conducting circuits. In we consider a semiconductor nanowire quantum dot with strong spin-orbit coupling (SOC), which can be used to achieve a spin-orbit qubit. In contrast to a spin qubit, the spin-orbit qubit can respond to an external ac electric field, i.e., electric-dipole spin resonance. We develop a theory that can apply in the strong SOC regime. We find that there is an optimal SOC strength ηopt = √ 2/2, where the Rabi frequency induced by the ac electric field becomes maximal. Also, we show that both the level spacing and the Rabi frequency of the spin-orbit qubit have periodic responses to the direction of the external static magnetic field. These responses can be used to determine the SOC in the nanowire. FN is partly supported by the RIKEN CEMS, iTHES Project, MURI Center for Dynamic Magneto-Optics, JSPS-RFBR Contract No. 12-02-92100, Grant-in-Aid for Scientific Research (S), MEXT Kakenhi on Quantum Cybernetics, and the JSPS via its FIRST program.

Current rectification by self-assembled molecular quantum dots from first principles

NASA Astrophysics Data System (ADS)

Larade, Brian; Bratkovsky, Alexander

2003-03-01

We present results of first-principles calculations of the current rectification by self-assembled molecular quantum dots. Molecules of that kind should be synthesized with a central conjugated (narrow band-gap) part, and two peripheral saturated (wide band-gap) barrier groups of substantially different lengths L1 and L_2. The peripheral groups must end with chemical Â"anchorÂ" groups, enabling attachment of the molecule to the electrodes. In such molecules, if they are not longer than about 2-3 nm, the electron transport is likely to proceed by resonant tunneling through molecular orbitals (MO) centered on the conjugated part of the molecule (Â"quantum dotÂ") [1,2]. Generally, either LUMO (lowest unoccupied MO) or HOMO (highest occupied MO) will be most transparent to the tunneling electrons because of their different coupling to electrodes. We have studied (i) single benzene ring C6H6 [2] and (ii) naphthalene C10H8, separated from gold electrodes by alkane chains of different lengths with the use of the non-equilibrium Green's function method and self-consistent density-functional theory. The results show significant changes in electron density and potential distribution in the vicinity of molecule-electrode contact. In the case of a naphthalene quantum dot, separated from electrodes by asymmetric alkane groups (CH2)2 and (CH2)6, the I-V curve shows current rectification on the order of ˜ 10^2. [1] A.M. Bratkovsky and P.E. Kornilovitch, Phys. Rev. B (2002), to be published. [2] P. E. Kornilovitch, A.M. Bratkovsky, and R.S. Williams, Phys. Rev. B 66, 165436 (2002).

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE PAGES

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

2015-06-26

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Self-testing through EPR-steering

NASA Astrophysics Data System (ADS)

Šupić, Ivan; Hoban, Matty J.

2016-07-01

The verification of quantum devices is an important aspect of quantum information, especially with the emergence of more advanced experimental implementations of quantum computation and secure communication. Within this, the theory of device-independent robust self-testing via Bell tests has reached a level of maturity now that many quantum states and measurements can be verified without direct access to the quantum systems: interaction with the devices is solely classical. However, the requirements for this robust level of verification are daunting and require high levels of experimental accuracy. In this paper we discuss the possibility of self-testing where we only have direct access to one part of the quantum device. This motivates the study of self-testing via EPR-steering, an intermediate form of entanglement verification between full state tomography and Bell tests. Quantum non-locality implies EPR-steering so results in the former can apply in the latter, but we ask what advantages may be gleaned from the latter over the former given that one can do partial state tomography? We show that in the case of self-testing a maximally entangled two-qubit state, or ebit, EPR-steering allows for simpler analysis and better error tolerance than in the case of full device-independence. On the other hand, this improvement is only a constant improvement and (up to constants) is the best one can hope for. Finally, we indicate that the main advantage in self-testing based on EPR-steering could be in the case of self-testing multi-partite quantum states and measurements. For example, it may be easier to establish a tensor product structure for a particular party’s Hilbert space even if we do not have access to their part of the global quantum system.

Self-assembled quantum dot structures in a hexagonal nanowire for quantum photonics.

PubMed

Yu, Ying; Dou, Xiu-Ming; Wei, Bin; Zha, Guo-Wei; Shang, Xiang-Jun; Wang, Li; Su, Dan; Xu, Jian-Xing; Wang, Hai-Yan; Ni, Hai-Qiao; Sun, Bao-Quan; Ji, Yuan; Han, Xiao-Dong; Niu, Zhi-Chuan

2014-05-01

Two types of quantum nanostructures based on self-assembled GaAs quantumdots embedded into GaAs/AlGaAs hexagonal nanowire systems are reported, opening a new avenue to the fabrication of highly efficient single-photon sources, as well as the design of novel quantum optics experiments and robust quantum optoelectronic devices operating at higher temperature, which are required for practical quantum photonics applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantum design rules for single molecule logic gates.

PubMed

Renaud, N; Hliwa, M; Joachim, C

2011-08-28

Recent publications have demonstrated how to implement a NOR logic gate with a single molecule using its interaction with two surface atoms as logical inputs [W. Soe et al., ACS Nano, 2011, 5, 1436]. We demonstrate here how this NOR logic gate belongs to the general family of quantum logic gates where the Boolean truth table results from a full control of the quantum trajectory of the electron transfer process through the molecule by very local and classical inputs practiced on the molecule. A new molecule OR gate is proposed for the logical inputs to be also single metal atoms, one per logical input.

Bose condensation of nuclei in heavy ion collisions

NASA Technical Reports Server (NTRS)

Tripathi, Ram K.; Townsend, Lawrence W.

1994-01-01

Using a fully self-consistent quantum statistical model, we demonstrate the possibility of Bose condensation of nuclei in heavy ion collisions. The most favorable conditions of high densities and low temperatures are usually associated with astrophysical processes and may be difficult to achieve in heavy ion collisions. Nonetheless, some suggestions for the possible experimental verification of the existence of this phenomenon are made.

Self-consistent performance modeling for dual band MIS UV photodetectors based on Si/SiO2 multilayer structure.

PubMed

Rostami, A; Leilaeioun, M; Golmmohamadi, S; Rasooli Saghai, H

2012-06-01

In this paper, we present a self-consistent theoretical model for a metal-insulator semiconductor (MIS) dual band ultraviolet (UV) photodetector with a modified structure implying an arbitrarily defined insulating potential barrier as its active region. Utilizing our proposed model, the dark and photocurrent density-voltage (J-V) characteristics of MIS UV photodetectors with multi-quantum wells of silicon (MQWs) are calculated. We demonstrate that dark current is reduced in the suggested structure, because the electron-tunneling probability becomes unity at energies coincident with the peak detection wavelength. This is due to the resonant tunneling and decreases at energies that are significantly smaller than this optimum value. In consequence, the number of carriers contributing to the dark current, which have a broad energy distribution at high temperatures, will decrease. It is also shown that the designed structure could detect two individual UV wavelengths, simultaneously. The width of each Si quantum well has been considered at around 1.2 nm, in order to observe these two absorption peaks in the middle and near UV regions of photon spectrum (about 365 nm, 175 nm).

Covariant effective action for a Galilean invariant quantum Hall system

NASA Astrophysics Data System (ADS)

Geracie, Michael; Prabhu, Kartik; Roberts, Matthew M.

2016-09-01

We construct effective field theories for gapped quantum Hall systems coupled to background geometries with local Galilean invariance i.e. Bargmann spacetimes. Along with an electromagnetic field, these backgrounds include the effects of curved Galilean spacetimes, including torsion and a gravitational field, allowing us to study charge, energy, stress and mass currents within a unified framework. A shift symmetry specific to single constituent theories constraints the effective action to couple to an effective background gauge field and spin connection that is solved for by a self-consistent equation, providing a manifestly covariant extension of Hoyos and Son's improvement terms to arbitrary order in m.

Improved Tribological Performance of Amorphous Carbon (a-C) Coating by ZrO2 Nanoparticles

PubMed Central

Tang, Jinzhu; Ding, Qi; Zhang, Songwei; Wu, Guizhi; Hu, Litian

2016-01-01

Nanomaterials, such as Graphene, h-BN nanoparticles and MoS2 nanotubes, have shown their ability in improving the tribological performance of amorphous carbon (a-C) coatings. In the current study, the effectiveness of ZrO2 nanoparticles (ZrO2-NPs) in lubricating the self-mated nonhydrogenated a-C contacts was investigated in boundary lubrication regime. The results showed that 13% less friction and 50% less wear compared to the base oil were achieved by employing ZrO2-NPs in the base oil in self-mated a-C contacts. Via analyzing the ZrO2-NPs and the worn a-C surface after tests, it was found that the improved lubrication by ZrO2-NPs was based on “polishing effects”, which is a new phenomenon observed between a-C and nanoparticles. Under the “polishing effect”, micro-plateaus with extremely smooth surface and uniform height were produced on the analyzed a-C surface. The resulting topography of the a-C coating is suitable for ZrO2-NPs to act as nano-bearings between rubbing surfaces. Especially, the ZrO2-NPs exhibited excellent mechanical and chemical stability, even under the severe service condition, suggesting that the combination of nonhydrogenated a-C coating with ZrO2-NPs is an effective, long lasting and environment-friendly lubrication solution. PMID:28773916

Response to "Comment on 'Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma'" [Phys. Plasmas 21, 064701 (2014)

NASA Astrophysics Data System (ADS)

Patil, S. D.; Takale, M. V.

2014-06-01

Habibi and Ghamari have presented a Comment on our paper [Phys. Plasmas 20, 072703 (2013)] by examining quantum dielectric response in thermal quantum plasma. They have modeled the relativistic self-focusing of Gaussian laser beam in cold and warm quantum plasmas and reported that self-focusing length does not change in both situations. In this response, we have reached the following important conclusions about the comment itself.

Response to “Comment on ‘Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma’” [Phys. Plasmas 21, 064701 (2014)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patil, S. D., E-mail: sdpatil-phy@rediffmail.com; Takale, M. V.

2014-06-15

Habibi and Ghamari have presented a Comment on our paper [Phys. Plasmas 20, 072703 (2013)] by examining quantum dielectric response in thermal quantum plasma. They have modeled the relativistic self-focusing of Gaussian laser beam in cold and warm quantum plasmas and reported that self-focusing length does not change in both situations. In this response, we have reached the following important conclusions about the comment itself.

Covariance in self-dual inhomogeneous models of effective quantum geometry: Spherical symmetry and Gowdy systems

NASA Astrophysics Data System (ADS)

Ben Achour, Jibril; Brahma, Suddhasattwa

2018-06-01

When applying the techniques of loop quantum gravity (LQG) to symmetry-reduced gravitational systems, one first regularizes the scalar constraint using holonomy corrections, prior to quantization. In inhomogeneous system, where a residual spatial diffeomorphism symmetry survives, such modification of the gauge generator generating time reparametrization can potentially lead to deformations or anomalies in the modified algebra of first-class constraints. When working with self-dual variables, it has already been shown that, for spherically symmetric geometry coupled to a scalar field, the holonomy-modified constraints do not generate any modifications to general covariance, as one faces in the real variables formulation, and can thus accommodate local degrees of freedom in such inhomogeneous models. In this paper, we extend this result to Gowdy cosmologies in the self-dual Ashtekar formulation. Furthermore, we show that the introduction of a μ ¯-scheme in midisuperspace models, as is required in the "improved dynamics" of LQG, is possible in the self-dual formalism while being out of reach in the current effective models using real-valued Ashtekar-Barbero variables. Our results indicate the advantages of using the self-dual variables to obtain a covariant loop regularization prior to quantization in inhomogeneous symmetry-reduced polymer models, additionally implementing the crucial μ ¯-scheme, and thus a consistent semiclassical limit.

QDENSITY—A Mathematica quantum computer simulation

NASA Astrophysics Data System (ADS)

Juliá-Díaz, Bruno; Burdis, Joseph M.; Tabakin, Frank

2009-03-01

This Mathematica 6.0 package is a simulation of a Quantum Computer. The program provides a modular, instructive approach for generating the basic elements that make up a quantum circuit. The main emphasis is on using the density matrix, although an approach using state vectors is also implemented in the package. The package commands are defined in Qdensity.m which contains the tools needed in quantum circuits, e.g., multiqubit kets, projectors, gates, etc. New version program summaryProgram title: QDENSITY 2.0 Catalogue identifier: ADXH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 26 055 No. of bytes in distributed program, including test data, etc.: 227 540 Distribution format: tar.gz Programming language: Mathematica 6.0 Operating system: Any which supports Mathematica; tested under Microsoft Windows XP, Macintosh OS X, and Linux FC4 Catalogue identifier of previous version: ADXH_v1_0 Journal reference of previous version: Comput. Phys. Comm. 174 (2006) 914 Classification: 4.15 Does the new version supersede the previous version?: Offers an alternative, more up to date, implementation Nature of problem: Analysis and design of quantum circuits, quantum algorithms and quantum clusters. Solution method: A Mathematica package is provided which contains commands to create and analyze quantum circuits. Several Mathematica notebooks containing relevant examples: Teleportation, Shor's Algorithm and Grover's search are explained in detail. A tutorial, Tutorial.nb is also enclosed. Reasons for new version: The package has been updated to make it fully compatible with Mathematica 6.0 Summary of revisions: The package has been updated to make it fully compatible with Mathematica 6.0 Running time: Most examples included in the package, e.g., the tutorial, Shor's examples, Teleportation examples and Grover's search, run in less than a minute on a Pentium 4 processor (2.6 GHz). The running time for a quantum computation depends crucially on the number of qubits employed.

Crypto-Unitary Forms of Quantum Evolution Operators

NASA Astrophysics Data System (ADS)

Znojil, Miloslav

2013-06-01

The description of quantum evolution using unitary operator {u}(t)=exp(-i{h}t) requires that the underlying self-adjoint quantum Hamiltonian {h} remains time-independent. In a way extending the so called {PT}-symmetric quantum mechanics to the models with manifestly time-dependent "charge" {C}(t) we propose and describe an extension of such an exponential-operator approach to evolution to the manifestly time-dependent self-adjoint quantum Hamiltonians {h}(t).

Charge Transfer Between Quantum Dots and Peptide-Coupled Redox Complexes

DTIC Science & Technology

2009-01-01

labeled with reactive metal complexes includ- ing a ruthenium chelate (Ru), a bis-bipyridine ruthe- nium chelate (ruthenium-bpy), and a ferrocene metal...of unconjugated QDs and the metal complex–labeled peptides immobilized on indium tin oxide (ITO) electrodes. The ruthenium and ferrocene peptide...Ag/AgCI E v s. N H E E v s. v ac uu m (e V ) Ruthenium Ferrocene Ruthenium-bpy DHLA QDs DHLA-PEG QDs Quantum dot Metal complex CB VB E0X of QDs Fe

Recent advances in the modeling of plasmas with the Particle-In-Cell methods

NASA Astrophysics Data System (ADS)

Vay, Jean-Luc; Lehe, Remi; Vincenti, Henri; Godfrey, Brendan; Lee, Patrick; Haber, Irv

2015-11-01

The Particle-In-Cell (PIC) approach is the method of choice for self-consistent simulations of plasmas from first principles. The fundamentals of the PIC method were established decades ago but improvements or variations are continuously being proposed. We report on several recent advances in PIC related algorithms, including: (a) detailed analysis of the numerical Cherenkov instability and its remediation, (b) analytic pseudo-spectral electromagnetic solvers in Cartesian and cylindrical (with azimuthal modes decomposition) geometries, (c) arbitrary-order finite-difference and generalized pseudo-spectral Maxwell solvers, (d) novel analysis of Maxwell's solvers' stencil variation and truncation, in application to domain decomposition strategies and implementation of Perfectly Matched Layers in high-order and pseudo-spectral solvers. Work supported by US-DOE Contracts DE-AC02-05CH11231 and the US-DOE SciDAC program ComPASS. Used resources of NERSC, supported by US-DOE Contract DE-AC02-05CH11231.

Measurements of the linewidth enhancement factor of mid-infrared quantum cascade lasers by different optical feedback techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jumpertz, L., E-mail: louise.jumpertz@telecom-paristech.fr; MirSense, 8 avenue de la Vauve, F-91120 Palaiseau; Michel, F.

2016-01-15

Precise knowledge of the linewidth enhancement factor of a semiconductor laser under actual operating conditions is of prime importance since this parameter dictates various phenomena such as linewidth broadening or optical nonlinearities enhancement. The above-threshold linewidth enhancement factor of a mid-infrared quantum cascade laser structure operated at 10{sup ∘}C is determined experimentally using two different methods based on optical feedback. Both Fabry-Perot and distributed feedback quantum cascade lasers based on the same active area design are studied, the former by following the wavelength shift as a function of the feedback strength and the latter by self-mixing interferometry. The results aremore » consistent and unveil a clear pump current dependence of the linewidth enhancement factor, with values ranging from 0.8 to about 3.« less

Optimization of edge state velocity in the integer quantum Hall regime

NASA Astrophysics Data System (ADS)

Sahasrabudhe, H.; Novakovic, B.; Nakamura, J.; Fallahi, S.; Povolotskyi, M.; Klimeck, G.; Rahman, R.; Manfra, M. J.

2018-02-01

Observation of interference in the quantum Hall regime may be hampered by a small edge state velocity due to finite phase coherence time. Therefore designing two quantum point contact (QPCs) interferometers having a high edge state velocity is desirable. Here we present a new simulation method for designing heterostructures with high edge state velocity by realistically modeling edge states near QPCs in the integer quantum Hall effect (IQHE) regime. Using this simulation method, we also predict the filling factor at the center of QPCs and their conductance at different gate voltages. The 3D Schrödinger equation is split into 1D and 2D parts. Quasi-1D Schrödinger and Poisson equations are solved self-consistently in the IQHE regime to obtain the potential profile, and quantum transport is used to solve for the edge state wave functions. The velocity of edge states is found to be /B , where is the expectation value of the electric field for the edge state. Anisotropically etched trench gated heterostructures with double-sided delta doping have the highest edge state velocity among the structures considered.

Quantum Dynamics in the HMF Model

NASA Astrophysics Data System (ADS)

Plestid, Ryan; O'Dell, Duncan

2017-04-01

The Hamiltonian Mean Field (HMF) model represents a paradigm in the study of long-range interactions but has never been realized in a lab. Recently Shutz and Morigi (PRL 113) have come close but ultimately fallen short. Their proposal relied on cavity-induced interactions between atoms. If a design using cold atoms is to be successful, an understanding of quantum effects is essential. I will outline the natural quantum generalization of the HMF assuming a BEC by using a generalized Gross-Pitaevskii equation (gGPE). I will show how quantum effects modify features which are well understood in the classical model. More specifically, by working in the semi-classical regime (strong interparticle interactions) we can identify the universal features predicted by catastrophe theory dressed with quantum interference effects. The stationary states of gGPE can be solved exactly and are found to be described by self-consistent Mathieu functions. Finally, I will discuss the connection between the classical description of the dynamics in terms of the Vlassov equation, and the gGPE. We would like to thank the Government of Ontario's OGS program, NSERC, and the Perimeter Institute of Theoretical Physics.

Thermodynamics and the structure of quantum theory

NASA Astrophysics Data System (ADS)

Krumm, Marius; Barnum, Howard; Barrett, Jonathan; Müller, Markus P.

2017-04-01

Despite its enormous empirical success, the formalism of quantum theory still raises fundamental questions: why is nature described in terms of complex Hilbert spaces, and what modifications of it could we reasonably expect to find in some regimes of physics? Here we address these questions by studying how compatibility with thermodynamics constrains the structure of quantum theory. We employ two postulates that any probabilistic theory with reasonable thermodynamic behaviour should arguably satisfy. In the framework of generalised probabilistic theories, we show that these postulates already imply important aspects of quantum theory, like self-duality and analogues of projective measurements, subspaces and eigenvalues. However, they may still admit a class of theories beyond quantum mechanics. Using a thought experiment by von Neumann, we show that these theories admit a consistent thermodynamic notion of entropy, and prove that the second law holds for projective measurements and mixing procedures. Furthermore, we study additional entropy-like quantities based on measurement probabilities and convex decomposition probabilities, and uncover a relation between one of these quantities and Sorkin’s notion of higher-order interference.

Self-assembly of short amyloidogenic peptides at the air-water interface.

PubMed

Chaudhary, Nitin; Nagaraj, Ramakrishnan

2011-08-01

Short peptide stretches in amyloidogenic proteins can form amyloid fibrils in vitro and have served as good models for studying amyloid fibril formation. Recently, these amyloidogenic peptides have gained considerable attention, as non-amyloid ordered structures can be obtained from these peptides by carefully tuning the conditions of self-assembly, especially pH, temperature and presence of organic solvents. We have examined the effect of surface pressure on the self-assembled structures of two amyloidogenic peptides, Pβ(2)m (Ac-DWSFYLLYYTEFT-am) and AcPHF6 (Ac-VQIVYK-am) at the air-water interface when deposited from different solvents. Both the peptides are surface-active and form Thioflavin T (ThT) positive structures at the air-water interface. There is considerable hysteresis in the compression and expansion isotherms, suggesting the occurrence of structural rearrangements during compression. Preformed Pβ(2)m fibrillar structures at the air-water interface are disrupted as peptide is compressed to lower molecular areas but restored if the film is expanded, suggesting that the process is reversible. AcPHF6, on the other hand, shows largely sheet-like structures at lower molecular areas. The solvents used for dissolution of the peptides appear to influence the nature of the aggregates formed. Our results show that like hydrostatic pressure, surface pressure can also be utilized for modulating the self-assembly of the amyloidogenic and self-assembling peptides. Copyright © 2011 Elsevier Inc. All rights reserved.

Flexible Low-power SiGe HBT Amplifier Circuits for Fast Single-shot Spin Readout

NASA Astrophysics Data System (ADS)

England, Troy; Lilly, Michael; Curry, Matthew; Carr, Stephen; Carroll, Malcolm

Fast, low-power quantum state readout is one of many challenges facing quantum information processing. Single electron transistors (SETs) are potentially fast, sensitive detectors for performing spin readout of electrons bound to Si:P donors. From a circuit perspective, however, their output impedance and nonlinear conductance are ill suited to drive the parasitic capacitance of coaxial conductors used in cryogenic environments, necessitating a cryogenic amplification stage. We will introduce two new amplifier topologies that provide excellent gain versus power tradeoffs using silicon-germanium (SiGe) heterojunction bipolar transistors (HBTs). The AC HBT allows in-situ adjustment of power dissipation during an experiment and can provide gain in the millikelvin temperature regime while dissipating less than 500 nW. The AC Current Amplifier maximizes gain at nearly 800 A/A. We will also show results of using these amplifiers with SETs at 4 K. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. Flexible Low-power SiGe HBT Amplifier Circuits for Fast Single-shot Spin Readout.

Validation and real-world assessment of the Functional Assessment of Anorexia-Cachexia Therapy (FAACT) scale in patients with advanced non-small cell lung cancer and the cancer anorexia-cachexia syndrome (CACS).

PubMed

LeBlanc, Thomas W; Samsa, Greg P; Wolf, Steven P; Locke, Susan C; Cella, David F; Abernethy, Amy P

2015-08-01

Patients with cancer anorexia-cachexia syndrome (CACS) suffer a significant symptom burden, impaired quality of life (QoL), and shorter survival. Measurement of QoL impairments related to CACS is thereby important both in clinical practice and in research. We aimed to further validate the Functional Assessment of Anorexia-Cachexia Therapy (FAACT) scale in an advanced lung cancer population. We tested the performance of the FAACT and its anorexia-cachexia subscale (ACS) within a dataset of patients with advanced non-small cell lung cancer (aNSCLC), using standard statistical methods. We then compared the performance of commonly used QoL measures stratified by CACS status and by patient self-report of appetite and weight loss. The FAACT and its ACS demonstrate internal validity consistent with acceptable published ranges for other QoL scales (Cronbach alpha = 0.9 and 0.79, respectively). Correlation coefficients demonstrate moderate correlations in the expected directions between FAACT and ACS and scales that measure related constructs. Comparing patients with and without CACS, the ACS is more sensitive to change than other QoL instruments (mean score 33.1 vs. 37.2, p = 0.011, ES = 0.58). In patients with aNSCLC, the FAACT and its ACS performed well compared with other instruments, further supporting their validity and value in clinical research. FAACT and ACS scores covaried with symptoms and other QoL changes that are typical hallmarks of CACS, lending further support to their use as QoL endpoints in clinical trials among patients with CACS.

Impact of stress relaxation in GaAsSb cladding layers on quantum dot creation in InAs/GaAsSb structures grown on GaAs (001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bremner, S. P.; Ban, K.-Y.; Faleev, N. N.

2013-09-14

We describe InAs quantum dot creation in InAs/GaAsSb barrier structures grown on GaAs (001) wafers by molecular beam epitaxy. The structures consist of 20-nm-thick GaAsSb barrier layers with Sb content of 8%, 13%, 15%, 16%, and 37% enclosing 2 monolayers of self-assembled InAs quantum dots. Transmission electron microscopy and X-ray diffraction results indicate the onset of relaxation of the GaAsSb layers at around 15% Sb content with intersected 60° dislocation semi-loops, and edge segments created within the volume of the epitaxial structures. 38% relaxation of initial elastic stress is seen for 37% Sb content, accompanied by the creation of amore » dense net of dislocations. The degradation of In surface migration by these dislocation trenches is so severe that quantum dot formation is completely suppressed. The results highlight the importance of understanding defect formation during stress relaxation for quantum dot structures particularly those with larger numbers of InAs quantum-dot layers, such as those proposed for realizing an intermediate band material.« less

Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.

PubMed

Dreuw, Andreas

2006-11-13

With the advent of modern computers and advances in the development of efficient quantum chemical computer codes, the meaningful computation of large molecular systems at a quantum mechanical level became feasible. Recent experimental effort to understand photoinitiated processes in biological systems, for instance photosynthesis or vision, at a molecular level also triggered theoretical investigations in this field. In this Minireview, standard quantum chemical methods are presented that are applicable and recently used for the calculation of excited states of photoinitiated processes in biological molecular systems. These methods comprise configuration interaction singles, the complete active space self-consistent field method, and time-dependent density functional theory and its variants. Semiempirical approaches are also covered. Their basic theoretical concepts and mathematical equations are briefly outlined, and their properties and limitations are discussed. Recent successful applications of the methods to photoinitiated processes in biological systems are described and theoretical tools for the analysis of excited states are presented.

Implementation of a quantum metamaterial using superconducting qubits.

PubMed

Macha, Pascal; Oelsner, Gregor; Reiner, Jan-Michael; Marthaler, Michael; André, Stephan; Schön, Gerd; Hübner, Uwe; Meyer, Hans-Georg; Il'ichev, Evgeni; Ustinov, Alexey V

2014-10-14

The key issue for the implementation of a metamaterial is to demonstrate the existence of collective modes corresponding to coherent oscillations of the meta-atoms. Atoms of natural materials interact with electromagnetic fields as quantum two-level systems. Artificial quantum two-level systems can be made, for example, using superconducting nonlinear resonators cooled down to their ground state. Here we perform an experiment in which 20 of these quantum meta-atoms, so-called flux qubits, are embedded into a microwave resonator. We observe the dispersive shift of the resonator frequency imposed by the qubit metamaterial and the collective resonant coupling of eight qubits. The realized prototype represents a mesoscopic limit of naturally occurring spin ensembles and as such we demonstrate the AC-Zeeman shift of a resonant qubit ensemble. The studied system constitutes the implementation of a basic quantum metamaterial in the sense that many artificial atoms are coupled collectively to the quantized mode of a photon field.

Quantum gravity as an information network self-organization of a 4D universe

NASA Astrophysics Data System (ADS)

Trugenberger, Carlo A.

2015-10-01

I propose a quantum gravity model in which the fundamental degrees of freedom are information bits for both discrete space-time points and links connecting them. The Hamiltonian is a very simple network model consisting of a ferromagnetic Ising model for space-time vertices and an antiferromagnetic Ising model for the links. As a result of the frustration between these two terms, the ground state self-organizes as a new type of low-clustering graph with finite Hausdorff dimension 4. The spectral dimension is lower than the Hausdorff dimension: it coincides with the Hausdorff dimension 4 at a first quantum phase transition corresponding to an IR fixed point, while at a second quantum phase transition describing small scales space-time dissolves into disordered information bits. The large-scale dimension 4 of the universe is related to the upper critical dimension 4 of the Ising model. At finite temperatures the universe graph emerges without a big bang and without singularities from a ferromagnetic phase transition in which space-time itself forms out of a hot soup of information bits. When the temperature is lowered the universe graph unfolds and expands by lowering its connectivity, a mechanism I have called topological expansion. The model admits topological black hole excitations corresponding to graphs containing holes with no space-time inside and with "Schwarzschild-like" horizons with a lower spectral dimension.

Quantum size and magnesium composition effects on the optical absorption in the MgxZn(1-x)O/ZnO quantum well

NASA Astrophysics Data System (ADS)

Dakhlaoui, Hassen ben Bechir; Mouna, Nefzi

2018-02-01

In this work, we investigated the effects of polarizations and structural parameters on the optical absorption coefficient (OAC) and the intersubband transition between the three lowest energy levels E1,E2 , and E3 in the MgxZn(1-x)O/ZnO single quantum well. The energy of the electron in each level and its respective wavefunction are calculated by the numerical solution of Schrödinger and Poisson equations self-consistently using an effective mass approximation. Our findings exhibit that the intersubband transitions, ΔE12 and ΔE13 , can be altered and controlled by varying the quantum well width and the magnesium composition, x. Moreover, our results suggest that the optical absorption coefficients, α12 and α13 , can be modulated principally by adjusting the quantum well width, especially the optical absorption coefficient (α12), which presents a red shift by raising the quantum well thickness. Contrary to α12 , the optical absorption coefficient, α13 , can present either a red or a blue shift by increasing the quantum well width. The process responsible for this behavior, which can be suitable for optoelectronic device applications, is discussed here in detail.

Nonequilibrium Casimir-Polder plasmonic interactions

NASA Astrophysics Data System (ADS)

Bartolo, Nicola; Messina, Riccardo; Dalvit, Diego A. R.; Intravaia, Francesco

2016-04-01

We investigate how the combination of nonequilibrium effects and material properties impacts on the Casimir-Polder interaction between an atom and a surface. By addressing systems with temperature inhomogeneities and laser interactions, we show that nonmonotonous energetic landscapes can be produced where barriers and minima appear. Our treatment provides a self-consistent quantum theoretical framework for investigating the properties of a class of nonequilibrium atom-surface interactions.

Nonequilibrium Casimir-Polder plasmonic interactions

DOE PAGES

Bartolo, Nicola; Messina, Riccardo; Dalvit, Diego Alejandro Roberto; ...

2016-04-18

Here we investigate how the combination of nonequilibrium effects and material properties impacts on the Casimir-Polder interaction between an atom and a surface. By addressing systems with temperature inhomogeneities and laser interactions, we show that nonmonotonous energetic landscapes can be produced where barriers and minima appear. Lastly, our treatment provides a self-consistent quantum theoretical framework for investigating the properties of a class of nonequilibrium atom-surface interactions.

Self Consistent Ambipolar Transport and High Frequency Oscillatory Transient in Graphene Electronics

DTIC Science & Technology

2015-08-17

study showed that in the presence of an ac field, THz oscillations exhibit soft resonances at a frequency roughly equal to half of the inverse of the ...exhibit soft resonances at a frequency roughly equal to half of the inverse of the carrier transit time to the LO phonon energy. It also showed that in...carriers in graphene undergo an anomalous parametric resonance. Such resonance occurs at about half the frequency ωF = 2πeF/~ωOP , where 2π/ωF is the time

Characterization of member of DUF1888 protein family, self-cleaving and self-assembling endopeptidase.

PubMed

Osipiuk, Jerzy; Mulligan, Rory; Bargassa, Monireh; Hamilton, John E; Cunningham, Mark A; Joachimiak, Andrzej

2012-06-01

The crystal structure of SO1698 protein from Shewanella oneidensis was determined by a SAD method and refined to 1.57 Å. The structure is a β sandwich that unexpectedly consists of two polypeptides; the N-terminal fragment includes residues 1-116, and the C-terminal one includes residues 117-125. Electron density also displayed the Lys-98 side chain covalently linked to Asp-116. The putative active site residues involved in self-cleavage were identified; point mutants were produced and characterized structurally and in a biochemical assay. Numerical simulations utilizing molecular dynamics and hybrid quantum/classical calculations suggest a mechanism involving activation of a water molecule coordinated by a catalytic aspartic acid.

Quantum control of topological defects in magnetic systems

NASA Astrophysics Data System (ADS)

Takei, So; Mohseni, Masoud

2018-02-01

Energy-efficient classical information processing and storage based on topological defects in magnetic systems have been studied over the past decade. In this work, we introduce a class of macroscopic quantum devices in which a quantum state is stored in a topological defect of a magnetic insulator. We propose noninvasive methods to coherently control and read out the quantum state using ac magnetic fields and magnetic force microscopy, respectively. This macroscopic quantum spintronic device realizes the magnetic analog of the three-level rf-SQUID qubit and is built fully out of electrical insulators with no mobile electrons, thus eliminating decoherence due to the coupling of the quantum variable to an electronic continuum and energy dissipation due to Joule heating. For a domain wall size of 10-100 nm and reasonable material parameters, we estimate qubit operating temperatures in the range of 0.1-1 K, a decoherence time of about 0.01-1 μ s , and the number of Rabi flops within the coherence time scale in the range of 102-104 .

Coined quantum walks on weighted graphs

NASA Astrophysics Data System (ADS)

Wong, Thomas G.

2017-11-01

We define a discrete-time, coined quantum walk on weighted graphs that is inspired by Szegedy’s quantum walk. Using this, we prove that many lackadaisical quantum walks, where each vertex has l integer self-loops, can be generalized to a quantum walk where each vertex has a single self-loop of real-valued weight l. We apply this real-valued lackadaisical quantum walk to two problems. First, we analyze it on the line or one-dimensional lattice, showing that it is exactly equivalent to a continuous deformation of the three-state Grover walk with faster ballistic dispersion. Second, we generalize Grover’s algorithm, or search on the complete graph, to have a weighted self-loop at each vertex, yielding an improved success probability when l < 3 + 2\\sqrt{2} ≈ 5.828 .

Microwave-driven coherent operation of a semiconductor quantum dot charge qubit

DOE PAGES

Kim, Dohun; Ward, D. R.; Simmons, C. B.; ...

2015-02-16

An intuitive realization of a qubit is an electron charge at two well-defined positions of a double quantum dot. The qubit is simple and has the potential for high-speed operation because of its strong coupling to electric fields. But, charge noise also couples strongly to this qubit, resulting in rapid dephasing at all but one special operating point called the ‘sweet spot’. In previous studies d.c. voltage pulses have been used to manipulate semiconductor charge qubits but did not achieve high-fidelity control, because d.c. gating requires excursions away from the sweet spot. Here, by using resonant a.c. microwave driving wemore » achieve fast (greater than gigahertz) and universal single qubit rotations of a semiconductor charge qubit. The Z-axis rotations of the qubit are well protected at the sweet spot, and we demonstrate the same protection for rotations about arbitrary axes in the X–Y plane of the qubit Bloch sphere. We characterize the qubit operation using two tomographic approaches: standard process tomography and gate set tomography. Moreover, both methods consistently yield process fidelities greater than 86% with respect to a universal set of unitary single-qubit operations.« less

All pure bipartite entangled states can be self-tested

PubMed Central

Coladangelo, Andrea; Goh, Koon Tong; Scarani, Valerio

2017-01-01

Quantum technologies promise advantages over their classical counterparts in the fields of computation, security and sensing. It is thus desirable that classical users are able to obtain guarantees on quantum devices, even without any knowledge of their inner workings. That such classical certification is possible at all is remarkable: it is a consequence of the violation of Bell inequalities by entangled quantum systems. Device-independent self-testing refers to the most complete such certification: it enables a classical user to uniquely identify the quantum state shared by uncharacterized devices by simply inspecting the correlations of measurement outcomes. Self-testing was first demonstrated for the singlet state and a few other examples of self-testable states were reported in recent years. Here, we address the long-standing open question of whether every pure bipartite entangled state is self-testable. We answer it affirmatively by providing explicit self-testing correlations for all such states. PMID:28548093

All pure bipartite entangled states can be self-tested

NASA Astrophysics Data System (ADS)

Coladangelo, Andrea; Goh, Koon Tong; Scarani, Valerio

2017-05-01

Quantum technologies promise advantages over their classical counterparts in the fields of computation, security and sensing. It is thus desirable that classical users are able to obtain guarantees on quantum devices, even without any knowledge of their inner workings. That such classical certification is possible at all is remarkable: it is a consequence of the violation of Bell inequalities by entangled quantum systems. Device-independent self-testing refers to the most complete such certification: it enables a classical user to uniquely identify the quantum state shared by uncharacterized devices by simply inspecting the correlations of measurement outcomes. Self-testing was first demonstrated for the singlet state and a few other examples of self-testable states were reported in recent years. Here, we address the long-standing open question of whether every pure bipartite entangled state is self-testable. We answer it affirmatively by providing explicit self-testing correlations for all such states.

All pure bipartite entangled states can be self-tested.

PubMed

Coladangelo, Andrea; Goh, Koon Tong; Scarani, Valerio

2017-05-26

Quantum technologies promise advantages over their classical counterparts in the fields of computation, security and sensing. It is thus desirable that classical users are able to obtain guarantees on quantum devices, even without any knowledge of their inner workings. That such classical certification is possible at all is remarkable: it is a consequence of the violation of Bell inequalities by entangled quantum systems. Device-independent self-testing refers to the most complete such certification: it enables a classical user to uniquely identify the quantum state shared by uncharacterized devices by simply inspecting the correlations of measurement outcomes. Self-testing was first demonstrated for the singlet state and a few other examples of self-testable states were reported in recent years. Here, we address the long-standing open question of whether every pure bipartite entangled state is self-testable. We answer it affirmatively by providing explicit self-testing correlations for all such states.

A self-consistent density based embedding scheme applied to the adsorption of CO on Pd(111)

NASA Astrophysics Data System (ADS)

Lahav, D.; Klüner, T.

2007-06-01

We derive a variant of a density based embedded cluster approach as an improvement to a recently proposed embedding theory for metallic substrates (Govind et al 1999 J. Chem. Phys. 110 7677; Klüner et al 2001 Phys. Rev. Lett. 86 5954). In this scheme, a local region in space is represented by a small cluster which is treated by accurate quantum chemical methodology. The interaction of the cluster with the infinite solid is taken into account by an effective one-electron embedding operator representing the surrounding region. We propose a self-consistent embedding scheme which resolves intrinsic problems of the former theory, in particular a violation of strict density conservation. The proposed scheme is applied to the well-known benchmark system CO/Pd(111).

Meissner mechanism for the spin supercurrent and interplay between quantum phase transition and spin transport in the frustrated Heisenberg model

NASA Astrophysics Data System (ADS)

Lima, Leonardo S.

2018-04-01

We have propose the Meissner mechanism for the spin supercurrent in quantum spin systems. Besides, we study the behavior of the AC spin conductivity in neighborhood of quantum phase transition in a frustrated spin model such as the antiferromagnet in the union jack lattice with single ion anisotropy at T = 0 . We investigate the spin conductivity for this model that presents exchange interactions J1 and J2 . Our results show a single peak for the conductivity with the height varying with the behavior of critical anisotropy Dc with J2 . We obtain the conductivity tending to zero in the limit ω → 0 .

Relationship between perception of malocclusion and the psychological impact of dental aesthetics in university students

PubMed Central

Montiel-Company, José-María; Pinho, Teresa; Almerich-Silla, José-Manuel

2015-01-01

Introduction and Objectives: The objectives were to assess the relationship between perceived smile aesthetics and perceived psychological impact as measured by the Psychosocial Impact of Dental Aesthetics Questionnaire (PIDAQ), and their own perception of it using the Aesthetic Component of the Index of Orthodontic Treatment Need (IOTN-AC) and a Visual Analog Scale (VAS); relate the IOTN-AC and VAS to the PIDAQ; and study the predictive capacity of the scales for psychological impact. Material and Methods: A cross-sectional study was conducted in 447 college students in Spain and Portugal (average age 20.4 years, 33.1% men and 66.9% women). The online self-completed surveys used the recently-validated Spanish and Portuguese versions of the PIDAQ to assess the self–reported psychological impact of the students’ dental aesthetics and IOTN-AC and an ad hoc 100 mm VAS for their perception of their dental aesthetics. Results: PIDAQ was linearly correlated with IOTN AC and VAS. Pearson’s coefficient was 0.55 for PIDAQ and IOTN-AC (CI 95% 0.48-0.61) and -0.72 for PIDAQ and VAS (CI 95% -0.66 - -0.76). VAS and IOTN-AC were predictive variables in a linear regression model of the total PIDAQ score. The VAS diagnosed individuals whose dental aesthetics had a self-perceived psychological impact (area under the curve 0.827, CI 95% 0.787-0.868) more precisely than the IOTN-AC (area under the curve 0.742, CI 95% 0. 696-0.788). Conclusions: In adults patients, there is a significant linear relationship between perceived smile aesthetics and self-perceived psychological impact. Key words:Visual Analog Scale, Index of Orthodontic Treatment Need, malocclusion, psychological, aesthetics. PMID:25810834

Central Charges and the Sign of Entanglement in 4D Conformal Field Theories.

PubMed

Perlmutter, Eric; Rangamani, Mukund; Rota, Massimiliano

2015-10-23

We explore properties of the universal terms in the entanglement entropy and logarithmic negativity in 4D conformal field theories, aiming to clarify the ways in which they behave like the analogous entanglement measures in quantum mechanics. We show that, unlike entanglement entropy in finite-dimensional systems, the sign of the universal part of entanglement entropy is indeterminate. In particular, if and only if the central charges obey a>c, the entanglement across certain classes of entangling surfaces can become arbitrarily negative, depending on the geometry and topology of the surface. The negative contribution is proportional to the product of a-c and the genus of the surface. Similarly, we show that in a>c theories, the logarithmic negativity does not always exceed the entanglement entropy.

The a.c. Josephson effect without superconductivity

PubMed Central

Gaury, Benoit; Weston, Joseph; Waintal, Xavier

2015-01-01

Superconductivity derives its most salient features from the coherence of the associated macroscopic wave function. The related physical phenomena have now moved from exotic subjects to fundamental building blocks for quantum circuits such as qubits or single photonic modes. Here we predict that the a.c. Josephson effect—which transforms a d.c. voltage Vb into an oscillating signal cos (2eVbt/ħ)—has a mesoscopic counterpart in normal conductors. We show that when a d.c. voltage Vb is applied to an electronic interferometer, there exists a universal transient regime where the current oscillates at frequency eVb/h. This effect is not limited by a superconducting gap and could, in principle, be used to produce tunable a.c. signals in the elusive 0.1–10-THz ‘terahertz gap’. PMID:25765929

On the theory of self-adjoint extensions of symmetric operators and its applications to quantum physics

NASA Astrophysics Data System (ADS)

Ibort, A.; Pérez-Pardo, J. M.

2015-04-01

This is a series of five lectures around the common subject of the construction of self-adjoint extensions of symmetric operators and its applications to Quantum Physics. We will try to offer a brief account of some recent ideas in the theory of self-adjoint extensions of symmetric operators on Hilbert spaces and their applications to a few specific problems in Quantum Mechanics.

Dephasing effects on ac-driven triple quantum dot systems

NASA Astrophysics Data System (ADS)

Maldonado, I.; Villavicencio, J.; Contreras-Pulido, L. D.; Cota, E.; Maytorena, J. A.

2018-05-01

We analyze the effect of environmental dephasing on the electrical current in an ac-driven triple quantum dot system in a symmetric Λ configuration. The current is explored by solving the time evolution equation of the density matrix as a function of the frequency and amplitude of the driving field. Two characteristic spectra are observed depending on the field amplitude. At the resonance condition, when the frequency matches the interdot energy difference, one spectrum shows a distinctive Fano-type peak, while the other, occurring at larger values of the field amplitude, exhibits a strong current suppression due to dynamic localization. In the former case we observe that the current maximum is reduced due to dephasing, while in the latter it is shown that dephasing partially alleviates the localization. In both cases, away from resonance, we observe current oscillations which are dephasing-enhanced for a wide range of frequencies. These effects are also discussed using Floquet theory, and analytical expressions for the electrical current are obtained within the rotating wave approximation.

Electrical control of a confined electron spin in a silicene quantum dot

NASA Astrophysics Data System (ADS)

Szafran, Bartłomiej; Mreńca-Kolasińska, Alina; Rzeszotarski, Bartłomiej; Żebrowski, Dariusz

2018-04-01

We study spin control for an electron confined in a flake of silicene. We find that the lowest-energy conduction-band levels are split by the diagonal intrinsic spin-orbit coupling into Kramers doublets with a definite projection of the spin on the orbital magnetic moment. We study the spin control by AC electric fields using the nondiagonal Rashba component of the spin-orbit interactions with the time-dependent atomistic tight-binding approach. The Rashba interactions in AC electric fields produce Rabi spin-flip times of the order of a nanosecond. These times can be reduced to tens of picoseconds provided that the vertical electric field is tuned to an avoided crossing opened by the Rashba spin-orbit interaction. We demonstrate that the speedup of the spin transitions is possible due to the intervalley coupling induced by the armchair edge of the flake. The study is confronted with the results for circular quantum dots decoupled from the edge with well defined angular momentum and valley index.

FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin.

PubMed

Arjunan, V; Sakiladevi, S; Marchewka, M K; Mohan, S

2013-05-15

3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. (1)H and (13)C NMR spectra have also been recorded. The complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the experimental FTIR and FT-Raman data and quantum mechanical studies. The experimental vibrational frequencies were compared with the wavenumbers obtained theoretically from the DFT-B3LYP/B3PW91 gradient calculations employing the standard 6-31G(**), high level 6-311++G(**) and cc-pVTZ basis sets for optimised geometry of the compound. The frontier molecular orbital energies of the compound are determined by DFT method. Copyright © 2013 Elsevier B.V. All rights reserved.

Auxiliary-fermion approach to critical fluctuations in the two-dimensional quantum antiferromagnetic Heisenberg model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brinckmann, Jan; Woelfle, Peter

2004-11-01

The nearest-neighbor quantum antiferromagnetic (AF) Heisenberg model for spin-1/2 on a two-dimensional square lattice is studied in the auxiliary-fermion representation. Expressing spin operators by canonical fermionic particles requires a constraint on the fermion charge Q{sub i}=1 on each lattice site i, which is imposed approximately through the thermal average. The resulting interacting fermion system is first treated in mean-field theory (MFT), which yields an AF ordered ground state and spin waves in quantitative agreement with conventional spin-wave theory. At finite temperature a self-consistent approximation beyond mean field is required in order to fulfill the Mermin-Wagner theorem. We first discuss amore » fully self-consistent approximation, where fermions are renormalized due to fluctuations of their spin density, in close analogy to FLEX. While static properties like the correlation length, {xi}(T){proportional_to}exp(aJ/T), come out correctly, the dynamical response lacks the magnon-like peaks which would reflect the appearance of short-range order at low T. This drawback, which is caused by overdamping, is overcome in a 'minimal self-consistent approximation' (MSCA), which we derive from the equations of motion. The MSCA features dynamical scaling at small energy and temperature and is qualitatively correct both in the regime of order-parameter relaxation at long wavelengths {lambda}>{xi} and in the short-range-order regime at {lambda}<{xi}. We also discuss the impact of vertex corrections and the problem of pseudo-gap formation in the single-particle density of states due to long-range fluctuations. Finally we show that the (short-range) magnetic order in MFT and MSCA helps to fulfill the constraint on the local fermion occupancy.« less

Psychosocial outcomes of Hong Kong Chinese diagnosed with acute coronary syndromes: a prospective repeated measures study.

PubMed

Chan, Dominic S K; Chau, Janita P C; Chang, Anne M

2007-08-01

Western studies have suggested that emotional stress and distress impacted on the morbidity and mortality in people following acute coronary events. Symptoms of anxiety and depression have been associated with re-infarction and death, prolonged recovery and disability and depression may precipitate the client's low self-esteem. This study examined perceived anxiety, depression and self-esteem of Hong Kong Chinese clients diagnosed with acute coronary syndrome (ACS) over a 6-month period following hospital admission. To examine: A prospective, repeated measures design with measures taken on two occasions over a 6-month period; (1) within the 1st week of hospital admission following the onset of ACS and (2) at 6 months follow up. Convenient sample of 182 voluntary consented clients admitted with ACS to a major public hospital in Hong Kong who could communicate in Chinese, complete questionnaires, cognitive intact, and were haemodynamically stable and free from acute chest pain at the time of interview. Baseline data were obtained within 1 week after hospital admission. The follow-up data was collected 6 months after hospital discharge. The Chinese version of the Hospital Anxiety and Depression Scale (HADS), State Self-esteem Scale (SSES), and Rosenberg's Self-Esteem Scale (RSES) were used to assess anxiety and depression, state self-esteem, and trait self-esteem, respectively. Findings suggested gender differences in clients' perception in anxiety, depression and self-esteem. Improvements in clients' perception of these variables were evident over the 6-month period following their acute coronary events. The study confirmed the western notion that psychosocial problems are common among coronary clients and this also applies to Hong Kong Chinese diagnosed with ACS. Further studies to explore effective interventions to address these psychosocial issues are recommended.

Imaging surface plasmon polaritons using proximal self-assembled InGaAs quantum dots

NASA Astrophysics Data System (ADS)

Bracher, Gregor; Schraml, Konrad; Blauth, Mäx; Wierzbowski, Jakob; López, Nicolás Coca; Bichler, Max; Müller, Kai; Finley, Jonathan J.; Kaniber, Michael

2014-07-01

We present optical investigations of hybrid plasmonic nanosystems consisting of lithographically defined plasmonic Au-waveguides or beamsplitters on GaAs substrates coupled to proximal self-assembled InGaAs quantum dots. We designed a sample structure that enabled us to precisely tune the distance between quantum dots and the sample surface during nano-fabrication and demonstrated that non-radiative processes do not play a major role for separations down to ˜ 10 nm. A polarized laser beam focused on one end of the plasmonic nanostructure generates propagating surface plasmon polaritons that, in turn, create electron-hole pairs in the GaAs substrate during propagation. These free carriers are subsequently captured by the quantum dots ˜ 25 nm below the surface, giving rise to luminescence. The intensity of the spectrally integrated quantum dot luminescence is used to image the propagating plasmon modes. As the waveguide width reduces from 5 μ m to 1 μ m, we clearly observe different plasmonic modes at the remote waveguide end, enabling their direct imaging in real space. This imaging technique is applied to a plasmonic beamsplitter facilitating the determination of the splitting ratio between the two beamsplitter output ports as the interaction length L i is varied. A splitting ratio of 50:50 is observed for L i ˜ 9 ± 1 μ m and 1 μ m wide waveguides for excitation energies close to the GaAs band edge. Our experimental findings are in good agreement with mode profile and finite difference time domain simulations for both waveguides and beamsplitters.

Self-Control Assessments of Capuchin Monkeys With the Rotating Tray Task and the Accumulation Task

PubMed Central

Beran, Michael J.; Perdue, Bonnie M.; Rossettie, Mattea S.; James, Brielle T.; Whitham, Will; Walker, Bradlyn; Futch, Sara E.; Parrish, Audrey E.

2016-01-01

Recent studies of delay of gratification in capuchin monkeys using a rotating tray (RT) task have shown improved self-control performance in these animals in comparison to the accumulation (AC) task. In this study, we investigated whether this improvement resulted from the difference in methods between the rotating tray task and previous tests, or whether it was the result of greater overall experience with delay of gratification tasks. Experiment 1 produced similar performance levels by capuchins monkeys in the RT and AC tasks when identical reward and temporal parameters were used. Experiment 2 demonstrated a similar result using reward amounts that were more similar to previous AC experiments with these monkeys. In Experiment 3, monkeys performed multiple versions of the AC task with varied reward and temporal parameters. Their self-control behavior was found to be dependent on the overall delay to reward consumption, rather than the overall reward amount ultimately consumed. These findings indicate that these capuchin monkeys’ self-control capacities were more likely to have improved across studies because of the greater experience they had with delay of gratification tasks. Experiment 4 and Experiment 5 tested new, task-naïve monkeys on both tasks, finding more limited evidence of self-control, and no evidence that one task was more beneficial than the other in promoting self-control. The results of this study suggest that future testing of this kind should focus on temporal parameters and reward magnitude parameters to establish accurate measures of delay of gratification capacity and development in this species and perhaps others. PMID:27298233

Covariant effective action for a Galilean invariant quantum Hall system

DOE PAGES

Geracie, Michael; Prabhu, Kartik; Roberts, Matthew M.

2016-09-16

Here, we construct effective field theories for gapped quantum Hall systems coupled to background geometries with local Galilean invariance i.e. Bargmann spacetimes. Along with an electromagnetic field, these backgrounds include the effects of curved Galilean spacetimes, including torsion and a gravitational field, allowing us to study charge, energy, stress and mass currents within a unified framework. A shift symmetry specific to single constituent theories constraints the effective action to couple to an effective background gauge field and spin connection that is solved for by a self-consistent equation, providing a manifestly covariant extension of Hoyos and Son’s improvement terms to arbitrarymore » order in m.« less

Determination of the effective refractive index spectrum of a quantum-well semiconductor laser diode from the measured modal gain spectrum

NASA Astrophysics Data System (ADS)

Wu, Linzhang; Tian, Wei; Gao, Feng

2004-09-01

This paper presents a self-consistent method to directly determine the effective refractive-index spectrum of a semiconductor quantum-well (QW) laser diode from the measured modal gain spectrum for a given current. The dispersion spectra of the optical waveguide confinement factor and the strongly carrier-density-dependent refractive index of the QW active layer of the test laser are also accurately obtained. The experimental result from a single QW GaInP/AlGaInP laser diode, which has 6 nm thick compressively strained Ga0.4InP active layer sandwiched by two 80 nm thick Al0.33GaInP, is presented.

Quantum field theory and the linguistic Minimalist Program: a remarkable isomorphism

NASA Astrophysics Data System (ADS)

Piattelli-Palmarini, M.; Vitiello, G.

2017-08-01

By resorting to recent results, we show that an isomorphism exist between linguistic features of the Minimalist Program and the quantum field theory formalism of condensed matter physics. Specific linguistic features which admit a representation in terms of the many-body algebraic formalism are the unconstrained nature of recursive Merge, the operation of the Labeling Algorithm, the difference between pronounced and un-pronounced copies of elements in a sentence and the build-up of the Fibonacci sequence in the syntactic derivation of sentence structures. The collective dynamical nature of the formation process of Logical Forms leading to the individuation of the manifold of concepts and the computational self-consistency of languages are also discussed.

Phases and Dynamics of Self-Assembled DNA Programmed Nanocubes

NASA Astrophysics Data System (ADS)

Knorowski, Christopher; Travesset, Alex

2013-03-01

Systems of Nanoparticles grafted with complementary DNA strands have been shown to self-assemble into an array of superlattices. In this talk, we extend our previous model, which successfully predicted equilibrium phases and dynamics of assembly for spherical Nanoparticles without fitting parameters, to the case of nanocubes. We show that the phase diagram consists of bcc and sc lattices, depending on DNA length. The bcc lattices are either rotator and orientational glass or cubatic. For temperatures above the DNA melting temperature, the system is equivalent to f-star polymer systems, and consist of bcc, also with rotator, orientational glass or cubatic orientational order as well as sc. We also provide a characterization of the dynamics, including the role of topological defects in crystal nucleation and growth. This work is funded by DOE through the Ames Lab under Contract DE-AC02-07CH11358. Most simulations are performed on the Exalted GPU cluster, which is funded by a grant from Iowa State University and Nvidia Corp.

Chiral fermions in asymptotically safe quantum gravity

NASA Astrophysics Data System (ADS)

Meibohm, J.; Pawlowski, J. M.

2016-05-01

We study the consistency of dynamical fermionic matter with the asymptotic safety scenario of quantum gravity using the functional renormalisation group. Since this scenario suggests strongly coupled quantum gravity in the UV, one expects gravity-induced fermion self-interactions at energies of the Planck scale. These could lead to chiral symmetry breaking at very high energies and thus to large fermion masses in the IR. The present analysis which is based on the previous works (Christiansen et al., Phys Rev D 92:121501, 2015; Meibohm et al., Phys Rev D 93:084035, 2016), concludes that gravity-induced chiral symmetry breaking at the Planck scale is avoided for a general class of NJL-type models. We find strong evidence that this feature is independent of the number of fermion fields. This finding suggests that the phase diagram for these models is topologically stable under the influence of gravitational interactions.

Quantum Dot Gate Three-State and Nonvolatile Memory Field-Effect Transistors Using a ZnS/ZnMgS/ZnS Heteroepitaxial Stack as a Tunnel Insulator on Silicon-on-Insulator Substrates

NASA Astrophysics Data System (ADS)

Suarez, Ernesto; Chan, Pik-Yiu; Lingalugari, Murali; Ayers, John E.; Heller, Evan; Jain, Faquir

2013-11-01

This paper describes the use of II-VI lattice-matched gate insulators in quantum dot gate three-state and flash nonvolatile memory structures. Using silicon-on-insulator wafers we have fabricated GeO x -cladded Ge quantum dot (QD) floating gate nonvolatile memory field-effect transistor devices using ZnS-Zn0.95Mg0.05S-ZnS tunneling layers. The II-VI heteroepitaxial stack is nearly lattice-matched and is grown using metalorganic chemical vapor deposition on a silicon channel. This stack reduces the interface state density, improving threshold voltage variation, particularly in sub-22-nm devices. Simulations using self-consistent solutions of the Poisson and Schrödinger equations show the transfer of charge to the QD layers in three-state as well as nonvolatile memory cells.

Enhanced Solar Cell Conversion Efficiency of InGaN/GaN Multiple Quantum Wells by Piezo-Phototronic Effect.

PubMed

Jiang, Chunyan; Jing, Liang; Huang, Xin; Liu, Mengmeng; Du, Chunhua; Liu, Ting; Pu, Xiong; Hu, Weiguo; Wang, Zhong Lin

2017-09-26

The piezo-phototronic effect is the tuning of piezoelectric polarization charges at the interface to largely enhance the efficiency of optoelectronic processes related to carrier separation or recombination. Here, we demonstrated the enhanced short-circuit current density and the conversion efficiency of InGaN/GaN multiple quantum well solar cells with an external stress applied on the device. The external-stress-induced piezoelectric charges generated at the interfaces of InGaN and GaN compensate the piezoelectric charges induced by lattice mismatch stress in the InGaN wells. The energy band realignment is calculated with a self-consistent numerical model to clarify the enhancement mechanism of optical-generated carriers. This research not only theoretically and experimentally proves the piezo-phototronic effect modulated the quantum photovoltaic device but also provides a great promise to maximize the use of solar energy in the current energy revolution.

Chiral fermions in asymptotically safe quantum gravity.

PubMed

Meibohm, J; Pawlowski, J M

2016-01-01

We study the consistency of dynamical fermionic matter with the asymptotic safety scenario of quantum gravity using the functional renormalisation group. Since this scenario suggests strongly coupled quantum gravity in the UV, one expects gravity-induced fermion self-interactions at energies of the Planck scale. These could lead to chiral symmetry breaking at very high energies and thus to large fermion masses in the IR. The present analysis which is based on the previous works (Christiansen et al., Phys Rev D 92:121501, 2015; Meibohm et al., Phys Rev D 93:084035, 2016), concludes that gravity-induced chiral symmetry breaking at the Planck scale is avoided for a general class of NJL-type models. We find strong evidence that this feature is independent of the number of fermion fields. This finding suggests that the phase diagram for these models is topologically stable under the influence of gravitational interactions.

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

PubMed

Smith, Daniel G A; Burns, Lori A; Sirianni, Dominic A; Nascimento, Daniel R; Kumar, Ashutosh; James, Andrew M; Schriber, Jeffrey B; Zhang, Tianyuan; Zhang, Boyi; Abbott, Adam S; Berquist, Eric J; Lechner, Marvin H; Cunha, Leonardo A; Heide, Alexander G; Waldrop, Jonathan M; Takeshita, Tyler Y; Alenaizan, Asem; Neuhauser, Daniel; King, Rollin A; Simmonett, Andrew C; Turney, Justin M; Schaefer, Henry F; Evangelista, Francesco A; DePrince, A Eugene; Crawford, T Daniel; Patkowski, Konrad; Sherrill, C David

2018-06-11

Psi4NumPy demonstrates the use of efficient computational kernels from the open-source Psi4 program through the popular NumPy library for linear algebra in Python to facilitate the rapid development of clear, understandable Python computer code for new quantum chemical methods, while maintaining a relatively low execution time. Using these tools, reference implementations have been created for a number of methods, including self-consistent field (SCF), SCF response, many-body perturbation theory, coupled-cluster theory, configuration interaction, and symmetry-adapted perturbation theory. Furthermore, several reference codes have been integrated into Jupyter notebooks, allowing background, underlying theory, and formula information to be associated with the implementation. Psi4NumPy tools and associated reference implementations can lower the barrier for future development of quantum chemistry methods. These implementations also demonstrate the power of the hybrid C++/Python programming approach employed by the Psi4 program.

Efficient steady-state solver for hierarchical quantum master equations

NASA Astrophysics Data System (ADS)

Zhang, Hou-Dao; Qiao, Qin; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

2017-07-01

Steady states play pivotal roles in many equilibrium and non-equilibrium open system studies. Their accurate evaluations call for exact theories with rigorous treatment of system-bath interactions. Therein, the hierarchical equations-of-motion (HEOM) formalism is a nonperturbative and non-Markovian quantum dissipation theory, which can faithfully describe the dissipative dynamics and nonlinear response of open systems. Nevertheless, solving the steady states of open quantum systems via HEOM is often a challenging task, due to the vast number of dynamical quantities involved. In this work, we propose a self-consistent iteration approach that quickly solves the HEOM steady states. We demonstrate its high efficiency with accurate and fast evaluations of low-temperature thermal equilibrium of a model Fenna-Matthews-Olson pigment-protein complex. Numerically exact evaluation of thermal equilibrium Rényi entropies and stationary emission line shapes is presented with detailed discussion.

The HD 163296 Circumstellar Disk in Scattered Light: Evidence of Time-Variable Self-Shadowing

NASA Technical Reports Server (NTRS)

Wisniewski, John P.; Clampin, Mark; Grady, Carol A.; Ardila, David R.; Ford, Holland C.; Golimowski, David A.; Illingworth, Garth D.; Krist, John E.

2008-01-01

We present the first multi-color view of the scattered light disk of the Herbig Ae star HD 163296, based on coronagraphic observations from the Hubble Space Telescope Advanced Camera for Surveys (ACS). Radial profile fits of the surface brightness along the disk's semi-major axis indicates that the disk is not continuously flared, and extends to approx.540 AU. The disk's color (V-I)=1.1 at a radial distance of 3.5" is redder than the observed stellar color (V-I)=0.15. This red disk color might be indicative of either an evolution in the grain size distribution (i.e. grain growth) and/or composition, both of which would be consistent with the observed non-flared geometry of the outer disk. We also identify a single ansa morphological structure in our F435W ACS data, which is absent from earlier epoch F606W and F814W ACS data, but corresponds to one of the two ansa observed in archival HST STIS coronagraphic data. Following transformation to similar band-passes, we find that the scattered light disk of HD 163296 is 1 mag arcsec(sup -2) fainter at 3.5" in the STIS data than in the ACS data. Moreover, variations are seen in (i) the visibility of the ansa(e) structures, in (ii) the relative surface brightness of the ansa(e) structures, and in (iii) the (known) intrinsic polarization of the system. These results indicate that the scattered light from the HD 163296 disk is variable. We speculate that the inner disk wall, which Sitko et al. suggests has a variable scale height as diagnosed by near-IR SED variability, induces variable self-shadowing of the outer disk. We further speculate that the observed surface brightness variability of the ansa(e) structures may indicate that the inner disk wall is azimuthally asymmetric. Subject headings: circumstellar matter - stars: individual (HD 163296) - planetary systems: formation - planetary systems: protoplanetary disks

Self-assembled indium arsenide quantum dots: Structure, formation dynamics, optical properties

NASA Astrophysics Data System (ADS)

Lee, Hao

1998-12-01

In this dissertation, we investigate the properties of InAs/GaAs quantum dots grown by molecular beam epitaxy. The structure and formation dynamics of InAs quantum dots are studied by a variety of structural characterization techniques. Correlations among the growth conditions, the structural characteristics, and the observed optical properties are explored. The most fundamental structural characteristic of the InAs quantum dots is their shape. Through detailed study of the reflection high energy electron diffraction patterns, we determined that self-assembled InAs islands possess a pyramidal shape with 136 bounding facets. Cross-sectional transmission electron microscopy images and atomic force microscopy images strongly support this model. The 136 model we proposed is the first model that is consistent with all reported shape features determined using different methods. The dynamics of coherent island formation is also studied with the goal of establishing the factors most important in determining the size, density, and the shape of self- organized InAs quantum dots. Our studies clearly demonstrate the roles that indium diffusion and desorption play in InAs island formation. An unexpected finding (from atomic force microscopy images) was that the island size distribution bifurcated during post- growth annealing. Photoluminescence spectra of the samples subjected to in-situ annealing prior to the growth of a capping layer show a distinctive double-peak feature. The power-dependence and temperature-dependence of the photoluminescence spectra reveals that the double- peak emission is associated with the ground-state transition of islands in two different size branches. These results confirm the island size bifurcation observed from atomic force microscopy images. The island size bifurcation provides a new approach to the control and manipulation of the island size distribution. Unexpected dependence of the photoluminescence line-shape on sample temperature and pump intensity was observed for samples grown at relatively high substrate temperatures. The behavior is modeled and explained in terms of competition between two overlapping transitions. The study underscores that the growth conditions can have a dramatic impact on the optical properties of the quantum dots. This dissertation includes both my previously published and unpublished authored materials.

Trichorenins A-C, Algicidal Tetracyclic Metabolites from the Marine-Alga-Epiphytic Fungus Trichoderma virens Y13-3.

PubMed

Shi, Zhen-Zhen; Miao, Feng-Ping; Fang, Sheng-Tao; Yin, Xiu-Li; Ji, Nai-Yun

2018-04-27

Three novel polyketide-like metabolites, trichorenins A-C (1-3), with a unique tetracyclic carbon skeleton were obtained from the culture of Trichoderma virens Y13-3, an epiphyte of the marine red alga Gracilaria vermiculophylla. Their structures and relative configurations were established by analysis of 1D/2D NMR and MS data, and their absolute configurations were unequivocally assigned by X-ray diffraction and ECD spectra aided by quantum chemical calculations. Compounds 1-3 exhibited potent inhibition against two marine phytoplankton species, Chattonella marina and Karlodinium veneficum.

Review of terahertz semiconductor sources

NASA Astrophysics Data System (ADS)

Wei, Feng

2012-03-01

Terahertz (THz) technology can be used in information science, biology, medicine, astronomy, and environmental science. THz sources are the key devices in THz applications. The author gives a brief review of THz semiconductor sources, such as GaAs1-xNx Gunn-like diodes, quantum wells (QWs) negative-effective-mass (NEM) THz oscillators, and the THz quantum cascade lasers (QCLs). THz current self-oscillation in doped GaAs1-xNx diodes driven by a DC electric field was investigated. The current self-oscillation is associated with the negative differential velocity effect in the highly nonparabolic conduction band of this unique material system. The current self-oscillations and spatiotemporal current patterns in QW NEM p+pp+ diodes was studied by considering scattering contributions from impurities, acoustic phonons, and optic phonons. It is indicated that both the applied bias and the doping concentration strongly influence the patterns and self-oscillating frequencies. The NEM p+pp+ diode may be used as an electrically tunable THz source. Meanwhile, by using the Monte Carlo method, the device parameters of resonant-phonon THz QCLs were optimized. The results show that the calculated gain is more sensitive to the injection barrier width, the doping concentration, and the phonon extraction level separation, which is consistent with the experiments.

A Policy Analysis of Reserve Retirement Reform

DTIC Science & Technology

2013-01-01

of the basic pay bill for the AC force, consistent with the practice of the DoD Actuary . This gives an amount, an accrual charge, sufficient to cover...accrual charges made during its AC service. This also follows the practice of the DoD Actuary . Specifically, the amount transferred from the AC...retirement reform. 16 The actuarial calculation is made for those leaving AC by AC year of service. For example, consider 100 AC service members in

Strongdeco: Expansion of analytical, strongly correlated quantum states into a many-body basis

NASA Astrophysics Data System (ADS)

Juliá-Díaz, Bruno; Graß, Tobias

2012-03-01

We provide a Mathematica code for decomposing strongly correlated quantum states described by a first-quantized, analytical wave function into many-body Fock states. Within them, the single-particle occupations refer to the subset of Fock-Darwin functions with no nodes. Such states, commonly appearing in two-dimensional systems subjected to gauge fields, were first discussed in the context of quantum Hall physics and are nowadays very relevant in the field of ultracold quantum gases. As important examples, we explicitly apply our decomposition scheme to the prominent Laughlin and Pfaffian states. This allows for easily calculating the overlap between arbitrary states with these highly correlated test states, and thus provides a useful tool to classify correlated quantum systems. Furthermore, we can directly read off the angular momentum distribution of a state from its decomposition. Finally we make use of our code to calculate the normalization factors for Laughlin's famous quasi-particle/quasi-hole excitations, from which we gain insight into the intriguing fractional behavior of these excitations. Program summaryProgram title: Strongdeco Catalogue identifier: AELA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5475 No. of bytes in distributed program, including test data, etc.: 31 071 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which Mathematica can be installed Operating system: Linux, Windows, Mac Classification: 2.9 Nature of problem: Analysis of strongly correlated quantum states. Solution method: The program makes use of the tools developed in Mathematica to deal with multivariate polynomials to decompose analytical strongly correlated states of bosons and fermions into a standard many-body basis. Operations with polynomials, determinants and permanents are the basic tools. Running time: The distributed notebook takes a couple of minutes to run.

Self-oscillations in field emission nanowire mechanical resonators: a nanometric dc-ac conversion.

PubMed

Ayari, Anthony; Vincent, Pascal; Perisanu, Sorin; Choueib, May; Gouttenoire, Vincent; Bechelany, Mikhael; Cornu, David; Purcell, Stephen T

2007-08-01

We report the observation of self-oscillations in a bottom-up nanoelectromechanical system (NEMS) during field emission driven by a constant applied voltage. An electromechanical model is explored that explains the phenomenon and that can be directly used to develop integrated devices. In this first study, we have already achieved approximately 50% dc/ac (direct to alternating current) conversion. Electrical self-oscillations in NEMS open up a new path for the development of high-speed, autonomous nanoresonators and signal generators and show that field emission (FE) is a powerful tool for building new nanocomponents.

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

PubMed

Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A; Scalmani, Giovanni; Mennucci, Benedetta

2018-03-13

Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic properties of complex chemical systems. Whereas such models typically include electrostatics and potentially polarization in so-called electrostatic and polarizable embedding approaches, respectively, nonelectrostatic dispersion and repulsion interactions are instead commonly described through classical potentials despite their quantum mechanical origin. Here we present an extension of the Tkatchenko-Scheffler semiempirical van der Waals (vdW TS ) scheme aimed at describing dispersion and repulsion interactions between quantum and classical regions within a QM/MM polarizable embedding framework. Starting from the vdW TS expression, we define a dispersion and a repulsion term, both of them density-dependent and consistently based on a Lennard-Jones-like potential. We explore transferable atom type-based parametrization strategies for the MM parameters, based on either vdW TS calculations performed on isolated fragments or on a direct estimation of the parameters from atomic polarizabilities taken from a polarizable force field. We investigate the performance of the implementation by computing self-consistent interaction energies for the S22 benchmark set, designed to represent typical noncovalent interactions in biological systems, in both equilibrium and out-of-equilibrium geometries. Overall, our results suggest that the present implementation is a promising strategy to include dispersion and repulsion in multiscale QM/MM models incorporating their explicit dependence on the electronic density.

Per-Olov Löwdin - father of quantum chemistry

NASA Astrophysics Data System (ADS)

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.

Quantum self-organization and nuclear collectivities

NASA Astrophysics Data System (ADS)

Otsuka, T.; Tsunoda, Y.; Togashi, T.; Shimizu, N.; Abe, T.

2018-02-01

The quantum self-organization is introduced as one of the major underlying mechanisms of the quantum many-body systems. In the case of atomic nuclei as an example, two types of the motion of nucleons, single-particle states and collective modes, dominate the structure of the nucleus. The outcome of the collective mode is determined basically by the balance between the effect of the mode-driving force (e.g., quadrupole force for the ellipsoidal deformation) and the resistance power against it. The single-particle energies are one of the sources to produce such resistance power: a coherent collective motion is more hindered by larger gaps between relevant single particle states. Thus, the single-particle state and the collective mode are “enemies” each other. However, the nuclear forces are demonstrated to be rich enough so as to enhance relevant collective mode by reducing the resistance power by changing singleparticle energies for each eigenstate through monopole interactions. This will be verified with the concrete example taken from Zr isotopes. Thus, when the quantum self-organization occurs, single-particle energies can be self-organized, being enhanced by (i) two quantum liquids, e.g., protons and neutrons, (ii) two major force components, e.g., quadrupole interaction (to drive collective mode) and monopole interaction (to control resistance). In other words, atomic nuclei are not necessarily like simple rigid vases containing almost free nucleons, in contrast to the naïve Fermi liquid picture. Type II shell evolution is considered to be a simple visible case involving excitations across a (sub)magic gap. The quantum self-organization becomes more important in heavier nuclei where the number of active orbits and the number of active nucleons are larger. The quantum self-organization is a general phenomenon, and is expected to be found in other quantum systems.

Photon-number statistics of twin beams: Self-consistent measurement, reconstruction, and properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peřina, Jan Jr.; Haderka, Ondřej; Michálek, Václav

2014-12-04

A method for the determination of photon-number statistics of twin beams using the joint signal-idler photocount statistics obtained by an iCCD camera is described. It also provides absolute quantum detection efficiency of the camera. Using the measured photocount statistics, quasi-distributions of integrated intensities are obtained. They attain negative values occurring in characteristic strips an a consequence of pairing of photons in twin beams.

Facets of the Fundamental Content Dimensions: Agency with Competence and Assertiveness-Communion with Warmth and Morality.

PubMed

Abele, Andrea E; Hauke, Nicole; Peters, Kim; Louvet, Eva; Szymkow, Aleksandra; Duan, Yanping

2016-01-01

Agency (A) and communion (C) are fundamental content dimensions. We propose a facet-model that differentiates A into assertiveness (AA) and competence (AC) and C into warmth (CW) and morality (CM). We tested the model in a cross-cultural study by comparing data from Asia, Australia, Europe, and the USA (overall N = 1.808). Exploratory and confirmatory factor analyses supported our model. Both the two-factor model and the four-factor model showed good fit indices across countries. Participants answered additional measures intended to demonstrate the fruitfulness of distinguishing the facets. The findings support the model's construct validity by positioning the fundamental dimensions and their facets within a network of self-construal, values, impression management, and the Big Five personality factors: In all countries, A was related to independent self-construal and to agentic values, C was related to interdependent self-construal and to communal values. Regarding the facets, AA was always related to A values, but the association of AC with A values fell below our effect size criterion in four of the five countries. A (both AA and AC) was related to agentic impression management. However, C (both CW and CM) was neither related to communal nor to agentic impression management. Regarding the Big Five personality factors, A was related to emotional stability, to extraversion, and to conscientiousness. C was related to agreeableness and to extraversion. AA was more strongly related to emotional stability and extraversion than AC. CW was more strongly related to extraversion and agreeableness than CM. We could also show that self-esteem was more related to AA than AC; and that it was related to CM, but not to CW. Our research shows that (a) the fundamental dimensions of A and C are stable across cultures; and (b) that the here proposed distinction of facets of A and C is fruitful in analyzing self-perception. The here proposed measure, the AC-IN, may be a useful tool in this research area. Applications of the facet model in social perception research are discussed.

Facets of the Fundamental Content Dimensions: Agency with Competence and Assertiveness—Communion with Warmth and Morality

PubMed Central

Abele, Andrea E.; Hauke, Nicole; Peters, Kim; Louvet, Eva; Szymkow, Aleksandra; Duan, Yanping

2016-01-01

Agency (A) and communion (C) are fundamental content dimensions. We propose a facet-model that differentiates A into assertiveness (AA) and competence (AC) and C into warmth (CW) and morality (CM). We tested the model in a cross-cultural study by comparing data from Asia, Australia, Europe, and the USA (overall N = 1.808). Exploratory and confirmatory factor analyses supported our model. Both the two-factor model and the four-factor model showed good fit indices across countries. Participants answered additional measures intended to demonstrate the fruitfulness of distinguishing the facets. The findings support the model's construct validity by positioning the fundamental dimensions and their facets within a network of self-construal, values, impression management, and the Big Five personality factors: In all countries, A was related to independent self-construal and to agentic values, C was related to interdependent self-construal and to communal values. Regarding the facets, AA was always related to A values, but the association of AC with A values fell below our effect size criterion in four of the five countries. A (both AA and AC) was related to agentic impression management. However, C (both CW and CM) was neither related to communal nor to agentic impression management. Regarding the Big Five personality factors, A was related to emotional stability, to extraversion, and to conscientiousness. C was related to agreeableness and to extraversion. AA was more strongly related to emotional stability and extraversion than AC. CW was more strongly related to extraversion and agreeableness than CM. We could also show that self-esteem was more related to AA than AC; and that it was related to CM, but not to CW. Our research shows that (a) the fundamental dimensions of A and C are stable across cultures; and (b) that the here proposed distinction of facets of A and C is fruitful in analyzing self-perception. The here proposed measure, the AC-IN, may be a useful tool in this research area. Applications of the facet model in social perception research are discussed. PMID:27920737

Self-bound droplets of a dilute magnetic quantum liquid

NASA Astrophysics Data System (ADS)

Schmitt, Matthias; Wenzel, Matthias; Böttcher, Fabian; Ferrier-Barbut, Igor; Pfau, Tilman

2016-11-01

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. It has been suggested that self-bound ensembles of ultracold atoms should exist for atom number densities that are 108 times lower than in a helium droplet, which is formed from a dense quantum liquid. However, such ensembles have been elusive up to now because they require forces other than the usual zero-range contact interaction, which is either attractive or repulsive but never both. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report the observation of such droplets in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms. These droplets are the dilute counterpart of strongly correlated self-bound systems such as atomic nuclei and helium droplets.

Self-bound droplets of a dilute magnetic quantum liquid.

PubMed

Schmitt, Matthias; Wenzel, Matthias; Böttcher, Fabian; Ferrier-Barbut, Igor; Pfau, Tilman

2016-11-10

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. It has been suggested that self-bound ensembles of ultracold atoms should exist for atom number densities that are 10 8 times lower than in a helium droplet, which is formed from a dense quantum liquid. However, such ensembles have been elusive up to now because they require forces other than the usual zero-range contact interaction, which is either attractive or repulsive but never both. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report the observation of such droplets in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms. These droplets are the dilute counterpart of strongly correlated self-bound systems such as atomic nuclei and helium droplets.

Regularized linearization for quantum nonlinear optical cavities: application to degenerate optical parametric oscillators.

PubMed

Navarrete-Benlloch, Carlos; Roldán, Eugenio; Chang, Yue; Shi, Tao

2014-10-06

Nonlinear optical cavities are crucial both in classical and quantum optics; in particular, nowadays optical parametric oscillators are one of the most versatile and tunable sources of coherent light, as well as the sources of the highest quality quantum-correlated light in the continuous variable regime. Being nonlinear systems, they can be driven through critical points in which a solution ceases to exist in favour of a new one, and it is close to these points where quantum correlations are the strongest. The simplest description of such systems consists in writing the quantum fields as the classical part plus some quantum fluctuations, linearizing then the dynamical equations with respect to the latter; however, such an approach breaks down close to critical points, where it provides unphysical predictions such as infinite photon numbers. On the other hand, techniques going beyond the simple linear description become too complicated especially regarding the evaluation of two-time correlators, which are of major importance to compute observables outside the cavity. In this article we provide a regularized linear description of nonlinear cavities, that is, a linearization procedure yielding physical results, taking the degenerate optical parametric oscillator as the guiding example. The method, which we call self-consistent linearization, is shown to be equivalent to a general Gaussian ansatz for the state of the system, and we compare its predictions with those obtained with available exact (or quasi-exact) methods. Apart from its operational value, we believe that our work is valuable also from a fundamental point of view, especially in connection to the question of how far linearized or Gaussian theories can be pushed to describe nonlinear dissipative systems which have access to non-Gaussian states.

Quantum mechanical force field for water with explicit electronic polarization.

PubMed

Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

2013-08-07

A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across biological ion channels through membranes.

First-principles Investigation of the Structure, Mobility and Optical Properties of Self-Trapped Excitons in Alkali Metal, Lanthanum and Barium Halide Scintillators

NASA Astrophysics Data System (ADS)

Bizarri, Gregory; Del Ben, Mauro; Bourret, Edith; Canning, Andrew

The performance of new and improved materials for gamma ray scintillator detectors is dependant on multiple factors such as quantum efficiency, energy transport etc. In halide scintillator materials the energy transport is often impacted by self-trapped exciton (STE) formation and mobility. We present first-principles calculations at the hybrid density functional theory level for the structure, mobility and optical properties of STEs and their associated lattice defects (VK centers) in two important families of scintillator materials, alkali metal and lanthanum halides (AX and LaX). AX and LaX have been extensively characterized by experiments and serve as benchmark systems to assess the accuracy of our theoretical procedure. We show that hydrid functionals accurately predict the different types of self-trapped excitons (on and off-center) found in AX and LX materials in agreement with EPR experiments. We then applied this approach to perform preliminary studies on classes of new scintillator materials including the barium mixed halides and compared with our new experimental results. These studies have the potential to benefit the development of improved scintillator materials tailored for specific applications. This work is supported by the U.S. Department of Energy/NNSA/DNN R&D and is carried out at Lawrence Berkeley National Laboratory under Contract No. AC02-05CH11231.

An examination of the psychometric properties of the Rosenberg Self-Esteem Scale (RSES) in Chinese acute coronary syndrome (ACS) patients.

PubMed

Martin, Colin R; Thompson, David R; Chan, Dominic S

2006-11-01

The psychometric properties of the Rosenberg Self-Esteem Scale (RSES) as a clinical research instrument for acute coronary syndrome (ACS) patients were investigated in a translated Chinese version of the instrument. A confirmatory factor analysis was conducted on the RSES to establish its psychometric properties in 128 ACS patients over two observation points (within 1 week and 6 months post-admission for ACS). Internal and test-retest reliability of the RSES-TOT (all-items) and RSES-POS sub-scale (positively valenced items) were found to be acceptable. The RSES-NEG sub-scale (negatively valenced items) lacked acceptable internal reliability. The underlying factor structure of the RSES comprised two distinct but related factors, though there was inconsistency in best model fit indices at the 1-week observation point. The use of the RSES as two sub-scales (RSES-POS and RSES-NEG) may be clinically useful in evaluating the influence of this important psychological construct on the health outcomes of patients with ACS. Directions for future research are indicated.

On the design of composite protein-quantum dot biomaterials via self-assembly.

PubMed

Majithia, Ravish; Patterson, Jan; Bondos, Sarah E; Meissner, Kenith E

2011-10-10

Incorporation of nanoparticles during the hierarchical self-assembly of protein-based materials can impart function to the resulting composite materials. Herein we demonstrate that the structure and nanoparticle distribution of composite fibers are sensitive to the method of nanoparticle addition and the physicochemical properties of both the nanoparticle and the protein. Our model system consists of a recombinant enhanced green fluorescent protein-Ultrabithorax (EGFP-Ubx) fusion protein and luminescent CdSe-ZnS core-shell quantum dots (QDs), allowing us to optically assess the distribution of both the protein and nanoparticle components within the composite material. Although QDs favorably interact with EGFP-Ubx monomers, the relatively rough surface morphology of composite fibers suggests EGFP-Ubx-QD conjugates impact self-assembly. Indeed, QDs templated onto EGFP-Ubx film post-self-assembly can be subsequently drawn into smooth composite fibers. Additionally, the QD surface charge impacts QD distribution within the composite material, indicating that surface charge plays an important role in self-assembly. QDs with either positively or negatively charged coatings significantly enhance fiber extensibility. Conversely, QDs coated with hydrophobic moieties and suspended in toluene produce composite fibers with a heterogeneous distribution of QDs and severely altered fiber morphology, indicating that toluene severely disrupts Ubx self-assembly. Understanding factors that impact the protein-nanoparticle interaction enables manipulation of the structure and mechanical properties of composite materials. Since proteins interact with nanoparticle surface coatings, these results should be applicable to other types of nanoparticles with similar chemical groups on the surface.

Giant surfactants of poly(ethylene oxide)- b-polystyrene-(molecular nanoparticle): nanoparticle-driven self-assembly with sub-10-nm nanostructures in thin films

NASA Astrophysics Data System (ADS)

Hsu, Chih-Hao; Lin, Zhiwei; Dong, Xue-Hui; Hsieh, I.-Fan; Cheng, Stephen Z. D.

2014-03-01

Giant surfactants are built upon precisely attaching shape- and volume-persistent molecular nanoparticles (MNP) to polymeric flexible tails. The unique class of self-assembling materials, giant surfactants, has been demonstrated to form self-assembled ordered nanostructures, and their self-assembly behaviors are remarkably sensitive to primary chemical structures. In this work, two sets of giant surfactants with functionalized MNP attached to diblock copolymer tails were studied in thin films. Carboxylic acid-functionalized [60]fullerene (AC60) tethered with PEO- b-PS (PEO-PS-AC60) represents an ABA' (hydrophilic-hydrophobic-hydrophilic) giant surfactant, and fluoro-functionalized polyhedral oligomeric silsesquioxane (FPOSS) tethered with PEO- b-PS (PEO-PS-FPOSS) represents an ABC (hydrophilic-hydrophobic-omniphobic) one. The dissimilar chemical natures of the MNPs result in different arrangement of MNPs in self-assembled structures, the dispersion of AC60 in PEO domain and the single domain of FPOSS. Moreover, the chemically bonded MNPs could induce the originally disordered small molecular PEO- b-PS to form ordered cylindrical and lamellar structure, as evidenced by TEM and GISAXS, leading to sub-10-nm nanostructures of copolymer in the thin film state.

Interfacial sharpness and intermixing in a Ge-SiGe multiple quantum well structure

NASA Astrophysics Data System (ADS)

Bashir, A.; Gallacher, K.; Millar, R. W.; Paul, D. J.; Ballabio, A.; Frigerio, J.; Isella, G.; Kriegner, D.; Ortolani, M.; Barthel, J.; MacLaren, I.

2018-01-01

A Ge-SiGe multiple quantum well structure created by low energy plasma enhanced chemical vapour deposition, with nominal well thickness of 5.4 nm separated by 3.6 nm SiGe spacers, is analysed quantitatively using scanning transmission electron microscopy. Both high angle annular dark field imaging and electron energy loss spectroscopy show that the interfaces are not completely sharp, suggesting that there is some intermixing of Si and Ge at each interface. Two methods are compared for the quantification of the spectroscopy datasets: a self-consistent approach that calculates binary substitutional trends without requiring experimental or computational k-factors from elsewhere and a standards-based cross sectional calculation. Whilst the cross section approach is shown to be ultimately more reliable, the self-consistent approach provides surprisingly good results. It is found that the Ge quantum wells are actually about 95% Ge and that the spacers, whilst apparently peaking at about 35% Si, contain significant interdiffused Ge at each side. This result is shown to be not just an artefact of electron beam spreading in the sample, but mostly arising from a real chemical interdiffusion resulting from the growth. Similar results are found by use of X-ray diffraction from a similar area of the sample. Putting the results together suggests a real interdiffusion with a standard deviation of about 0.87 nm, or put another way—a true width defined from 10%-90% of the compositional gradient of about 2.9 nm. This suggests an intrinsic limit on how sharp such interfaces can be grown by this method and, whilst 95% Ge quantum wells (QWs) still behave well enough to have good properties, any attempt to grow thinner QWs would require modifications to the growth procedure to reduce this interdiffusion, in order to maintain a composition of ≥95% Ge.

Self-assembly of concentric quantum double rings.

PubMed

Mano, Takaaki; Kuroda, Takashi; Sanguinetti, Stefano; Ochiai, Tetsuyuki; Tateno, Takahiro; Kim, Jongsu; Noda, Takeshi; Kawabe, Mitsuo; Sakoda, Kazuaki; Kido, Giyuu; Koguchi, Nobuyuki

2005-03-01

We demonstrate the self-assembled formation of concentric quantum double rings with high uniformity and excellent rotational symmetry using the droplet epitaxy technique. Varying the growth process conditions can control each ring's size. Photoluminescence spectra emitted from an individual quantum ring complex show peculiar quantized levels that are specified by the carriers' orbital trajectories.

Three-Dimensional Control of Self-Assembled Quantum Dot Configurations

DTIC Science & Technology

2010-06-17

Lateral Quantum Dot Molecules Around Self-Assembled Nanoholes . Appl. Phys. Lett. 2003, 82, 2892–2894. 7. Alonso-Gonzalez, P.; Martin-Sanchez, J.; Gonzalez...Y.; Alen, B.; Fuster, D.; Gonzalez, L. Formation of Lateral Low Density In(Ga)As Quantum Dot Pairs in GaAs Nanoholes . Cryst. Growth Des. 2009, 9

Systems and methods for creation of conducting networks of magnetic particles through dynamic self-assembly process

DOEpatents

Snezhko, Oleksiy [Woodridge, IL; Aronson, Igor [Darien, IL; Kwok, Wai-Kwong [Downers Grove, IL

2011-01-25

Self-assembly of magnetic microparticles in AC magnetic fields. Excitation of the system by an AC magnetic field provides a variety of patterns that can be controlled by adjusting the frequency and the amplitude of the field. At low particle densities the low-frequency magnetic excitation favors cluster phase formation, while high frequency excitation favors chains and netlike structures. For denser configurations, an abrupt transition to the network phase was obtained.

Quantum-Inspired Multidirectional Associative Memory With a Self-Convergent Iterative Learning.

PubMed

Masuyama, Naoki; Loo, Chu Kiong; Seera, Manjeevan; Kubota, Naoyuki

2018-04-01

Quantum-inspired computing is an emerging research area, which has significantly improved the capabilities of conventional algorithms. In general, quantum-inspired hopfield associative memory (QHAM) has demonstrated quantum information processing in neural structures. This has resulted in an exponential increase in storage capacity while explaining the extensive memory, and it has the potential to illustrate the dynamics of neurons in the human brain when viewed from quantum mechanics perspective although the application of QHAM is limited as an autoassociation. We introduce a quantum-inspired multidirectional associative memory (QMAM) with a one-shot learning model, and QMAM with a self-convergent iterative learning model (IQMAM) based on QHAM in this paper. The self-convergent iterative learning enables the network to progressively develop a resonance state, from inputs to outputs. The simulation experiments demonstrate the advantages of QMAM and IQMAM, especially the stability to recall reliability.

Assessment of psychosocial impact of dental aesthetics.

PubMed

Khan, Munizeh; Fida, Mubassar

2008-09-01

To assess the psychosocial impact of dental aesthetics using the 'Psychosocial Impact of Dental Aesthetics Questionnaire' (PIDAQ) and self-rated Aesthetic Component (AC) of the Index of Orthodontic Treatment Need (IOTN). Cross-sectional study. Dental Section, the Aga Khan University Hospital, Karachi, from August to September 2006. Adults with no prior orthodontic treatment were asked to complete a modified version of the 'Psychosocial Impact of Dental Aesthetics Questionnaire' (PIDAQ). A total of four variables including 'Dental Self-confidence', 'Social impact', 'Psychological impact' and 'Perceived orthodontic treatment need' were assessed by a series of statements, whereas dental aesthetics were assessed by the respondents using the IOTN Aesthetic Component (self-rated IOTN-AC). Kruskal-Walli's test was applied to determine significance. The respondents were 120 adults (70 females and 50 males; mean age 25.8 years), all four of the above-mentioned variables measuring psychosocial impact showed positive and significant correlations with the perceived severity of malocclusion as depicted by the Aesthetic Component (AC) of Index of Orthodontic Treatment Need (IOTN), with p-value of less than 0.01 for all variables. The results indicate the strong psychosocial impact of altered dental aesthetics on the emotional state of an individual. The association between self-rated IOTN-AC grading with psychosocial well-being stands established, indicating that the perceived aesthetics of malocclusion may be as significant a factor in determining treatment need as the degree of malocclusion.

Determination of absolute configuration of natural products: theoretical calculation of electronic circular dichroism as a tool

USDA-ARS?s Scientific Manuscript database

Determination of absolute configuration (AC) is one of the most challenging features in the structure elucidation of chiral natural products, especially those with complex structures. With revolutionary advancements in the area of quantum chemical calculations of chiroptical spectroscopy over the pa...

Electrostatic and Quantum Transport Simulations of Quantum Point Contacts in the Integer Quantum Hall Regime

NASA Astrophysics Data System (ADS)

Sahasrabudhe, Harshad; Fallahi, Saeed; Nakamura, James; Povolotskyi, Michael; Novakovic, Bozidar; Rahman, Rajib; Manfra, Michael; Klimeck, Gerhard

Quantum Point Contacts (QPCs) are extensively used in semiconductor devices for charge sensing, tunneling and interference experiments. Fabry-Pérot interferometers containing 2 QPCs have applications in quantum computing, in which electrons/quasi-particles undergo interference due to back-scattering from the QPCs. Such experiments have turned out to be difficult because of the complex structure of edge states near the QPC boundary. We present realistic simulations of the edge states in QPCs based on GaAs/AlGaAs heterostructures, which can be used to predict conductance and edge state velocities. Conduction band profile is obtained by solving decoupled effective mass Schrödinger and Poisson equations self-consistently on a finite element mesh of a realistic geometry. In the integer quantum Hall regime, we obtain compressible and in-compressible regions near the edges. We then use the recursive Green`s function algorithm to solve Schrödinger equation with open boundary conditions for calculating transmission and local current density in the QPCs. Impurities are treated by inserting bumps in the potential with a Gaussian distribution. We compare observables with experiments for fitting some adjustable parameters. The authors would like to thank Purdue Research Foundation and Purdue Center for Topological Materials for their support.

Calculating Potential Energy Curves with Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2014-06-01

Quantum Monte Carlo (QMC) is a computational technique that can be applied to the electronic Schrödinger equation for molecules. QMC methods such as Variational Monte Carlo (VMC) and Diffusion Monte Carlo (DMC) have demonstrated the capability of capturing large fractions of the correlation energy, thus suggesting their possible use for high-accuracy quantum chemistry calculations. QMC methods scale particularly well with respect to parallelization making them an attractive consideration in anticipation of next-generation computing architectures which will involve massive parallelization with millions of cores. Due to the statistical nature of the approach, in contrast to standard quantum chemistry methods, uncertainties (error-bars) are associated with each calculated energy. This study focuses on the cost, feasibility and practical application of calculating potential energy curves for small molecules with QMC methods. Trial wave functions were constructed with the multi-configurational self-consistent field (MCSCF) method from GAMESS-US.[1] The CASINO Monte Carlo quantum chemistry package [2] was used for all of the DMC calculations. An overview of our progress in this direction will be given. References: M. W. Schmidt et al. J. Comput. Chem. 14, 1347 (1993). R. J. Needs et al. J. Phys.: Condensed Matter 22, 023201 (2010).

Transport in semiconductor nanowire superlattices described by coupled quantum mechanical and kinetic models.

PubMed

Alvaro, M; Bonilla, L L; Carretero, M; Melnik, R V N; Prabhakar, S

2013-08-21

In this paper we develop a kinetic model for the analysis of semiconductor superlattices, accounting for quantum effects. The model consists of a Boltzmann-Poisson type system of equations with simplified Bhatnagar-Gross-Krook collisions, obtained from the general time-dependent Schrödinger-Poisson model using Wigner functions. This system for superlattice transport is supplemented by the quantum mechanical part of the model based on the Ben-Daniel-Duke form of the Schrödinger equation for a cylindrical superlattice of finite radius. The resulting energy spectrum is used to characterize the Fermi-Dirac distribution that appears in the Bhatnagar-Gross-Krook collision, thereby coupling the quantum mechanical and kinetic parts of the model. The kinetic model uses the dispersion relation obtained by the generalized Kronig-Penney method, and allows us to estimate radii of quantum wire superlattices that have the same miniband widths as in experiments. It also allows us to determine more accurately the time-dependent characteristics of superlattices, in particular their current density. Results, for several experimentally grown superlattices, are discussed in the context of self-sustained coherent oscillations of the current density which are important in an increasing range of current and potential applications.

Spatial self-organization of macroscopic quantum states of exciton-polaritons in acoustic lattices

NASA Astrophysics Data System (ADS)

Buller, J. V. T.; Cerda-Méndez, E. A.; Balderas-Navarro, R. E.; Biermann, K.; Santos, P. V.

2016-07-01

Exciton-polariton systems can sustain macroscopic quantum states (MQSs) under a periodic potential modulation. In this paper, we investigate the structure of these states in acoustic square lattices by probing their wave functions in real and momentum spaces using spectral tomography. We show that the polariton MQSs, when excited by a Gaussian laser beam, self-organize in a concentric structure, consisting of a single, two-dimensional gap-soliton (GS) state surrounded by one dimensional (1D) MQSs with lower energy. The latter form at hyperbolical points of the modulated polariton dispersion. While the size of the GS tends to saturate with increasing particle density, the emission region of the surrounding 1D states increases. The existence of these MQSs in acoustic lattices is quantitatively supported by a theoretical model based on the variational solution of the Gross-Pitaevskii equation. The formation of the 1D states in a ring around the central GS is attributed to the energy gradient in this region, which reduces the overall symmetry of the lattice. The results broaden the experimental understanding of self-localized polariton states, which may prove relevant for functionalities exploiting solitonic objects.

Seventeen-Coordinate Actinide Helium Complexes.

PubMed

Kaltsoyannis, Nikolas

2017-06-12

The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe 17 3+ , ThHe 17 4+ , and PaHe 17 4+ are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHe n 3+ (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these systems as having closed shell, charge-induced dipole bonding. Excellent correlations (R 2 >0.95) are found between QTAIM metrics (bond critical point electron densities and delocalization indices) and the average Ac-He distances, and also with the incremental He binding energies. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Examination of the nature of lattice matched III V semiconductor interfaces using computer simulated molecular beam epitaxial growth I. AC/BC interfaces

NASA Astrophysics Data System (ADS)

Thomsen, M.; Ghaisas, S. V.; Madhukar, A.

1987-07-01

A previously developed computer simulation of molecular beam epitaxial growth of III-V semiconductors based on the configuration dependent reactive incorporation (CDRI) model is extended to allow for two different cation species. Attention is focussed on examining the nature of interfaces formed in lattice matched quantum well structures of the form AC/BC/AC(100). We consider cation species with substantially different effective diffusion lengths, as is the case with Al and Ga during the growth of their respective As compounds. The degree of intermixing occuring at the interface is seen to be dependent upon, among other growth parameters, the pressure of the group V species during growth. Examination of an intraplanar order parameter at the interfaces reveals the existence of short range clustering of the cation species.

Characterization of Member of DUF1888 Protein Family, Self-cleaving and Self-assembling Endopeptidase*

PubMed Central

Osipiuk, Jerzy; Mulligan, Rory; Bargassa, Monireh; Hamilton, John E.; Cunningham, Mark A.; Joachimiak, Andrzej

2012-01-01

The crystal structure of SO1698 protein from Shewanella oneidensis was determined by a SAD method and refined to 1.57 Å. The structure is a β sandwich that unexpectedly consists of two polypeptides; the N-terminal fragment includes residues 1–116, and the C-terminal one includes residues 117–125. Electron density also displayed the Lys-98 side chain covalently linked to Asp-116. The putative active site residues involved in self-cleavage were identified; point mutants were produced and characterized structurally and in a biochemical assay. Numerical simulations utilizing molecular dynamics and hybrid quantum/classical calculations suggest a mechanism involving activation of a water molecule coordinated by a catalytic aspartic acid. PMID:22493430

Self-control assessments of capuchin monkeys with the rotating tray task and the accumulation task.

PubMed

Beran, Michael J; Perdue, Bonnie M; Rossettie, Mattea S; James, Brielle T; Whitham, Will; Walker, Bradlyn; Futch, Sara E; Parrish, Audrey E

2016-08-01

Recent studies of delay of gratification in capuchin monkeys using a rotating tray (RT) task have shown improved self-control performance in these animals in comparison to the accumulation (AC) task. In this study, we investigated whether this improvement resulted from the difference in methods between the rotating tray task and previous tests, or whether it was the result of greater overall experience with delay of gratification tasks. Experiment 1 produced similar performance levels by capuchins monkeys in the RT and AC tasks when identical reward and temporal parameters were used. Experiment 2 demonstrated a similar result using reward amounts that were more similar to previous AC experiments with these monkeys. In Experiment 3, monkeys performed multiple versions of the AC task with varied reward and temporal parameters. Their self-control behavior was found to be dependent on the overall delay to reward consumption, rather than the overall reward amount ultimately consumed. These findings indicate that these capuchin monkeys' self-control capacities were more likely to have improved across studies because of the greater experience they had with delay of gratification tasks. Experiment 4 and Experiment 5 tested new, task-naïve monkeys on both tasks, finding more limited evidence of self-control, and no evidence that one task was more beneficial than the other in promoting self-control. The results of this study suggest that future testing of this kind should focus on temporal parameters and reward magnitude parameters to establish accurate measures of delay of gratification capacity and development in this species and perhaps others. Copyright © 2016 Elsevier B.V. All rights reserved.

Design considerations for multielectron double quantum dot qubits in silicon

NASA Astrophysics Data System (ADS)

Nielsen, Erik; Barnes, Edwin; Kestner, Jason

2014-03-01

Solid state double quantum dot (DQD) spin qubits can be created by confining two electrons to a DQD potential. We present results showing the viability and potential advantages of creating a DQD spin qubit with greater than two electrons, and which suggest that silicon devices which could realize these advantages are experimentally possible. Our analysis of a six-electron DQD uses full configuration interaction methods and shows an isolated qubit space in regimes which 3D quantum device simulations indicate are accessible experimentally. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Influence of hydrostatic pressure on the built-in electric field in ZnO/ZnMgO quantum wells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teisseyre, Henryk, E-mail: teiss@ifpan.edu.pl; Institute of High Pressure, Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw; Kaminska, Agata

We used high hydrostatic pressure to perform photoluminescence measurements on polar ZnO/ZnMgO quantum well structures. Our structure oriented along the c-direction (polar direction) was grown by plasma-assisted molecular beam epitaxy on a-plane sapphire. Due to the intrinsic electric field, which exists in polar wurtzite structure at ambient pressure, we observed a red shift of the emission related to the quantum-confined Stark effect. In the high hydrostatic pressure experiment, we observed a strong decrease of the quantum well pressure coefficients with increased thickness of the quantum wells. Generally, a narrower quantum well gave a higher pressure coefficient, closer to the band-gapmore » pressure coefficient of bulk material 20 meV/GPa for ZnO, while for wider quantum wells it is much lower. We observed a pressure coefficient of 19.4 meV/GPa for a 1.5 nm quantum well, while for an 8 nm quantum well the pressure coefficient was equal to 8.9 meV/GPa only. This is explained by taking into account the pressure-induced increase of the strain in our structure. The strain was calculated taking in to account that in-plane strain is not equal (due to fact that we used a-plane sapphire as a substrate) and the potential distribution in the structure was calculated self-consistently. The pressure induced increase of the built-in electric field is the same for all thicknesses of quantum wells, but becomes more pronounced for thicker quantum wells due to the quantum confined Stark effect lowering the pressure coefficients.« less

Spintronic characteristics of self-assembled neurotransmitter acetylcholine molecular complexes enable quantum information processing in neural networks and brain

NASA Astrophysics Data System (ADS)

Tamulis, Arvydas; Majauskaite, Kristina; Kairys, Visvaldas; Zborowski, Krzysztof; Adhikari, Kapil; Krisciukaitis, Sarunas

2016-09-01

Implementation of liquid state quantum information processing based on spatially localized electronic spin in the neurotransmitter stable acetylcholine (ACh) neutral molecular radical is discussed. Using DFT quantum calculations we proved that this molecule possesses stable localized electron spin, which may represent a qubit in quantum information processing. The necessary operating conditions for ACh molecule are formulated in self-assembled dimer and more complex systems. The main quantum mechanical research result of this paper is that the neurotransmitter ACh systems, which were proposed, include the use of quantum molecular spintronics arrays to control the neurotransmission in neural networks.

Interpersonal violence, alcohol use, and acquired capability for suicide.

PubMed

Wolford-Clevenger, Caitlin; Febres, Jeniimarie; Zapor, Heather; Elmquist, JoAnna; Bliton, Chloe; Stuart, Gregory L

2015-01-01

Acquired capability for suicide (ACS), defined as pain tolerance and fearlessness about death, is theorized as necessary to enact suicide. This study examined the associations of interpersonal violence and alcohol use with ACS in 502 college students. General fearlessness/pain tolerance was positively associated with male gender and alcohol use. Fearlessness about death was positively associated with male gender and general physical violence perpetration. However, these risk factors did not explain variance in ACS beyond male gender and history of suicide attempts/nonsuicidal self-injury. These findings add to the understanding of ACS correlates.

Three examples of quantum dynamics on the half-line with smooth bouncing

NASA Astrophysics Data System (ADS)

Almeida, C. R.; Bergeron, H.; Gazeau, J.-P.; Scardua, A. C.

2018-05-01

This article is an introductory presentation of the quantization of the half-plane based on affine coherent states (ACS). The half-plane carries a natural affine symmetry, i.e. it is a homogeneous space for the 1d-affine group, and it is viewed as the phase space for the dynamics of a positive physical quantity evolving with time. Its affine symmetry is preserved due to the covariance of this type of quantization. We promote the interest of such a procedure for transforming a classical model into a quantum one, since the singularity at the origin is systematically removed, and the arbitrariness of boundary conditions for the Schrödinger operator can be easily overcome. We explain some important mathematical aspects of the method. Three elementary examples of applications are presented, the quantum breathing of a massive sphere, the quantum smooth bouncing of a charged sphere, and a smooth bouncing of "dust" sphere as a simple model of quantum Newtonian cosmology.

Gapless Andreev bound states in the quantum spin Hall insulator HgTe.

PubMed

Bocquillon, Erwann; Deacon, Russell S; Wiedenmann, Jonas; Leubner, Philipp; Klapwijk, Teunis M; Brüne, Christoph; Ishibashi, Koji; Buhmann, Hartmut; Molenkamp, Laurens W

2017-02-01

In recent years, Majorana physics has attracted considerable attention because of exotic new phenomena and its prospects for fault-tolerant topological quantum computation. To this end, one needs to engineer the interplay between superconductivity and electronic properties in a topological insulator, but experimental work remains scarce and ambiguous. Here, we report experimental evidence for topological superconductivity induced in a HgTe quantum well, a 2D topological insulator that exhibits the quantum spin Hall (QSH) effect. The a.c. Josephson effect demonstrates that the supercurrent has a 4π periodicity in the superconducting phase difference, as indicated by a doubling of the voltage step for multiple Shapiro steps. In addition, this response like that of a superconducting quantum interference device to a perpendicular magnetic field shows that the 4π-periodic supercurrent originates from states located on the edges of the junction. Both features appear strongest towards the QSH regime, and thus provide evidence for induced topological superconductivity in the QSH edge states.

Quantum entanglement in photoactive prebiotic systems.

PubMed

Tamulis, Arvydas; Grigalavicius, Mantas

2014-06-01

This paper contains the review of quantum entanglement investigations in living systems, and in the quantum mechanically modelled photoactive prebiotic kernel systems. We define our modelled self-assembled supramolecular photoactive centres, composed of one or more sensitizer molecules, precursors of fatty acids and a number of water molecules, as a photoactive prebiotic kernel systems. We propose that life first emerged in the form of such minimal photoactive prebiotic kernel systems and later in the process of evolution these photoactive prebiotic kernel systems would have produced fatty acids and covered themselves with fatty acid envelopes to become the minimal cells of the Fatty Acid World. Specifically, we model self-assembling of photoactive prebiotic systems with observed quantum entanglement phenomena. We address the idea that quantum entanglement was important in the first stages of origins of life and evolution of the biospheres because simultaneously excite two prebiotic kernels in the system by appearance of two additional quantum entangled excited states, leading to faster growth and self-replication of minimal living cells. The quantum mechanically modelled possibility of synthesizing artificial self-reproducing quantum entangled prebiotic kernel systems and minimal cells also impacts the possibility of the most probable path of emergence of protocells on the Earth or elsewhere. We also examine the quantum entangled logic gates discovered in the modelled systems composed of two prebiotic kernels. Such logic gates may have application in the destruction of cancer cells or becoming building blocks of new forms of artificial cells including magnetically active ones.

On-Chip Single-Plasmon Nanocircuit Driven by a Self-Assembled Quantum Dot.

PubMed

Wu, Xiaofei; Jiang, Ping; Razinskas, Gary; Huo, Yongheng; Zhang, Hongyi; Kamp, Martin; Rastelli, Armando; Schmidt, Oliver G; Hecht, Bert; Lindfors, Klas; Lippitz, Markus

2017-07-12

Quantum photonics holds great promise for future technologies such as secure communication, quantum computation, quantum simulation, and quantum metrology. An outstanding challenge for quantum photonics is to develop scalable miniature circuits that integrate single-photon sources, linear optical components, and detectors on a chip. Plasmonic nanocircuits will play essential roles in such developments. However, for quantum plasmonic circuits, integration of stable, bright, and narrow-band single photon sources in the structure has so far not been reported. Here we present a plasmonic nanocircuit driven by a self-assembled GaAs quantum dot. Through a planar dielectric-plasmonic hybrid waveguide, the quantum dot efficiently excites narrow-band single plasmons that are guided in a two-wire transmission line until they are converted into single photons by an optical antenna. Our work demonstrates the feasibility of fully on-chip plasmonic nanocircuits for quantum optical applications.

Selfbound quantum droplets

NASA Astrophysics Data System (ADS)

Langen, Tim; Wenzel, Matthias; Schmitt, Matthias; Boettcher, Fabian; Buehner, Carl; Ferrier-Barbut, Igor; Pfau, Tilman

2017-04-01

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report on the observation of such droplets using dysprosium atoms, with densities 108 times lower than a helium droplet, in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms.

Linear and Non-Linear Dielectric Response of Periodic Systems from Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Umari, Paolo

2006-03-01

We present a novel approach that allows to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wavefunction, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence. The polarization is sampled through forward-walking. This approach has been validated for the case of the polarizability of an isolated hydrogen atom, and then applied to a periodic system. We then calculate the linear susceptibility and second-order hyper-susceptibility of molecular-hydrogen chains whith different bond-length alternations, and assess the quality of nodal surfaces derived from density-functional theory or from Hartree-Fock. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.P. Umari, A.J. Williamson, G. Galli, and N. MarzariPhys. Rev. Lett. 95, 207602 (2005).

Generalized non-equilibrium vertex correction method in coherent medium theory for quantum transport simulation of disordered nanoelectronics

NASA Astrophysics Data System (ADS)

Yan, Jiawei; Ke, Youqi

In realistic nanoelectronics, disordered impurities/defects are inevitable and play important roles in electron transport. However, due to the lack of effective quantum transport method, the important effects of disorders remain poorly understood. Here, we report a generalized non-equilibrium vertex correction (NVC) method with coherent potential approximation to treat the disorder effects in quantum transport simulation. With this generalized NVC method, any averaged product of two single-particle Green's functions can be obtained by solving a set of simple linear equations. As a result, the averaged non-equilibrium density matrix and various important transport properties, including averaged current, disordered induced current fluctuation and the averaged shot noise, can all be efficiently computed in a unified scheme. Moreover, a generalized form of conditionally averaged non-equilibrium Green's function is derived to incorporate with density functional theory to enable first-principles simulation. We prove the non-equilibrium coherent potential equals the non-equilibrium vertex correction. Our approach provides a unified, efficient and self-consistent method for simulating non-equilibrium quantum transport through disorder nanoelectronics. Shanghaitech start-up fund.

Evolution and Control of Electronic Structures near the Interface of Complex Oxide Heterostructure SmTiO3/SrTiO3

NASA Astrophysics Data System (ADS)

Mori, Ryo; Marshall, Patrick; Isaac, Brandon; Denlinger, Jonathan; Stemmer, Susanne; Lanzara, Alessandra

The confined electron system in the quantum well of the transition metal oxide, SrTiO3, embedded in the rare earth titanate, SmTiO3, shows unique properties, such as high carrier density, fermi liquid to non-fermi liquid transition, and pseudo-gap, which can be controlled by changing the shape of the quantum well. We will present a distinct difference in the electronic structures between the different quantum well structures obtained by angle-resolved photoemission spectroscopy (ARPES) measurements, suggesting the possibility to control the orbital character and the electron correlation near the interface as well as carrier density. The work was supported by the Quantum Materials Program at LBNL, funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231.

Weak measurements and quantum weak values for NOON states

NASA Astrophysics Data System (ADS)

Rosales-Zárate, L.; Opanchuk, B.; Reid, M. D.

2018-03-01

Quantum weak values arise when the mean outcome of a weak measurement made on certain preselected and postselected quantum systems goes beyond the eigenvalue range for a quantum observable. Here, we propose how to determine quantum weak values for superpositions of states with a macroscopically or mesoscopically distinct mode number, that might be realized as two-mode Bose-Einstein condensate or photonic NOON states. Specifically, we give a model for a weak measurement of the Schwinger spin of a two-mode NOON state, for arbitrary N . The weak measurement arises from a nondestructive measurement of the two-mode occupation number difference, which for atomic NOON states might be realized via phase contrast imaging and the ac Stark effect using an optical meter prepared in a coherent state. The meter-system coupling results in an entangled cat-state. By subsequently evolving the system under the action of a nonlinear Josephson Hamiltonian, we show how postselection leads to quantum weak values, for arbitrary N . Since the weak measurement can be shown to be minimally invasive, the weak values provide a useful strategy for a Leggett-Garg test of N -scopic realism.

Field-Driven Quantum Criticality in the Spinel Magnet ZnCr2 Se4

NASA Astrophysics Data System (ADS)

Gu, C. C.; Zhao, Z. Y.; Chen, X. L.; Lee, M.; Choi, E. S.; Han, Y. Y.; Ling, L. S.; Pi, L.; Zhang, Y. H.; Chen, G.; Yang, Z. R.; Zhou, H. D.; Sun, X. F.

2018-04-01

We report detailed dc and ac magnetic susceptibilities, specific heat, and thermal conductivity measurements on the frustrated magnet ZnCr2 Se4 . At low temperatures, with an increasing magnetic field, this spinel material goes through a series of spin state transitions from the helix spin state to the spiral spin state and then to the fully polarized state. Our results indicate a direct quantum phase transition from the spiral spin state to the fully polarized state. As the system approaches the quantum criticality, we find strong quantum fluctuations of the spins with behaviors such as an unconventional T2 -dependent specific heat and temperature-independent mean free path for the thermal transport. We complete the full phase diagram of ZnCr2 Se4 under the external magnetic field and propose the possibility of frustrated quantum criticality with extended densities of critical modes to account for the unusual low-energy excitations in the vicinity of the criticality. Our results reveal that ZnCr2 Se4 is a rare example of a 3D magnet exhibiting a field-driven quantum criticality with unconventional properties.

Imaging surface plasmon polaritons using proximal self-assembled InGaAs quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bracher, Gregor; Schraml, Konrad; Blauth, Mäx

2014-07-21

We present optical investigations of hybrid plasmonic nanosystems consisting of lithographically defined plasmonic Au-waveguides or beamsplitters on GaAs substrates coupled to proximal self-assembled InGaAs quantum dots. We designed a sample structure that enabled us to precisely tune the distance between quantum dots and the sample surface during nano-fabrication and demonstrated that non-radiative processes do not play a major role for separations down to ∼10 nm. A polarized laser beam focused on one end of the plasmonic nanostructure generates propagating surface plasmon polaritons that, in turn, create electron-hole pairs in the GaAs substrate during propagation. These free carriers are subsequently captured bymore » the quantum dots ∼25 nm below the surface, giving rise to luminescence. The intensity of the spectrally integrated quantum dot luminescence is used to image the propagating plasmon modes. As the waveguide width reduces from 5 μm to 1 μm, we clearly observe different plasmonic modes at the remote waveguide end, enabling their direct imaging in real space. This imaging technique is applied to a plasmonic beamsplitter facilitating the determination of the splitting ratio between the two beamsplitter output ports as the interaction length L{sub i} is varied. A splitting ratio of 50:50 is observed for L{sub i}∼9±1 μm and 1 μm wide waveguides for excitation energies close to the GaAs band edge. Our experimental findings are in good agreement with mode profile and finite difference time domain simulations for both waveguides and beamsplitters.« less

Broadband external cavity quantum cascade laser based sensor for gasoline detection

NASA Astrophysics Data System (ADS)

Ding, Junya; He, Tianbo; Zhou, Sheng; Li, Jinsong

2018-02-01

A new type of tunable diode spectroscopy sensor based on an external cavity quantum cascade laser (ECQCL) and a quartz crystal tuning fork (QCTF) were used for quantitative analysis of volatile organic compounds. In this work, the sensor system had been tested on different gasoline sample analysis. For signal processing, the self-established interpolation algorithm and multiple linear regression algorithm model were used for quantitative analysis of major volatile organic compounds in gasoline samples. The results were very consistent with that of the standard spectra taken from the Pacific Northwest National Laboratory (PNNL) database. In future, The ECQCL sensor will be used for trace explosive, chemical warfare agent, and toxic industrial chemical detection and spectroscopic analysis, etc.

Bold-line Monte Carlo and the nonequilibrium physics of strongly correlated many-body systems

NASA Astrophysics Data System (ADS)

Cohen, Guy

2015-03-01

This talk summarizes real time bold-line diagrammatic Monte-Carlo approaches to quantum impurity models, which make significant headway against the sign problem by summing over corrections to self-consistent diagrammatic expansions rather than a bare diagrammatic series. When the bold-line method is combined with reduced dynamics techniques both local single-time properties and two time correlators such as Green functions can be computed at very long timescales, enabling studies of nonequilibrium steady state behavior of quantum impurity models and creating new solvers for nonequilibrium dynamical mean field theory. This work is supported by NSF DMR 1006282, NSF CHE-1213247, DOE ER 46932, TG-DMR120085 and TG-DMR130036, and the Yad Hanadiv-Rothschild Foundation.

[German validation of the Acute Cystitis Symptom Score].

PubMed

Alidjanov, J F; Pilatz, A; Abdufattaev, U A; Wiltink, J; Weidner, W; Naber, K G; Wagenlehner, F

2015-09-01

The Uzbek version of the Acute Cystitis Symptom Score (ACSS) was developed as a simple self-reporting questionnaire to improve diagnosis and therapy of women with acute cystitis (AC). The purpose of this work was to validate the ACSS in the German language. The ACSS consists of 18 questions in four subscales: (1) typical symptoms, (2) differential diagnosis, (3) quality of life, and (4) additional circumstances. Translation of the ACSS into German was performed according to international guidelines. For the validation process 36 German-speaking women (age: 18-90 years), with and without symptoms of AC, were included in the study. Classification of participants into two groups (patients or controls) was based on the presence or absence of typical symptoms and significant bacteriuria (≥ 10(3) CFU/ml). Statistical evaluations of reliability, validity, and predictive ability were performed. ROC curve analysis was performed to assess sensitivity and specificity of ACSS and its subscales. The Mann-Whitney's U test and t-test were used to compare the scores of the groups. Of the 36 German-speaking women (age: 40 ± 19 years), 19 were diagnosed with AC (patient group), while 17 women served as controls. Cronbach's α for the German ACSS total scale was 0.87. A threshold score of ≥ 6 points in category 1 (typical symptoms) significantly predicted AC (sensitivity 94.7%, specificity 82.4%). There were no significant differences in ACSS scores in patients and controls compared to the original Uzbek version of the ACSS. The German version of the ACSS showed a high reliability and validity. Therefore, the German version of the ACSS can be reliably used in clinical practice and research for diagnosis and therapeutic monitoring of patients suffering from AC.

77 FR 25729 - Notice of Issuance of Final Determination Concerning Certain Agilent Oscilloscopes

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-01

.... LIT. 7. AC line filter PCA that acts as the power manager; 8. Power supply; 9. Fan; 10. Bucket..., consisting of the fan, the AC Line Filter PCA, power supply, AC and DC cables, and wiring, is installed into... power cable on the front deck subassembly is connected to the AC line filter PCA on the rear deck...

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

PubMed

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-05

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins

NASA Astrophysics Data System (ADS)

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-01

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

Jeans instability with exchange effects in quantum dusty magnetoplasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jamil, M., E-mail: jamil.gcu@gmail.com; Rasheed, A.; Rozina, Ch.

2015-08-15

Jeans instability is examined in magnetized quantum dusty plasmas using the quantum hydrodynamic model. The quantum effects are considered via exchange-correlation potential, recoil effect, and Fermi degenerate pressure, in addition to thermal effects of plasma species. It is found that the electron exchange and correlation potential have significant effects over the threshold value of wave vector and Jeans instability. The presence of electron exchange and correlation effect shortens the time of dust sound that comparatively stabilizes the self gravitational collapse. The results at quantum scale are helpful in understanding the collapse of the self-gravitating dusty plasma systems.

Quantum Fluctuations and Thermodynamic Processes in the Presence of Closed Timelike Curves

NASA Astrophysics Data System (ADS)

Tanaka, Tsunefumi

1997-10-01

A closed timelike curve (CTC) is a closed loop in spacetime whose tangent vector is everywhere timelike. A spacetime which contains CTC's will allow time travel. One of these spacetimes is Grant space. It can be constructed from Minkowski space by imposing periodic boundary conditions in spatial directions and making the boundaries move toward each other. If Hawking's chronology protection conjecture is correct, there must be a physical mechanism preventing the formation of CTC's. Currently the most promising candidate for the chronology protection mechanism is the back reaction of the metric to quantum vacuum fluctuations. In this thesis the quantum fluctuations for a massive scalar field, a self-interacting field, and for a field at nonzero temperature are calculated in Grant space. The stress-energy tensor is found to remain finite everywhere in Grant space for the massive scalar field with sufficiently large field mass. Otherwise it diverges on chronology horizons like the stress-energy tensor for a massless scalar field. If CTC's exist they will have profound effects on physical processes. Causality can be protected even in the presence of CTC's if the self-consistency condition is imposed on all processes. Simple classical thermodynamic processes of a box filled with ideal gas in the presence of CTC's are studied. If a system of boxes is closed, its state does not change as it travels through a region of spacetime with CTC's. But if the system is open, the final state will depend on the interaction with the environment. The second law of thermodynamics is shown to hold for both closed and open systems. A similar problem is investigated at a statistical level for a gas consisting of multiple selves of a single particle in a spacetime with CTC's.

Mg shallow doping effects on the ac magnetic self-heating characteristics of γ-Fe2O3 superparamagnetic nanoparticles for highly efficient hyperthermia

NASA Astrophysics Data System (ADS)

Jang, Jung-tak; Bae, Seongtae

2017-10-01

The effects of Mg doping on the magnetic and AC self-heating temperature rising characteristics of γ-Fe2O3 superparamagnetic nanoparticles (SPNPs) were investigated for hyperthermia applications in biomedicine. The doping concentration of nonmagnetic Mg2+ cation was systematically controlled from 0 to 0.15 at. % in Mgx-γFe2O3 SPNPs during chemically and thermally modified one-pot thermal decomposition synthesis under bubbling O2/Ar gas mixture. It was empirically observed that the saturation magnetization (Ms) and the out-of-phase magnetic susceptibility ( χm″)of Mgx-γFe2O3 SPNPs were increased by increasing the Mg2+ cation doping concentration from 0.05 to 0.13 at. %. Correspondingly, the AC magnetically induced self-heating temperature (Tac,max) in solid state and the intrinsic loss power in water were increased up to 184 °C and 14.2 nH m2 kg-1 (Mgx-γFe2O3, x = 0.13), respectively, at the biologically and physiologically safe range of AC magnetic field (Happl × fappl = 1.2 × 109 A m-1 s-1). All the chemically and physically analyzed results confirmed that the dramatically improved AC magnetic induction heating characteristics and the magnetic properties of Mgx-γFe2O3 SPNPs (x = 0.13) are primarily due to the significantly enhanced magnetic susceptibility (particularly, χm″) and the improved AC/DC magnetic softness (lower AC/DC magnetic anisotropy) resulting from the systematically controlled nonmagnetic Mg2+ cation concentrations and distributions (occupation ratio) in the Fe vacancy sites of γ-Fe2O3 (approximately 12% vacancy), instead of typically well-known Fe3O4 (no vacancy) SPNPs. The cell viability and biocompatibility with U87 MG cell lines demonstrated that Mgx-γFe2O3 SPNPs (x = 0.13) has promising bio-feasibility for hyperthermia agent applications.

Study of strain boundary conditions and GaAs buffer sizes in InGaAs quantum dots

NASA Technical Reports Server (NTRS)

Oyafuso, F.; Klimeck, G.; Boykin, T. B.; Bowen, R. C.; Allmen, P. von

2003-01-01

NEMO 3-D has been developed for the simulation of electronic structure in self-assembled InGaAs quantum dots on GaAs substrates. Typical self-assembled quantum dots in that material system contain about 0.5 to 1 million atoms. Effects of strain by the surrounding GaAs buffer modify the electronic structure inside the quantum dot significantly and a large GaAs buffer must be included in the strain and electronic structure.

Simultaneous Quantitative Detection of Helicobacter Pylori Based on a Rapid and Sensitive Testing Platform using Quantum Dots-Labeled Immunochromatiographic Test Strips

NASA Astrophysics Data System (ADS)

Zheng, Yu; Wang, Kan; Zhang, Jingjing; Qin, Weijian; Yan, Xinyu; Shen, Guangxia; Gao, Guo; Pan, Fei; Cui, Daxiang

2016-02-01

Quantum dots-labeled urea-enzyme antibody-based rapid immunochromatographic test strips have been developed as quantitative fluorescence point-of-care tests (POCTs) to detect helicobacter pylori. Presented in this study is a new test strip reader designed to run on tablet personal computers (PCs), which is portable for outdoor detection even without an alternating current (AC) power supply. A Wi-Fi module was integrated into the reader to improve its portability. Patient information was loaded by a barcode scanner, and an application designed to run on tablet PCs was developed to handle the acquired images. A vision algorithm called Kmeans was used for picture processing. Different concentrations of various human blood samples were tested to evaluate the stability and accuracy of the fabricated device. Results demonstrate that the reader can provide an easy, rapid, simultaneous, quantitative detection for helicobacter pylori. The proposed test strip reader has a lighter weight than existing detection readers, and it can run for long durations without an AC power supply, thus verifying that it possesses advantages for outdoor detection. Given its fast detection speed and high accuracy, the proposed reader combined with quantum dots-labeled test strips is suitable for POCTs and owns great potential in applications such as screening patients with infection of helicobacter pylori, etc. in near future.

Self field electromagnetism and quantum phenomena

NASA Astrophysics Data System (ADS)

Schatten, Kenneth H.

1994-07-01

Quantum Electrodynamics (QED) has been extremely successful inits predictive capability for atomic phenomena. Thus the greatest hope for any alternative view is solely to mimic the predictive capability of quantum mechanics (QM), and perhaps its usefulness will lie in gaining a better understanding of microscopic phenomena. Many ?paradoxes? and problematic situations emerge in QED. To combat the QED problems, the field of Stochastics Electrodynamics (SE) emerged, wherein a random ?zero point radiation? is assumed to fill all of space in an attmept to explain quantum phenomena, without some of the paradoxical concerns. SE, however, has greater failings. One is that the electromagnetic field energy must be infinit eto work. We have examined a deterministic side branch of SE, ?self field? electrodynamics, which may overcome the probelms of SE. Self field electrodynamics (SFE) utilizes the chaotic nature of electromagnetic emissions, as charges lose energy near atomic dimensions, to try to understand and mimic quantum phenomena. These fields and charges can ?interact with themselves? in a non-linear fashion, and may thereby explain many quantum phenomena from a semi-classical viewpoint. Referred to as self fields, they have gone by other names in the literature: ?evanesccent radiation?, ?virtual photons?, and ?vacuum fluctuations?. Using self fields, we discuss the uncertainty principles, the Casimir effects, and the black-body radiation spectrum, diffraction and interference effects, Schrodinger's equation, Planck's constant, and the nature of the electron and how they might be understood in the present framework. No new theory could ever replace QED. The self field view (if correct) would, at best, only serve to provide some understanding of the processes by which strange quantum phenomena occur at the atomic level. We discuss possible areas where experiments might be employed to test SFE, and areas where future work may lie.

Electronic spectra and excited-state dynamics of acridine and its hydrated clusters

NASA Astrophysics Data System (ADS)

Harthcock, Colin; Zhang, Jie; Kong, Wei; Mitsui, Masaaki; Ohshima, Yasuhiro

2017-04-01

We combine results from several different experiments to investigate the photophysics of acridine (Ac) and its hydrated clusters in the gas phase. Our findings are also compared with results from condensed phase studies. Similar to measurements of Ac dissolved in hydrocarbons, the lifetime of the first electronically excited state of isolated Ac in vacuum is too short for typical resonantly enhanced multiphoton ionization (REMPI) and laser induced fluorescence (LIF) experiments, hence no signal from REMPI and LIF can be attributed to monomeric Ac. Instead, sensitized phosphorescence emission spectroscopy is more successful in revealing the electronic states of Ac. Upon clustering with water, on the other hand, the lifetimes of the excited states are substantially increased to the nanosecond scale, and with two water molecules attached to Ac, the lifetime of the hydrated cluster is essentially the same as that of Ac in aqueous solutions. Detailed REMPI and ultraviolet-ultraviolet hole-burning experiments are then performed to reveal the structural information of the hydrated clusters. Although the formation of hydrogen bonds results in energy level reversal and energy separation between the first two excited states of Ac, its effect on the internal geometry of Ac is minimal, and all clusters with 1-3 water molecules demonstrate consistent intramolecular vibrational modes. Theoretical calculations reveal just one stable structure for each cluster under supersonic molecular beam conditions. Furthermore, different from mono- and di-water clusters, tri-water clusters consist of a linear chain of three water molecules attached to Ac. Consequently, the fragmentation pattern in the REMPI spectrum of tri-water clusters seems to be dominated by water trimer elimination, since the REMPI spectrum of Ac+.W3 is largely reproduced in the Ac+ mass channel, but not in the Ac+.W1 or Ac+.W2 channel.

Influencing factors on the size uniformity of self-assembled SiGe quantum rings grown by molecular beam epitaxy.

PubMed

Cui, J; Lv, Y; Yang, X J; Fan, Y L; Zhong, Z; Jiang, Z M

2011-03-25

The size uniformity of self-assembled SiGe quantum rings, which are formed by capping SiGe quantum dots with a thin Si layer, is found to be greatly influenced by the growth temperature and the areal density of SiGe quantum dots. Higher growth temperature benefits the size uniformity of quantum dots, but results in low Ge concentration as well as asymmetric Ge distribution in the dots, which induces the subsequently formed quantum rings to be asymmetric in shape or even broken somewhere in the ridge of rings. Low growth temperature degrades the size uniformity of quantum dots, and thus that of quantum rings. A high areal density results in the expansion and coalescence of neighboring quantum dots to form a chain, rather than quantum rings. Uniform quantum rings with a size dispersion of 4.6% and an areal density of 7.8×10(8) cm(-2) are obtained at the optimized growth temperature of 640°C.

Photoassisted shot noise spectroscopy at fractional filling factor

NASA Astrophysics Data System (ADS)

Vannucci, Luca; Ronetti, Flavio; Ferraro, Dario; Rech, Jérôme; Jonckheere, Thibaut; Martin, Thierry; Sassetti, Maura

2018-03-01

We study the photoassisted shot noise generated by a periodic voltage in the fractional quantum Hall regime. Fluctuations of the current are due to the presence of a quantum point contact operating in the weak backscattering regime. We show how to reconstruct the photoassisted absorption and emission probabilities by varying independently the dc and ac contributions to the voltage drive. This is made possible by the peculiar power-law behavior of the tunneling rates in the chiral Luttinger liquid theory, which allow to approximate the typical infinite sums of the photoassisted transport formalism in a simple and particularly convenient way.

Advanced Camera for Surveys Instrument Handbook for Cycle 25 v. 16.0

NASA Astrophysics Data System (ADS)

Avila, R. J.

2017-01-01

The Advanced Camera for Surveys (ACS), a third-generation instrument, was installed in the Hubble Space Telescope during Servicing Mission 3B, on March 7, 2002. Its primary purpose was to increase HST imaging discovery efficiency by about a factor of 10, with a combination of detector area and quantum efficiency that surpasses previous instruments. ACS has three independent cameras that have provided wide-field, high resolution, and ultraviolet imaging capabilities respectively, using a broad assortment of filters designed to address a large range of scientific goals. In addition, coronagraphic, polarimetric, and grism capabilities have made the ACS a versatile and powerful instrument. The ACS Instrument Handbook, which is maintained by the ACS Team at STScI, descr ibes the instrument properties, performance, operations, and calibration. It is the basic technical reference manual for the instrument, and should be used with other documents (listed in Table 1.1) for writing Phase I proposals, detailed Phase II programs, and for data analysis. (See Figure 1.1). In May 2009, Servicing Mission 4 (SM4) successfully restored the ACS Wide Field Camera (WFC) to regular service after its failure in January 2007. Unfortunately, the ACS High Resolution Camera (HRC) was not restored to operation during SM4, so it cannot be proposed for new observations. Nevertheless, this handbook retains description of the HRC to support analysis of archived observations. The ACS Solar Blind Channel (SBC) was unaffected by the January 2007 failure of WFC and HRC. The SBC has remained in steady operation, and was not serviced during SM4. It remains available for new observations.

Single molecule magnet behaviour in robust dysprosium-biradical complexes.

PubMed

Bernot, Kevin; Pointillart, Fabrice; Rosa, Patrick; Etienne, Mael; Sessoli, Roberta; Gatteschi, Dante

2010-09-21

A Dy-biradical complex was synthesized and characterized down to very low temperature. ac magnetic measurements reveal single molecule magnet behaviour visible without any application of dc field. The transition to the quantum tunneling regime is evidenced. Photophysical and EPR measurements provide evidence of the excellent stability of these complexes in solution.

Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles.

PubMed

Sindelka, Milan; Moiseyev, Nimrod

2006-04-27

We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to a variety of specific applications, such as alignment or orientation of molecules by lasers, trapping of ultracold molecules in optical traps, molecular optics and interferometry, rovibrational spectroscopy of molecules in the presence of intense laser light, or generation of high order harmonics from molecules. Starting from the first quantum mechanical principles, we derive an appropriate molecular Hamiltonian suitable for description of the center of mass, rotational, vibrational, and electronic molecular motions driven by the field within the electric dipole approximation. Consequently, the concept of the Born-Oppenheimer separation between the electronic and the nuclear degrees of freedom in the presence of an electromagnetic field is introduced. Special cases of the dc/ac-field limits are then discussed separately. Finally, we consider a perturbative regime of a weak dc/ac field, and obtain simple analytic formulas for the associated Born-Oppenheimer translational/rotational/vibrational molecular Hamiltonian.

Jeans self gravitational instability of strongly coupled quantum plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Prerana, E-mail: preranaiitd@rediffmail.com; Chhajlani, R. K.

2014-07-15

The Jeans self-gravitational instability is studied for quantum plasma composed of weakly coupled degenerate electron fluid and non-degenerate strongly coupled ion fluid. The formulation for such system is done on the basis of two fluid theory. The dynamics of weakly coupled degenerate electron fluid is governed by inertialess momentum equation. The quantum forces associated with the quantum diffraction effects and the quantum statistical effects act on the degenerate electron fluid. The strong correlation effects of ion are embedded in generalized viscoelastic momentum equation including the viscoelasticity and shear viscosities of ion fluid. The general dispersion relation is obtained using themore » normal mode analysis technique for the two regimes of propagation, i.e., hydrodynamic and kinetic regimes. The Jeans condition of self-gravitational instability is also obtained for both regimes, in the hydrodynamic regime it is observed to be affected by the ion plasma oscillations and quantum parameter while in the kinetic regime in addition to ion plasma oscillations and quantum parameter, it is also affected by the ion velocity which is modified by the viscosity generated compressional effects. The Jeans critical wave number and corresponding critical mass are also obtained for strongly coupled quantum plasma for both regimes.« less

Tricolor White-Light-Emitting Carbon Dots with Multiple-Cores@Shell Structure for WLED Application.

PubMed

Zhang, Tianyi; Zhao, Feifei; Li, Li; Qi, Bin; Zhu, Dongxia; Lü, Jianhua; Lü, Changli

2018-06-13

The past few years have witnessed the rapid development of carbon dots (CDs) due to their outstanding optical properties and a wide range of applications. However, the design and control of CDs with long-wavelength multicolor emission are still huge challenges to be addressed for their practical use in different fields. Here, novel nitrogen-doped multiple-core@shell-structured AC-CDs with tricolor emissions of red, green, and blue were constructed via one-pot hydrothermal method from 5-amino-1,10-phenanthroline and citric acid as reactants and the growth process of AC-CDs was monitored with the reaction time in the synthetic system. The origin of different fluorescence emissions was explored using the unique coordination ability of the surface groups of AC-CDs. An obvious concentration dependence of fluorescent properties was observed for the as-prepared AC-CDs, and a highly fluorescent quantum yield (QY) of 67% for red emission at 630 nm can be obtained by adjusting concentration of AC-CDs. The pure white-light emission (0.33, 0.33; Commission Internationale de l'Elcairage coordinate) was carried out from single carbon dot with QY of 29% through regulation of the excitation and concentration of multiple-core@shell-structured AC-CDs. In addition, because of their excellent photoluminescent properties, the white-emitting AC-CDs as emitting phosphor can be easily used in the fabrication of white-light-emitting diode with good anti-photobleaching and temperature stability.

Infrared Focal Plane Arrays Based on Semiconductor Quantum Dots

DTIC Science & Technology

2002-01-01

an ensemble of self -assembled InAs/GaAs or InAs/InP quantum dots (QDs) are typically in the range of 10-30 monolayers [1]. Here, we report on InAs...photoconductive properties of QDIPs based on self organized InAs quantum dots grown on In.52Al.48As/InP(100), using the MBE technique. Dr. Gendry grew the...composed of 10 layers of self assembled InAs dots, separated by 500 Å thick InAlAs (lattice matched to the semi-insulating InP substrate) barrier

[Effect of body image in adolescent orthodontic treatment].

PubMed

Minghui, Peng; Jing, Kang; Xiao, Deng

2017-10-01

This study was designed to probe the psychological factors adolescent orthodontic patients, the role of body image and self-esteem in the whole process of orthodontic treatment and the impact on the efficacy and satisfaction of orthodontic. Five hundred and twenty-eight patients were selected in this study. The Aesthetic Component of the Index of Orthodontic Treatment Need (IOTN-AC) , Rosenberg Self-Esteem Scale (SES), Negative Physical Self-General (NPS-G) and other body analysis scale study after orthodontic lasted 18-24 months were used to investigate the role of body image in adolescent orthodontic treatment. Esthetic evaluation of patients teeth after correction had been significantly improved, patient self-evaluation difference IOTN-AC doctor evaluation, Psychosocial Impact of Dental Aesthetics Questionnaire-tooth confidence, aesthetic concerns, psychological impact and social function were significantly improved. The improvement of the dental aesthetics component (T2 when doctors evaluate IOTN-AC) was positively correlated with the evaluation of the efficacy, and was significantly negatively correlated with the negative emotions of patients at baseline. Negative body image-dental dissatisfied-cognitive component and the affective component, the overall negative body image and negative emotions can predict patient satisfaction with treatment efficacy. Orthodontic treatment not only improves the self-aesthetic evaluation of adolescent patients, but also has a positive effect on the mental health of adolescent patients.

Relativistic self-focusing of ultra-high intensity X-ray laser beams in warm quantum plasma with upward density profile

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habibi, M., E-mail: habibi.physics@gmail.com; Ghamari, F.

2014-05-15

The results of a numerical study of high-intensity X-ray laser beam interaction with warm quantum plasma (WQP) are presented. By means of an upward ramp density profile combined with quantum factors specially the Fermi velocity, we have demonstrated significant relativistic self-focusing (RSF) of a Gaussian electromagnetic beam in the WQP where the Fermi temperature term in the dielectric function is important. For this purpose, we have considered the quantum hydrodynamics model that modifies refractive index of inhomogeneous WQPs with the inclusion of quantum correction through the quantum statistical and diffraction effects in the relativistic regime. Also, to better illustration ofmore » the physical difference between warm and cold quantum plasmas and their effect on the RSF, we have derived the envelope equation governing the spot size of X-ray laser beam in Q-plasmas. In addition to the upward ramp density profile, we have found that the quantum effects would be caused much higher oscillation and better focusing of X-ray laser beam in the WQP compared to that of cold quantum case. Our computational results reveal the importance of the use of electrons density profile and Fermi speed in enhancing self-focusing of laser beam.« less

Spin supercurrent and effect of quantum phase transition in the two-dimensional XY model

NASA Astrophysics Data System (ADS)

Lima, L. S.

2018-04-01

We have verified the influence of quantum phase transition on spin transport in the spin-1 two-dimensional XY model on the square lattice, with easy plane, single ion and exchange anisotropy. We analyze the effect of the phase transition from the Néel phase to the paramagnetic phase on the AC spin conductivity. Our results show a bit influence of the quantum phase transition on the conductivity. We also obtain a conventional spin transport for ω > 0 and an ideal spin transport in the limit of DC conductivity and therefore, a superfluid spin transport for the DC current in this limit. We have made the diagrammatic expansion for the Green-function with objective to include the effect exciton-exciton scattering on the results.

Full pillar extraction at the Kathleen Mine with mobile roof supports

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grimm, E.S.

1994-12-31

The Voest Alpine Breaker Line Supports (ABLS) resemble self-propelled longwall shields. Each individual unit consists of four hydraulic legs extending from the base of the unit, pressing a solid flat canopy against the mine roof. Each support unit is capable of exerting 606 tons of force against the roof. A chain curtain on the sides and rear protects the interior of the support from falling rock. The internal scissoring lemniscate design allows for parallel movement of the canopy as it is raised or lowered. Each ABLS has 750 feet of 4 AWG trailing cable to supply 480 volts AC tomore » a permissible controller and a 40 hp explosion-proof electrical motor. The hydraulic pump and reservoir are self-contained and protected with an automatic fire suppression system.« less

Determination of anisotropic dipole moments in self-assembled quantum dots using Rabi oscillations

NASA Astrophysics Data System (ADS)

Muller, A.; Wang, Q. Q.; Bianucci, P.; Shih, C. K.; Xue, Q. K.

2004-02-01

By investigating the polarization-dependent Rabi oscillations using photoluminescence spectroscopy, we determined the respective transition dipole moments of the two excited excitonic states |Ex> and |Ey> of a single self-assembled quantum dot that are nondegenerate due to shape anisotropy. We find that the ratio of the two dipole moments is close to the physical elongation ratio of the quantum dot.

Criterion validity of a competency-based assessment center in medical education--a 4-year follow-up study.

PubMed

Rotthoff, Thomas; Ostapczuk, Martin S; Kröncke, Klaus D; Zimmerhofer, Alexander; Decking, Ulrich; Schneider, Matthias; Ritz-Timme, Stefanie

2014-01-01

Core competencies have progressively gained importance in medical education. In other contexts, especially personnel selection and development, assessment centers (ACs) are used to assess competencies, but there is only a limited number of studies on competency-based ACs in medical education. To the best of our knowledge, the present study provides the first data on the criterion-related validity of a competency-based AC in medical education. We developed an AC tailored to measure core competencies relevant to medical education (social-ethical, communicative, self, and teaching) and tested its validity in n=30 first-year medical students using 3- to 4-year follow-up measures such as (a) objective structured clinical examinations (OSCE) on basic clinical skills (n=26), (b) OSCE on communication skills (n=21), and (c) peer feedback (n=18). The AC contained three elements: interview, group discussion, and role play. Additionally, a self-report questionnaire was provided as a basis for the interview. Baseline AC average score and teaching competency correlated moderately with the communication OSCE average score (r=0.41, p=0.03, and r=0.38, p=0.04, respectively). Social-ethical competency in the AC showed a very strong convergent association with the communication OSCE average score (r=0.60, p<0.01). The AC total score also showed a moderate correlation with the overall peer feedback score provided in Year 4 (r=0.38, p=0.06). In addition, communicative competency correlated strongly with the overall peer feedback (r=0.50, p=0.02). We found predominantly low and insignificant correlations between the AC and the OSCE on basic clinical skills (r=-0.33 to 0.30, all p's>0.05). The results showed that competency-based ACs can be used at a very early stage of medical training to successfully predict future performance in core competencies.

Criterion validity of a competency-based assessment center in medical education - a 4-year follow-up study.

PubMed

Rotthoff, Thomas; Ostapczuk, Martin S; Kröncke, Klaus D; Zimmerhofer, Alexander; Decking, Ulrich; Schneider, Matthias; Ritz-Timme, Stefanie

2014-01-01

Introduction Core competencies have progressively gained importance in medical education. In other contexts, especially personnel selection and development, assessment centers (ACs) are used to assess competencies, but there is only a limited number of studies on competency-based ACs in medical education. To the best of our knowledge, the present study provides the first data on the criterion-related validity of a competency-based AC in medical education. Methods We developed an AC tailored to measure core competencies relevant to medical education (social-ethical, communicative, self, and teaching) and tested its validity in n=30 first-year medical students using 3- to 4-year follow-up measures such as (a) objective structured clinical examinations (OSCE) on basic clinical skills (n=26), (b) OSCE on communication skills (n=21), and (c) peer feedback (n=18). The AC contained three elements: interview, group discussion, and role play. Additionally, a self-report questionnaire was provided as a basis for the interview. Results Baseline AC average score and teaching competency correlated moderately with the communication OSCE average score (r=0.41, p=0.03, and r=0.38, p=0.04, respectively). Social-ethical competency in the AC showed a very strong convergent association with the communication OSCE average score (r=0.60, p<0.01). The AC total score also showed a moderate correlation with the overall peer feedback score provided in Year 4 (r=0.38, p=0.06). In addition, communicative competency correlated strongly with the overall peer feedback (r=0.50, p=0.02). We found predominantly low and insignificant correlations between the AC and the OSCE on basic clinical skills (r=-0.33 to 0.30, all p's>0.05). Conclusion The results showed that competency-based ACs can be used at a very early stage of medical training to successfully predict future performance in core competencies.

Nilpotent Quantum Mechanics: Analogues and Applications

NASA Astrophysics Data System (ADS)

Marcer, Peter; Rowlands, Peter

2017-07-01

The most significant characteristic of nilpotent quantum mechanics is that the quantum system (fermion state) and its environment (vacuum) are, in mathematical terms, mirror images of each other. So a change in one automatically leads to corresponding changes in the other. We have used this characteristic as a model for self-organization, which has applications well beyond quantum physics. The nilpotent structure has also been identified as being constructed from two commutative vector spaces. This construction has a number of identifiable characteristics which we can expect to find in systems where self-organization is dominant, and a case presented after the publication of a paper by us on ‘The ‘Logic’ of Self-Organizing Systems’,1 in the organization of the neurons in the visual cortex. We expect to find many more complex systems where our general principles, based, by analogy, on nilpotent quantum mechanics, will apply.

Influence of light absorption on relativistic self-focusing of Gaussian laser beam in cold quantum plasma

NASA Astrophysics Data System (ADS)

Patil, S. D.; Valkunde, A. T.; Vhanmore, B. D.; Urunkar, T. U.; Gavade, K. M.; Takale, M. V.

2018-05-01

When inter particle distance is comparable to the de Broglies wavelength of charged particles, quantum effects in plasmas are unavoidable. We have exploited an influence of light absorption on self-focusing of Gaussian laser beam in cold quantum plasma by considering relativistic nonlinearity. Nonlinear differential equation governing beam-width parameter has been established by using parabolic equation approach under paraxial and WKB approximations. The effect of light absorption on variation of beam-width parameter with dimensionless distance of propagation is presented graphically and discussed. It is found that light absorption plays vital role in weakening the relativistic self-focusing of laser beam during propagation in cold quantum plasma and gives reasonably interesting results.

Self-consistent continuum solvation for optical absorption of complex molecular systems in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timrov, Iurii; Biancardi, Alessandro; Andreussi, Oliviero

2015-01-21

We introduce a new method to compute the optical absorption spectra of complex molecular systems in solution, based on the Liouville approach to time-dependent density-functional perturbation theory and the revised self-consistent continuum solvation model. The former allows one to obtain the absorption spectrum over a whole wide frequency range, using a recently proposed Lanczos-based technique, or selected excitation energies, using the Casida equation, without having to ever compute any unoccupied molecular orbitals. The latter is conceptually similar to the polarizable continuum model and offers the further advantages of allowing an easy computation of atomic forces via the Hellmann-Feynman theorem andmore » a ready implementation in periodic-boundary conditions. The new method has been implemented using pseudopotentials and plane-wave basis sets, benchmarked against polarizable continuum model calculations on 4-aminophthalimide, alizarin, and cyanin and made available through the QUANTUM ESPRESSO distribution of open-source codes.« less

Effects of Dzyaloshinsky-Moriya interaction on magnetism in nanodisks from a self-consistent approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2016-01-01

We give a theoretical study on the magnetic properties of monolayer nanodisks with both Heisenberg exchange and Dzyaloshinsky-Moriya (DM) interactions. In particular, we survey the magnetic effects caused by anisotropy, external magnetic field, and disk size when DM interaction is present by means of a new quantum simulation method facilitated by a self-consistent algorithm based on mean field theory. This computational approach finds that uniaxial anisotropy and transversal magnetic field enhance the net magnetization as well as increase the transition temperature of the vortical phase while preserving the chiralities of the swirly magnetic structures, whereas when the strength of DM interaction is sufficiently strong for a given disk size, magnetic domains appear within the circularly bounded region, which vanish and give in to a single vortex when a transversal magnetic field is applied. The latter confirms the magnetic skyrmions induced by the magnetic field as observed in the experiments.

Loop quantum cosmology with self-dual variables

NASA Astrophysics Data System (ADS)

Wilson-Ewing, Edward

2015-12-01

Using the complex-valued self-dual connection variables, the loop quantum cosmology of a closed Friedmann space-time coupled to a massless scalar field is studied. It is shown how the reality conditions can be imposed in the quantum theory by choosing a particular inner product for the kinematical Hilbert space. While holonomies of the self-dual Ashtekar connection are not well defined in the kinematical Hilbert space, it is possible to introduce a family of generalized holonomylike operators of which some are well defined; these operators in turn are used in the definition of the Hamiltonian constraint operator where the scalar field can be used as a relational clock. The resulting quantum theory is closely related, although not identical, to standard loop quantum cosmology constructed from the Ashtekar-Barbero variables with a real Immirzi parameter. Effective Friedmann equations are derived which provide a good approximation to the full quantum dynamics for sharply peaked states whose volume remains much larger than the Planck volume, and they show that for these states quantum gravity effects resolve the big-bang and big-crunch singularities and replace them by a nonsingular bounce. Finally, the loop quantization in self-dual variables of a flat Friedmann space-time is recovered in the limit of zero spatial curvature and is identical to the standard loop quantization in terms of the real-valued Ashtekar-Barbero variables.

Quantum Theories of Self-Localization

NASA Astrophysics Data System (ADS)

Bernstein, Lisa Joan

In the classical dynamics of coupled oscillator systems, nonlinearity leads to the existence of stable solutions in which energy remains localized for all time. Here the quantum-mechanical counterpart of classical self-localization is investigated in the context of two model systems. For these quantum models, the terms corresponding to classical nonlinearities modify a subset of the stationary quantum states to be particularly suited to the creation of nonstationary wavepackets that localize energy for long times. The first model considered here is the Quantized Discrete Self-Trapping model (QDST), a system of anharmonic oscillators with linear dispersive coupling used to model local modes of vibration in polyatomic molecules. A simple formula is derived for a particular symmetry class of QDST systems which gives an analytic connection between quantum self-localization and classical local modes. This formula is also shown to be useful in the interpretation of the vibrational spectra of some molecules. The second model studied is the Frohlich/Einstein Dimer (FED), a two-site system of anharmonically coupled oscillators based on the Frohlich Hamiltonian and motivated by the theory of Davydov solitons in biological protein. The Born-Oppenheimer perturbation method is used to obtain approximate stationary state wavefunctions with error estimates for the FED at the first excited level. A second approach is used to reduce the first excited level FED eigenvalue problem to a system of ordinary differential equations. A simple theory of low-energy self-localization in the FED is discussed. The quantum theories of self-localization in the intrinsic QDST model and the extrinsic FED model are compared.

Reconciling phase diffusion and Hartree-Fock approximation in condensate systems

NASA Astrophysics Data System (ADS)

Giorgi, Gian Luca; de Pasquale, Ferdinando

2012-01-01

Despite the weakly interacting regime, the physics of Bose-Einstein condensates is widely affected by particle-particle interactions. They determine quantum phase diffusion, which is known to be the main cause of loss of coherence. Studying a simple model of two interacting Bose systems, we show how to predict the appearance of phase diffusion beyond the Bogoliubov approximation, providing a self-consistent treatment in the framework of a generalized Hartree-Fock-Bogoliubov perturbation theory.

Numerical analysis of high-power broad-area laser diode with improved heat sinking structure using epitaxial liftoff technique

NASA Astrophysics Data System (ADS)

Kim, Younghyun; Sung, Yunsu; Yang, Jung-Tack; Choi, Woo-Young

2018-02-01

The characteristics of high-power broad-area laser diodes with the improved heat sinking structure are numerically analyzed by a technology computer-aided design based self-consistent electro-thermal-optical simulation. The high-power laser diodes consist of a separate confinement heterostructure of a compressively strained InGaAsP quantum well and GaInP optical cavity layers, and a 100-μm-wide rib and a 2000-μm long cavity. In order to overcome the performance deteriorations of high-power laser diodes caused by self-heating such as thermal rollover and thermal blooming, we propose the high-power broad-area laser diode with improved heat-sinking structure, which another effective heat-sinking path toward the substrate side is added by removing a bulk substrate. It is possible to obtain by removing a 400-μm-thick GaAs substrate with an AlAs sacrificial layer utilizing well-known epitaxial liftoff techniques. In this study, we present the performance improvement of the high-power laser diode with the heat-sinking structure by suppressing thermal effects. It is found that the lateral far-field angle as well as quantum well temperature is expected to be improved by the proposed heat-sinking structure which is required for high beam quality and optical output power, respectively.

First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments.

PubMed

Roy, Tapta Kanchan; Sharma, Rahul; Gerber, R Benny

2016-01-21

First-principles quantum calculations for anharmonic vibrational spectroscopy of three protected dipeptides are carried out and compared with experimental data. Using hybrid HF/MP2 potentials, the Vibrational Self-Consistent Field with Second-Order Perturbation Correction (VSCF-PT2) algorithm is used to compute the spectra without any ad hoc scaling or fitting. All of the vibrational modes (135 for the largest system) are treated quantum mechanically and anharmonically using full pair-wise coupling potentials to represent the interaction between different modes. In the hybrid potential scheme the MP2 method is used for the harmonic part of the potential and a modified HF method is used for the anharmonic part. The overall agreement between computed spectra and experiment is very good and reveals different signatures for different conformers. This study shows that first-principles spectroscopic calculations of good accuracy are possible for dipeptides hence it opens possibilities for determination of dipeptide conformer structures by comparison of spectroscopic calculations with experiment.

Optical gain spectra of 1.55 μm GaAs/GaN.58yAs1-1.58yBiy/GaAs single quantum well

NASA Astrophysics Data System (ADS)

Guizani, I.; Bilel, C.; Habchi, M. M.; Rebey, A.

2017-02-01

The optical gain spectra of doped lattice-matched GaNAsBi-based single quantum well (SQW) was theoretically investigated using a (16 × 16) band anti-crossing (BAC) model combined with self-consistent calculation. For the sake of comparison, we computed the optical gain of both (i-n-i) and (i-p-i) doped well types in GaAs/GaNAsBi/GaAs quantum structure. The highest obtained material gain Gmax was 1.2 ×104 cm-1 for (i-n-i) type doped with N2Dd = 2.5 ×1012 cm-2 . We proposed investigating the p-i-n type structure to enhance the optical performance of GaAs/GaNAsBi/GaAs SQW. The Bi composition was optimized in order to obtain Te 1 - h 1 = 1.55 μ m . The effect of well width on optical gain spectra was also discussed.

Ultralight Axion Dark Matter and Its Impact on Dark Halo Structure in N-body Simulations

NASA Astrophysics Data System (ADS)

Zhang, Jiajun; Sming Tsai, Yue-Lin; Kuo, Jui-Lin; Cheung, Kingman; Chu, Ming-Chung

2018-01-01

Ultralight axion is a dark matter candidate with mass { O }({10}-22){eV} and de Broglie wavelength of order kiloparsec. Such an axion, also called fuzzy dark matter (FDM), thermalizes via gravitational force and forms a Bose–Einstein condensate. Recent studies suggested that the quantum pressure from FDM can significantly affect structure formation in small scales, thus alleviating the so-called “small-scale crisis.” In this paper, we develop a new technique to discretize the quantum pressure and illustrate the interactions among FDM particles in an N-body simulation that accurately simulates the formation of the dark matter halo and its inner structure in the region outside the softening length. In a self-gravitationally bound virialized halo, we find a constant density solitonic core, which is consistent with theoretical prediction. The existence of the solitonic core reveals the nonlinear effect of quantum pressure and impacts structure formation in the FDM model.

Fano effect dominance over Coulomb blockade in transport properties of parallel coupled quantum dot system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brogi, Bharat Bhushan, E-mail: brogi-221179@yahoo.in; Ahluwalia, P. K.; Chand, Shyam

2015-06-24

Theoretical study of the Coulomb blockade effect on transport properties (Transmission Probability and I-V characteristics) for varied configuration of coupled quantum dot system has been studied by using Non Equilibrium Green Function(NEGF) formalism and Equation of Motion(EOM) method in the presence of magnetic flux. The self consistent approach and intra-dot Coulomb interaction is being taken into account. As the key parameters of the coupled quantum dot system such as dot-lead coupling, inter-dot tunneling and magnetic flux threading through the system can be tuned, the effect of asymmetry parameter and magnetic flux on this tuning is being explored in Coulomb blockademore » regime. The presence of the Coulomb blockade due to on-dot Coulomb interaction decreases the width of transmission peak at energy level ε + U and by adjusting the magnetic flux the swapping effect in the Fano peaks in asymmetric and symmetric parallel configuration sustains despite strong Coulomb blockade effect.« less

Spin Hartree-Fock approach to studying quantum Heisenberg antiferromagnets in low dimensions

NASA Astrophysics Data System (ADS)

Werth, A.; Kopietz, P.; Tsyplyatyev, O.

2018-05-01

We construct a new mean-field theory for a quantum (spin-1/2) Heisenberg antiferromagnet in one (1D) and two (2D) dimensions using a Hartree-Fock decoupling of the four-point correlation functions. We show that the solution to the self-consistency equations based on two-point correlation functions does not produce any unphysical finite-temperature phase transition, in accord with the Mermin-Wagner theorem, unlike the common approach based on the mean-field equation for the order parameter. The next-neighbor spin-spin correlation functions, calculated within this approach, reproduce closely the strong renormalization by quantum fluctuations obtained via a Bethe ansatz in 1D and a small renormalization of the classical antiferromagnetic state in 2D. The heat capacity approximates with reasonable accuracy the full Bethe ansatz result at all temperatures in 1D. In 2D, we obtain a reduction of the peak height in the heat capacity at a finite temperature that is accessible by high-order 1 /T expansions.

Design and Performance Analysis of Depletion-Mode InSb Quantum-Well Field-Effect Transistor for Logic Applications

NASA Astrophysics Data System (ADS)

Islam, R.; Uddin, M. M.; Hossain, M. Mofazzal; Matin, M. A.

The design of a 1μm gate length depletion-mode InSb quantum-well field-effect transistor (QWFET) with a 10nm-thick Al2O3 gate dielectric has been optimized using a quantum corrected self-consistent Schrödinger-Poisson (QCSP) and two-dimensional drift-diffusion model. The model predicts a very high electron mobility of 4.42m2V-1s-1 at Vg=0V, a small pinch off gate voltage (Vp) of -0.25V, a maximum extrinsic transconductance (gm) of ˜4.85mS/μm and a drain current density of more than 3.34mA/μm. A short-circuit current-gain cut-off frequency (fT) of 374GHz and a maximum oscillation frequency (fmax) of 645GHz are predicted for the device. These characteristics make the device a potential candidate for low power, high-speed logic electronic device applications.

The polarization response in InAs quantum dots: theoretical correlation between composition and electronic properties.

PubMed

Usman, Muhammad; Tasco, Vittorianna; Todaro, Maria Teresa; De Giorgi, Milena; O'Reilly, Eoin P; Klimeck, Gerhard; Passaseo, Adriana

2012-04-27

III-V growth and surface conditions strongly influence the physical structure and resulting optical properties of self-assembled quantum dots (QDs). Beyond the design of a desired active optical wavelength, the polarization response of QDs is of particular interest for optical communications and quantum information science. Previous theoretical studies based on a pure InAs QD model failed to reproduce experimentally observed polarization properties. In this work, multi-million atom simulations are performed in an effort to understand the correlation between chemical composition and polarization properties of QDs. A systematic analysis of QD structural parameters leads us to propose a two-layer composition model, mimicking In segregation and In-Ga intermixing effects. This model, consistent with mostly accepted compositional findings, allows us to accurately fit the experimental PL spectra. The detailed study of QD morphology parameters presented here serves as a tool for using growth dynamics to engineer the strain field inside and around the QD structures, allowing tuning of the polarization response.

A universal self-charging system driven by random biomechanical energy for sustainable operation of mobile electronics

NASA Astrophysics Data System (ADS)

Niu, Simiao; Wang, Xiaofeng; Yi, Fang; Zhou, Yu Sheng; Wang, Zhong Lin

2015-12-01

Human biomechanical energy is characterized by fluctuating amplitudes and variable low frequency, and an effective utilization of such energy cannot be achieved by classical energy-harvesting technologies. Here we report a high-efficient self-charging power system for sustainable operation of mobile electronics exploiting exclusively human biomechanical energy, which consists of a high-output triboelectric nanogenerator, a power management circuit to convert the random a.c. energy to d.c. electricity at 60% efficiency, and an energy storage device. With palm tapping as the only energy source, this power unit provides a continuous d.c. electricity of 1.044 mW (7.34 W m-3) in a regulated and managed manner. This self-charging unit can be universally applied as a standard `infinite-lifetime' power source for continuously driving numerous conventional electronics, such as thermometers, electrocardiograph system, pedometers, wearable watches, scientific calculators and wireless radio-frequency communication system, which indicates the immediate and broad applications in personal sensor systems and internet of things.

A universal self-charging system driven by random biomechanical energy for sustainable operation of mobile electronics.

PubMed

Niu, Simiao; Wang, Xiaofeng; Yi, Fang; Zhou, Yu Sheng; Wang, Zhong Lin

2015-12-11

Human biomechanical energy is characterized by fluctuating amplitudes and variable low frequency, and an effective utilization of such energy cannot be achieved by classical energy-harvesting technologies. Here we report a high-efficient self-charging power system for sustainable operation of mobile electronics exploiting exclusively human biomechanical energy, which consists of a high-output triboelectric nanogenerator, a power management circuit to convert the random a.c. energy to d.c. electricity at 60% efficiency, and an energy storage device. With palm tapping as the only energy source, this power unit provides a continuous d.c. electricity of 1.044 mW (7.34 W m(-3)) in a regulated and managed manner. This self-charging unit can be universally applied as a standard 'infinite-lifetime' power source for continuously driving numerous conventional electronics, such as thermometers, electrocardiograph system, pedometers, wearable watches, scientific calculators and wireless radio-frequency communication system, which indicates the immediate and broad applications in personal sensor systems and internet of things.

Transformation of self-assembled InAs/InP quantum dots into quantum rings without capping.

PubMed

Sormunen, Jaakko; Riikonen, Juha; Mattila, Marco; Tiilikainen, Jouni; Sopanen, Markku; Lipsanen, Harri

2005-08-01

Transformation of self-assembled InAs quantum dots (QDs) on InP(100) into quantum rings (QRs) is studied. In contrast to the typical approach to III--V semiconductor QR growth, the QDs are not capped to form rings. Atomic force micrographs reveal a drastic change from InAs QDs into rings after a growth interruption in tertiarybutylphosphine ambient. Strain energy relief in the InAs QD is discussed and a mechanism for dot-to-ring transformation by As/P exchange reactions is proposed.

Modeling of the Magnetization Behavior of Realistic Self-Organized InAs/GaAs Quantum Craters as Observed with Cross-Sectional STM

NASA Astrophysics Data System (ADS)

Fomin, V. M.; Gladilin, V. N.; Devreese, J. T.; Offermans, P.; Koenraad, P. M.; Wolter, J. H.; García, J. M.; Granados, D.

2005-06-01

Recently, using cross-sectional scanning-tunneling microscopy (X-STM), it was shown that self-organized ring-like InAs quantum dots are much smaller in diameter than it is expected from atomic force microscopy measurements and, moreover, that they possess a depression rather than an opening in the central region. For those quantum craters, we analyze the possibility to reveal the electronic properties (like the Aharonov-Bohm oscillations) peculiar to doubly connected geometry of quantum rings.

Induction heating using induction coils in series-parallel circuits

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsen, Marc Rollo; Geren, William Preston; Miller, Robert James

A part is inductively heated by multiple, self-regulating induction coil circuits having susceptors, coupled together in parallel and in series with an AC power supply. Each of the circuits includes a tuning capacitor that tunes the circuit to resonate at the frequency of AC power supply.

Manipulating fluids: Advances in micro-fluidics, opto-fluidics and fluidic self assembly

NASA Astrophysics Data System (ADS)

Vyawahare, Saurabh

This dissertation describes work in three inter-related areas---micro-fluidics, opto-fluidics and fluidic self-assembly. Micro-fluidics has gotten a boost in recent years with the development of multilayered elastomeric devices made of poly (dimethylsiloxane) (PDMS), allowing active elements like valves and pumps. However, while PDMS has many advantages, it is not resistant to organic solvents. New materials and/or new designs are needed for solvent resistance. I describe how novel fluorinated elastomers can replace PDMS when combined with the three dimensional (3-D) solid printing. I also show how another 3-D fabrication method, multilayer photo-lithography, allows for fabrication of devices integrating filters. In general, 3-D fabrications allow new kinds of micro-fluidic devices to be made that would be impossible to emulate with two dimensional chips. In opto-fluidics, I describe a number of experiments with quantum dots both inside and outside chips. Inside chips, I manipulate quantum dots using hydrodynamic focusing to pattern fine lines, like a barcode. Outside chips, I describe our attempts to create quantum dot composites with micro-spheres. I also show how evaporated gold films and chemical passivation can then be used to enhance the emission of quantum dots. Finally, within fluids, self assembly is an attractive way to manipulate materials, and I provide two examples: first, a DNA-based energy transfer molecule that relies on quantum mechanics and self-assembles inside fluids. This kind of molecular photonics mimics parts of the photosynthetic apparatus of plants and bacteria. The second example of self-assembly in fluids describes a new phenomena---the surface tension mediated self assembly of particles like quantum dots and micro-spheres into fine lines. This self assembly by capillary flows can be combined with photo-lithography, and is expected to find use in future nano- and micro-fabrication schemes. In conclusion, advances in fludics, integrating materials like quantum dots and solvent resistant elastomers along with 3-D fabrication and methods of self assembly, provide a new set of tools that significantly expand our control over fluids.

A controlled study of the time-course of breath alcohol concentration after moderate ingestion of ethanol following a social drinking session.

PubMed

Barquín, Jesús; Luna, Juan de Dios; Hernández, Antonio F

2008-05-20

This paper evaluates the breath alcohol concentration (BrAC), nausea (feeling of being slightly intoxicated) and subjective driving performance after ingesting a moderate dose of alcohol in the presence of a light meal, which intends to approach a social drinking setting. 119 healthy individuals (69 males and 50 females, aged 21.7+/-3.0) ingested three glasses of wine (95mL each) and their BrAC was determined by an Alcotest 7410 at 15, 30, 45, 60, 90 and 120min post-drinking. 46% of females and no male subjects exceeded a BrAC of 0.25mg/L, the legal limit for driving fixed by some Western countries. 53% of the study population felt nausea during the experimental session and 20% self-reported impairment of their driving skills. In both cases these subjective effects were more pronounced in females. The major determinants of mean BrAC were time post-drinking, gender (male) and body mass index (BMI), all these variables being inversely associated. Females and individuals with a BMI lower than 22.5kg/m(2) were at an increased risk of exceeding the legal limit of BrAC. The feeling of nausea was significantly associated with gender (females), the ingestion of up to 2 drinks on weekdays, and having exceeded a BrAC of 0.25mg/L during the experimental study. The main predictor of self-perception of impaired driving skills was the feeling of nausea, followed by a BrAC in excess of 0.25mg/L. In conclusion, both females and subjects with lower BMI are at an increased risk of exceeding the legal limit of BrAC after moderate alcohol consumption resembling a social drinking setting.

A multiscale quantum mechanics/electromagnetics method for device simulations.

PubMed

Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua

2015-04-07

Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

Probing the excited subband dispersion of holes confined to GaAs wide quantum wells

NASA Astrophysics Data System (ADS)

Jo, Insun; Liu, Yang; Deng, H.; Shayegan, M.; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.; Winkler, R.

Owing to the strong spin-orbit coupling and their large effective mass, the two-dimensional (2D) holes in modulation-doped GaAs quantum wells provide a fertile test bed to study the rich physics of low-dimensional systems. In a wide quantum well, even at moderate 2D densities, the holes start to occupy the excited subband, a subband whose dispersion is very unusual and has a non-monotonic dependence on the wave vector. Here, we study a 2D hole system confined to a 40-nm-thick (001) GaAs quantum well and demonstrate that, via the application of both front and back gates, the density can be tuned in a wide range, between ~1 and 2 ×1011 cm-2. Using Fourier analysis of the low-field Shubnikov-de Haas oscillations, we investigate the population of holes and the spin-orbit interaction induced spin-splitting in different subbands. We discuss the results in light of self-consistent quantum calculations of magneto-oscillations. Work support by the DOE BES (DE-FG02-00-ER45841), the NSF (Grants DMR-1305691 and MRSEC DMR-1420541), the Gordon and Betty Moore Foundation (Grant GBMF4420), and Keck Foundation for experiments, and the NSF Grant DMR-1310199 for calculations.

Anharmonic phonon-phonon scattering modeling of three-dimensional atomistic transport: An efficient quantum treatment

NASA Astrophysics Data System (ADS)

Lee, Y.; Bescond, M.; Logoteta, D.; Cavassilas, N.; Lannoo, M.; Luisier, M.

2018-05-01

We propose an efficient method to quantum mechanically treat anharmonic interactions in the atomistic nonequilibrium Green's function simulation of phonon transport. We demonstrate that the so-called lowest-order approximation, implemented through a rescaling technique and analytically continued by means of the Padé approximants, can be used to accurately model third-order anharmonic effects. Although the paper focuses on a specific self-energy, the method is applicable to a very wide class of physical interactions. We apply this approach to the simulation of anharmonic phonon transport in realistic Si and Ge nanowires with uniform or discontinuous cross sections. The effect of increasing the temperature above 300 K is also investigated. In all the considered cases, we are able to obtain a good agreement with the routinely adopted self-consistent Born approximation, at a remarkably lower computational cost. In the more complicated case of high temperatures (≫300 K), we find that the first-order Richardson extrapolation applied to the sequence of the Padé approximants N -1 /N results in a significant acceleration of the convergence.

ACS/WFC Sky Flats from Frontier Fields Imaging

NASA Astrophysics Data System (ADS)

Mack, J.; Lucas, R. A.; Grogin, N. A.; Bohlin, R. C.; Koekemoer, A. M.

2018-04-01

Parallel imaging data from the HST Frontier Fields campaign (Lotz et al. 2017) have been used to compute sky flats for the ACS/WFC detector in order to verify the accuracy of the current set of flat field reference files. By masking sources and then co-adding many deep frames, the F606W and F814W filters have enough combined background signal that from Poisson statistics are <1% per pixel. In these two filters, the sky flats show spatial residuals 1% or less. These residuals are similar in shape to the WFC flat field 'donut' pattern, in which the detector quantum efficiency tracks the thickness of the two WFC chips. Observations of blue and red calibration standards measured at various positions on the detector (Bohlin et al. 2017) confirm the fidelity of the F814W flat, with aperture photometry consistent to 1% across the FOV, regardless of spectral type. At bluer wavelengths, the total sky background is substantially lower, and the F435W sky flat shows a combination of both flat errors and detector artifacts. Aperture photometry of the red standard star shows a maximum deviation of 1.4% across the array in this filter. Larger residuals up to 2.5% are found for the blue standard, suggesting that the spatial sensitivity in F435W depends on spectral type.

A Single-Phase Embedded Z-Source DC-AC Inverter

PubMed Central

Kim, Se-Jin; Lim, Young-Cheol

2014-01-01

In the conventional DC-AC inverter consisting of two DC-DC converters with unipolar output capacitors, the output capacitor voltages of the DC-DC converters must be higher than the DC input voltage. To overcome this weakness, this paper proposes a single-phase DC-AC inverter consisting of two embedded Z-source converters with bipolar output capacitors. The proposed inverter is composed of two embedded Z-source converters with a common DC source and output AC load. Though the output capacitor voltages of the converters are relatively low compared to those of a conventional inverter, an equivalent level of AC output voltages can be obtained. Moreover, by controlling the output capacitor voltages asymmetrically, the AC output voltage of the proposed inverter can be higher than the DC input voltage. To verify the validity of the proposed inverter, experiments were performed with a DC source voltage of 38 V. By controlling the output capacitor voltages of the converters symmetrically or asymmetrically, the proposed inverter can produce sinusoidal AC output voltages. The experiments show that efficiencies of up to 95% and 97% can be achieved with the proposed inverter using symmetric and asymmetric control, respectively. PMID:25133241

A single-phase embedded Z-source DC-AC inverter.

PubMed

Kim, Se-Jin; Lim, Young-Cheol

2014-01-01

In the conventional DC-AC inverter consisting of two DC-DC converters with unipolar output capacitors, the output capacitor voltages of the DC-DC converters must be higher than the DC input voltage. To overcome this weakness, this paper proposes a single-phase DC-AC inverter consisting of two embedded Z-source converters with bipolar output capacitors. The proposed inverter is composed of two embedded Z-source converters with a common DC source and output AC load. Though the output capacitor voltages of the converters are relatively low compared to those of a conventional inverter, an equivalent level of AC output voltages can be obtained. Moreover, by controlling the output capacitor voltages asymmetrically, the AC output voltage of the proposed inverter can be higher than the DC input voltage. To verify the validity of the proposed inverter, experiments were performed with a DC source voltage of 38 V. By controlling the output capacitor voltages of the converters symmetrically or asymmetrically, the proposed inverter can produce sinusoidal AC output voltages. The experiments show that efficiencies of up to 95% and 97% can be achieved with the proposed inverter using symmetric and asymmetric control, respectively.

Local Aqueous Solvation Structure Around Ca2+ During Ca2+---Cl– Pair Formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baer, Marcel D.; Mundy, Christopher J.

2016-03-03

The molecular details of single ion solvation around Ca2+ and ion-pairing of Ca2--Cl- are investigated using ab initio molecular dynamics. The use of empirical dispersion corrections to the BLYP functional are investigated by comparison to experimentally available extended X-ray absorption fine structure (EXAFS) measurements, which probes the first solvation shell in great detail. Besides finding differences in the free-energy for both ion-pairing and the coordination number of ion solvation between the quantum and classical descriptions of interaction, there were important differences found between dispersion corrected and uncorrected density functional theory (DFT). Specifically, we show significantly different free-energy landscapes for bothmore » coordination number of Ca2+ and its ion-pairing with Cl- depending on the DFT simulation protocol. Our findings produce a self-consistent treatment of short-range solvent response to the ion and the intermediate to long-range collective response of the electrostatics of the ion-ion interaction to produce a detailed picture of ion-pairing that is consistent with experiment. MDB is supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory. It was conducted under the Laboratory Directed Research and Development Program at PNNL, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. CJM acknowledges support from US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Additional computing resources were generously allocated by PNNL's Institutional Computing program. The authors thank Prof. Tom Beck for discussions regarding QCT, and Drs. Greg Schenter and Shawn Kathmann for insightful comments.« less

Cloud Properties under Different Synoptic Circulations: Comparison of Radiosonde and Ground-Based Active Remote Sensing Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jinqiang; Li, Jun; Xia, Xiangao

In this study, long-term (10 years) radiosonde-based cloud data are compared with the ground-based active remote sensing product under six prevailing large-scale synoptic patterns, i.e., cyclonic center (CC), weak pressure pattern (WP), the southeast bottom of cyclonic center (CB), cold front (CF), anticyclone edge (AE) and anticyclone center (AC) over the Southern Great Plains (SGP) site. The synoptic patterns are generated by applying the self-organizing map weather classification method to the daily National Centers for Environmental Protection mean sea level pressure records from the North American Regional Reanalysis. It reveals that the large-scale synoptic circulations can strongly influence the regionalmore » cloud formation, and thereby have impact on the consistency of cloud retrievals from the radiosonde and ground-based cloud product. The total cloud cover at the SGP site is characterized by the least in AC and the most in CF. The minimum and maximum differences between the two cloud methods are 10.3% for CC and 13.3% for WP. Compared to the synoptic patterns characterized by scattered cloudy and clear skies (AE and AC), the agreement of collocated cloud boundaries between the two cloud approaches tends to be better under the synoptic patterns dominated by overcast and cloudy skies (CC, WP and CB). The rainy and windy weather conditions in CF synoptic pattern influence the consistency of the two cloud retrieval methods associated with the limited capabilities inherent to the instruments. As a result, the cloud thickness distribution from the two cloud datasets compares favorably with each other in all synoptic patterns, with relative discrepancy of ≤0.3 km.« less

Cloud Properties under Different Synoptic Circulations: Comparison of Radiosonde and Ground-Based Active Remote Sensing Measurements

DOE PAGES

Zhang, Jinqiang; Li, Jun; Xia, Xiangao; ...

2016-11-28

In this study, long-term (10 years) radiosonde-based cloud data are compared with the ground-based active remote sensing product under six prevailing large-scale synoptic patterns, i.e., cyclonic center (CC), weak pressure pattern (WP), the southeast bottom of cyclonic center (CB), cold front (CF), anticyclone edge (AE) and anticyclone center (AC) over the Southern Great Plains (SGP) site. The synoptic patterns are generated by applying the self-organizing map weather classification method to the daily National Centers for Environmental Protection mean sea level pressure records from the North American Regional Reanalysis. It reveals that the large-scale synoptic circulations can strongly influence the regionalmore » cloud formation, and thereby have impact on the consistency of cloud retrievals from the radiosonde and ground-based cloud product. The total cloud cover at the SGP site is characterized by the least in AC and the most in CF. The minimum and maximum differences between the two cloud methods are 10.3% for CC and 13.3% for WP. Compared to the synoptic patterns characterized by scattered cloudy and clear skies (AE and AC), the agreement of collocated cloud boundaries between the two cloud approaches tends to be better under the synoptic patterns dominated by overcast and cloudy skies (CC, WP and CB). The rainy and windy weather conditions in CF synoptic pattern influence the consistency of the two cloud retrieval methods associated with the limited capabilities inherent to the instruments. As a result, the cloud thickness distribution from the two cloud datasets compares favorably with each other in all synoptic patterns, with relative discrepancy of ≤0.3 km.« less

Dissipative quantum hydrodynamics model of x-ray Thomson scattering in dense plasmas

NASA Astrophysics Data System (ADS)

Diaw, Abdourahmane; Murillo, Michael

2017-10-01

X-ray Thomson scattering (XRTS) provides detailed diagnostic information about dense plasma experiments. The inferences made rely on an accurate model for the form factor, which is typically expressed in terms of a well-known response function. Here, we develop an alternate approach based on quantum hydrodynamics using a viscous form of dynamical density functional theory. This approach is shown to include the equation of state self-consistently, including sum rules, as well as irreversibility arising from collisions. This framework is used to generate a model for the scattering spectrum, and it offers an avenue for measuring hydrodynamic properties, such as transport coefficients, using XRTS. This work was supported by the Air Force Office of Scientific Research (Grant No. FA9550-12-1-0344).

Multi-Dimensional Quantum Effect Simulation Using a Density-Gradient Model and Script-Level Programming Techniques

NASA Technical Reports Server (NTRS)

Rafferty, Connor S.; Biegel, Bryan A.; Yu, Zhi-Ping; Ancona, Mario G.; Bude, J.; Dutton, Robert W.; Saini, Subhash (Technical Monitor)

1998-01-01

A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.

Conductivity of Weakly Disordered Metals Close to a "Ferromagnetic" Quantum Critical Point

NASA Astrophysics Data System (ADS)

Kastrinakis, George

2018-05-01

We calculate analytically the conductivity of weakly disordered metals close to a "ferromagnetic" quantum critical point in the low-temperature regime. Ferromagnetic in the sense that the effective carrier potential V(q,ω ), due to critical fluctuations, is peaked at zero momentum q=0. Vertex corrections, due to both critical fluctuations and impurity scattering, are explicitly considered. We find that only the vertex corrections due to impurity scattering, combined with the self-energy, generate appreciable effects as a function of the temperature T and the control parameter a, which measures the proximity to the critical point. Our results are consistent with resistivity experiments in several materials displaying typical Fermi liquid behaviour, but with a diverging prefactor of the T^2 term for small a.

Analytical model for the threshold voltage of III-V nanowire transistors including quantum effects

NASA Astrophysics Data System (ADS)

Marin, E. G.; Ruiz, F. G.; Tienda-Luna, I. M.; Godoy, A.; Gámiz, F.

2014-02-01

In this work we propose an analytical model for the threshold voltage (VT) of III-V cylindrical nanowires, that takes into consideration the two dimensional quantum confinement of the carriers, the Fermi-Dirac statistics, the wave-function penetration into the gate insulator and the non-parabolicity of the conduction band structure. A simple expression for VT is obtained assuming some suitable approximations. The model results are compared to those of a 2D self consistent Schrödinger-Poisson solver, demonstrating a good fit for different III-V materials, insulator thicknesses and nanowire sizes with diameter down to 5 nm. The VT dependence on the confinement effective mass is discussed. The different contributions to VT are analyzed showing significant variations among different III-V materials.

Luminescence and efficiency optimization of InGaN/GaN core-shell nanowire LEDs by numerical modelling

NASA Astrophysics Data System (ADS)

Römer, Friedhard; Deppner, Marcus; Andreev, Zhelio; Kölper, Christopher; Sabathil, Matthias; Strassburg, Martin; Ledig, Johannes; Li, Shunfeng; Waag, Andreas; Witzigmann, Bernd

2012-02-01

We present a computational study on the anisotropic luminescence and the efficiency of a core-shell type nanowire LED based on GaN with InGaN active quantum wells. The physical simulator used for analyzing this device integrates a multidimensional drift-diffusion transport solver and a k . p Schrödinger problem solver for quantization effects and luminescence. The solution of both problems is coupled to achieve self-consistency. Using this solver we investigate the effect of dimensions, design of quantum wells, and current injection on the efficiency and luminescence of the core-shell nanowire LED. The anisotropy of the luminescence and re-absorption is analyzed with respect to the external efficiency of the LED. From the results we derive strategies for design optimization.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratap, Surender; Sarkar, Niladri, E-mail: niladri@pilani.bits-pilani.ac.in

Self-Consistent Quantum Method using Schrodinger-Poisson equations have been used for determining the Channel electron density of Nano-Scale MOSFETs for 6nm and 9nm thick channels. The 6nm thick MOSFET show the peak of the electron density at the middle where as the 9nm thick MOSFET shows the accumulation of the electrons at the oxide/semiconductor interface. The electron density in the channel is obtained from the diagonal elements of the density matrix; [ρ]=[1/(1+exp(β(H − μ)))] A Tridiagonal Hamiltonian Matrix [H] is constructed for the oxide/channel/oxide 1D structure for the dual gate MOSFET. This structure is discretized and Finite-Difference method is used formore » constructing the matrix equation. The comparison of these results which are obtained by Quantum methods are done with Semi-Classical methods.« less

Self-energy renormalization for inhomogeneous nonequilibrium systems and field expansion via complete set of time-dependent wavefunctions

NASA Astrophysics Data System (ADS)

Kuwahara, Y.; Nakamura, Y.; Yamanaka, Y.

2018-04-01

The way to determine the renormalized energy of inhomogeneous systems of a quantum field under an external potential is established for both equilibrium and nonequilibrium scenarios based on thermo field dynamics. The key step is to find an extension of the on-shell concept valid in homogeneous case. In the nonequilibrium case, we expand the field operator by time-dependent wavefunctions that are solutions of the appropriately chosen differential equation, synchronizing with temporal change of thermal situation, and the quantum transport equation is derived from the renormalization procedure. Through numerical calculations of a triple-well model with a reservoir, we show that the number distribution and the time-dependent wavefunctions are relaxed consistently to the correct equilibrium forms at the long-term limit.

Self-adjointness of deformed unbounded operators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Much, Albert

2015-09-15

We consider deformations of unbounded operators by using the novel construction tool of warped convolutions. By using the Kato-Rellich theorem, we show that unbounded self-adjoint deformed operators are self-adjoint if they satisfy a certain condition. This condition proves itself to be necessary for the oscillatory integral to be well-defined. Moreover, different proofs are given for self-adjointness of deformed unbounded operators in the context of quantum mechanics and quantum field theory.

Magneto-optical response of InAs lens-shaped self-assembled quantum dots

NASA Technical Reports Server (NTRS)

Klimeck, G.; Oyafuso, F.; Lee, S.; Allmen, P. von

2003-01-01

In this work, we demonstrate a realistic modeling of the electronic structure for InAs self-assembled quantum dots and investigate the magneto-optical response, i.e., Zeeman splitting and transition rates between electron and hole levels.

AC signal characterization for optimization of a CMOS single-electron pump

NASA Astrophysics Data System (ADS)

Murray, Roy; Perron, Justin K.; Stewart, M. D., Jr.; Zimmerman, Neil M.

2018-02-01

Pumping single electrons at a set rate is being widely pursued as an electrical current standard. Semiconductor charge pumps have been pursued in a variety of modes, including single gate ratchet, a variety of 2-gate ratchet pumps, and 2-gate turnstiles. Whether pumping with one or two AC signals, lower error rates can result from better knowledge of the properties of the AC signal at the device. In this work, we operated a CMOS single-electron pump with a 2-gate ratchet style measurement and used the results to characterize and optimize our two AC signals. Fitting this data at various frequencies revealed both a difference in signal path length and attenuation between our two AC lines. Using this data, we corrected for the difference in signal path length and attenuation by applying an offset in both the phase and the amplitude at the signal generator. Operating the device as a turnstile while using the optimized parameters determined from the 2-gate ratchet measurement led to much flatter, more robust charge pumping plateaus. This method was useful in tuning our device up for optimal charge pumping, and may prove useful to the semiconductor quantum dot community to determine signal attenuation and path differences at the device.

Experimental realization of self-guided quantum coherence freezing

NASA Astrophysics Data System (ADS)

Yu, Shang; Wang, Yi-Tao; Ke, Zhi-Jin; Liu, Wei; Zhang, Wen-Hao; Chen, Geng; Tang, Jian-Shun; Li, Chuan-Feng; Guo, Guang-Can

2017-12-01

Quantum coherence is the most essential characteristic of quantum physics, specifcially, when it is subject to the resource-theoretical framework, it is considered as the most fundamental resource for quantum techniques. Other quantum resources, e.g., entanglement, are all based on coherence. Therefore, it becomes urgently important to learn how to preserve coherence in quantum channels. The best preservation is coherence freezing, which has been studied recently. However, in these studies, the freezing condition is theoretically calculated, and there still lacks a practical way to achieve this freezing; in addition the channels are usually fixed, but actually, there are also degrees of freedom that can be used to adapt the channels to quantum states. Here we develop a self-guided quantum coherence freezing method, which can guide either the quantum channels (tunable-channel scheme with upgraded channels) or the initial state (fixed-channel scheme) to the coherence-freezing zone from any starting estimate. Specifically, in the fixed-channel scheme, the final-iterative quantum states all satisfy the previously calculated freezing condition. This coincidence demonstrates the validity of our method. Our work will be helpful for the better protection of quantum coherence.

Self-guaranteed measurement-based quantum computation

NASA Astrophysics Data System (ADS)

Hayashi, Masahito; Hajdušek, Michal

2018-05-01

In order to guarantee the output of a quantum computation, we usually assume that the component devices are trusted. However, when the total computation process is large, it is not easy to guarantee the whole system when we have scaling effects, unexpected noise, or unaccounted for correlations between several subsystems. If we do not trust the measurement basis or the prepared entangled state, we do need to be worried about such uncertainties. To this end, we propose a self-guaranteed protocol for verification of quantum computation under the scheme of measurement-based quantum computation where no prior-trusted devices (measurement basis or entangled state) are needed. The approach we present enables the implementation of verifiable quantum computation using the measurement-based model in the context of a particular instance of delegated quantum computation where the server prepares the initial computational resource and sends it to the client, who drives the computation by single-qubit measurements. Applying self-testing procedures, we are able to verify the initial resource as well as the operation of the quantum devices and hence the computation itself. The overhead of our protocol scales with the size of the initial resource state to the power of 4 times the natural logarithm of the initial state's size.

Incoherent vs. coherent behavior in the normal state of copper oxide superconductors

NASA Technical Reports Server (NTRS)

Tesanovic, Zlatko

1991-01-01

The self-consistent quantum fluctuations around the mean-field Hartree-Fock state of the Hubbard model provide a very good description of the ground state and low temperature properties of a 2-D itinerant antiferromagnet. Very good agreement with numerical calculations and experimental data is obtained by including the one- and two-loop spin wave corrections to various physical quantities. In particular, the destruction of the long-range order above the Neel temperature can be understood as a spontaneous generation of a length-scale epsilon(T), which should be identified as the spin correlation length. For finite doping, the question of the Hartree-Fock starting point becomes a more complex one since an extra hole tends to self-trap in antiferromagnetic background. Such quantum defects in an underlying antiferromagnetic state can be spin-bags or vortex-like structures and tend to suppress the long-range order. If motion of the holes occurs on a time-scale shorter than the one associated with the motion of these quantum defects of a spin background, one obtains several important empirical features of the normal state of CuO superconductors like linear T-dependence of resistivity, the cusp in the tunneling density of states, etc. As opposed to a familiar Fermi-liquid behavior, the phenomenology of the above system is dominated by a large incoherent piece of a single hole propagator, resulting in many unusual normal state properties.

Photon induced non-linear quantized double layer charging in quaternary semiconducting quantum dots.

PubMed

Nair, Vishnu; Ananthoju, Balakrishna; Mohapatra, Jeotikanta; Aslam, M

2018-03-15

Room temperature quantized double layer charging was observed in 2 nm Cu 2 ZnSnS 4 (CZTS) quantum dots. In addition to this we observed a distinct non-linearity in the quantized double layer charging arising from UV light modulation of double layer. UV light irradiation resulted in a 26% increase in the integral capacitance at the semiconductor-dielectric (CZTS-oleylamine) interface of the quantum dot without any change in its core size suggesting that the cause be photocapacitive. The increasing charge separation at the semiconductor-dielectric interface due to highly stable and mobile photogenerated carriers cause larger electrostatic forces between the quantum dot and electrolyte leading to an enhanced double layer. This idea was supported by a decrease in the differential capacitance possible due to an enhanced double layer. Furthermore the UV illumination enhanced double layer gives us an AC excitation dependent differential double layer capacitance which confirms that the charging process is non-linear. This ultimately illustrates the utility of a colloidal quantum dot-electrolyte interface as a non-linear photocapacitor. Copyright © 2017 Elsevier Inc. All rights reserved.

Quantum Coherence and Random Fields at Mesoscopic Scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenbaum, Thomas F.

2016-03-01

We seek to explore and exploit model, disordered and geometrically frustrated magnets where coherent spin clusters stably detach themselves from their surroundings, leading to extreme sensitivity to finite frequency excitations and the ability to encode information. Global changes in either the spin concentration or the quantum tunneling probability via the application of an external magnetic field can tune the relative weights of quantum entanglement and random field effects on the mesoscopic scale. These same parameters can be harnessed to manipulate domain wall dynamics in the ferromagnetic state, with technological possibilities for magnetic information storage. Finally, extensions from quantum ferromagnets tomore » antiferromagnets promise new insights into the physics of quantum fluctuations and effective dimensional reduction. A combination of ac susceptometry, dc magnetometry, noise measurements, hole burning, non-linear Fano experiments, and neutron diffraction as functions of temperature, magnetic field, frequency, excitation amplitude, dipole concentration, and disorder address issues of stability, overlap, coherence, and control. We have been especially interested in probing the evolution of the local order in the progression from spin liquid to spin glass to long-range-ordered magnet.« less

Theoretical L-shell Coster-Kronig energies 11 or equal to z or equal to 103

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Huang, K. N.; Aoyagi, M.; Mark, H.

1976-01-01

Relativistic relaxed-orbital calculations of L-shell Coster-Kronig transition energies have been performed for all possible transitions in atoms with atomic numbers. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order approximation to the local approximation was thus included. Quantum-electrodynamic corrections were made. Each transition energy was computed as the difference between results of separate self-consistent-field calculations for the initial, singly ionized state and the final two-hole state. The following quantities are listed: total transition energy, 'electric' (Dirac-Hartree-Fock-Slater) contribution, magnetic and retardation contributions, and contributions due to vacuum polarization and self energy.

Complete Quantum Control of a Single Silicon-Vacancy Center in a Diamond Nanopillar

NASA Astrophysics Data System (ADS)

Zhang, Jingyuan Linda; Lagoudakis, Konstantinos G.; Tzeng, Yan-Kai; Dory, Constantin; Radulaski, Marina; Kelaita, Yousif; Shen, Zhi-Xun; Melosh, Nicholas A.; Chu, Steven; Vuckovic, Jelena

Coherent quantum control of a quantum bit (qubit) is an important step towards its use in a quantum network. SiV- center in diamond offers excellent physical qualities such as low inhomogeneous broadening, fast photon emission, and a large Debye-Waller factor, while the fast spin manipulation and techniques to extend the spin coherence time are under active investigation. Here, we demonstrate full coherent control over the state of a single SiV- center in a diamond nanopillar using ultrafast optical pulses. The high quality of the chemical vapor deposition grown SiV- centers allows us to coherently manipulate and quasi-resonantly read out the state of the single SiV- center. Moreover, the SiV- centers being coherently controlled are integrated into diamond nanopillar arrays in a site-controlled, individually addressable manner with high yield, low strain, and high spectral stability, which paves the way for scalable on chip optically accessible quantum system in a quantum photonic network. Financial support is provided by the DOE Office of Basic Energy Sciences, Division of Materials Sciences through Stanford Institute for Materials and Energy Sciences (SIMES) under contract DE-AC02-76SF00515.

Method and apparatus for reducing the harmonic currents in alternating-current distribution networks

DOEpatents

Beverly, Leon H.; Hance, Richard D.; Kristalinski, Alexandr L.; Visser, Age T.

1996-01-01

An improved apparatus and method reduce the harmonic content of AC line and neutral line currents in polyphase AC source distribution networks. The apparatus and method employ a polyphase Zig-Zag transformer connected between the AC source distribution network and a load. The apparatus and method also employs a mechanism for increasing the source neutral impedance of the AC source distribution network. This mechanism can consist of a choke installed in the neutral line between the AC source and the Zig-Zag transformer.

Method and apparatus for reducing the harmonic currents in alternating-current distribution networks

DOEpatents

Beverly, L.H.; Hance, R.D.; Kristalinski, A.L.; Visser, A.T.

1996-11-19

An improved apparatus and method reduce the harmonic content of AC line and neutral line currents in polyphase AC source distribution networks. The apparatus and method employ a polyphase Zig-Zag transformer connected between the AC source distribution network and a load. The apparatus and method also employs a mechanism for increasing the source neutral impedance of the AC source distribution network. This mechanism can consist of a choke installed in the neutral line between the AC source and the Zig-Zag transformer. 23 figs.

Transport, shot noise, and topology in AC-driven dimer arrays

NASA Astrophysics Data System (ADS)

Niklas, Michael; Benito, Mónica; Kohler, Sigmund; Platero, Gloria

2016-11-01

We analyze an AC-driven dimer chain connected to a strongly biased electron source and drain. It turns out that the resulting transport exhibits fingerprints of topology. They are particularly visible in the driving-induced current suppression and the Fano factor. Thus, shot noise measurements provide a topological phase diagram as a function of the driving parameters. The observed phenomena can be explained physically by a mapping to an effective time-independent Hamiltonian and the emergence of edge states. Moreover, by considering quantum dissipation, we determine the requirements for the coherence properties in a possible experimental realization. For the computation of the zero-frequency noise, we develop an efficient method based on matrix-continued fractions.

Self-assembled InN quantum dots on side facets of GaN nanowires

NASA Astrophysics Data System (ADS)

Bi, Zhaoxia; Ek, Martin; Stankevic, Tomas; Colvin, Jovana; Hjort, Martin; Lindgren, David; Lenrick, Filip; Johansson, Jonas; Wallenberg, L. Reine; Timm, Rainer; Feidenhans'l, Robert; Mikkelsen, Anders; Borgström, Magnus T.; Gustafsson, Anders; Ohlsson, B. Jonas; Monemar, Bo; Samuelson, Lars

2018-04-01

Self-assembled, atomic diffusion controlled growth of InN quantum dots was realized on the side facets of dislocation-free and c-oriented GaN nanowires having a hexagonal cross-section. The nanowires were synthesized by selective area metal organic vapor phase epitaxy. A 3 Å thick InN wetting layer was observed after growth, on top of which the InN quantum dots formed, indicating self-assembly in the Stranski-Krastanow growth mode. We found that the InN quantum dots can be tuned to nucleate either preferentially at the edges between GaN nanowire side facets, or directly on the side facets by tuning the adatom migration by controlling the precursor supersaturation and growth temperature. Structural characterization by transmission electron microscopy and reciprocal space mapping show that the InN quantum dots are close to be fully relaxed (residual strain below 1%) and that the c-planes of the InN quantum dots are tilted with respect to the GaN core. The strain relaxes mainly by the formation of misfit dislocations, observed with a periodicity of 3.2 nm at the InN and GaN hetero-interface. The misfit dislocations introduce I1 type stacking faults (…ABABCBC…) in the InN quantum dots. Photoluminescence investigations of the InN quantum dots show that the emissions shift to higher energy with reduced quantum dot size, which we attribute to increased quantum confinement.

Evaluation of an intervention to increase self-efficacy for independent exercise in cardiac rehabilitation.

PubMed

Barkley, Sherry A; Fahrenwald, Nancy L

2013-01-01

Adherence to independent exercise is an essential outcome of cardiac rehabilitation (CR), yet limited theory-based interventions to improve adherence exist. This study tested the effects of an intervention based on Bandura's conceptualization of self-efficacy. The self-efficacy coaching intervention (SCI), a supplement to standard care, was designed to increase self-efficacy for independent exercise and independent exercise behavior in CR. We examined whether the SCI vs. attention control (AC) resulted in improved exercise self-efficacy (ESE), barriers self-efficacy (BARSE), and minutes of independent exercise for CR participants (n = 65). While between-group differences did not reach significance (p > .10) for any of the outcome measures, significant within-group changes were noted in BARSE scores and independent exercise (p < .001) for the SCI group. Change in independent exercise for the AC group was also significant (p =. 006). Further study is needed to explore whether short-term changes translate into maintenance of independent exercise participation after program completion.

Oral lichen planus patients exhibit consistent chromosomal numerical aberrations: A follow-up analysis.

PubMed

Yahalom, Ran; Yarom, Noam; Shani, Tali; Amariglio, Ninet; Kaplan, Ilana; Trakhtenbrot, Luba; Hirshberg, Abraham

2016-04-01

Oral lichen planus (OLP) carries an increased risk for malignant transformation with aneuploid cells (ACs) being found in brush samples of a quarter of patients with OLP. Patients with OLP were followed and repeated brush samples were simultaneously analyzed for morphology and fluorescent in situ hybridization (FISH) using centromeric probes for chromosomes 2 and 8. Three patients with a high proportion of ACs developed oral cancer. Fifteen patients had ≥1% ACs (13 in affected sites and 2 in nonaffected sites), whereas only 2 of the 15 patients with <1% ACs in the first sample had ≥1% ACs in the second sample. A strong positive correlation between the results of the initial and repeated samples was found. High proportion of ACs in brush samples from patients with OLP may imply an impending malignant transformation. As FISH analysis is consistent over time, it can be used to identify a subgroup of patients who would require close follow-up. © 2015 Wiley Periodicals, Inc. Head Neck 38: E741-E746, 2016. © 2015 Wiley Periodicals, Inc.

Modeling of ion orbit loss and intrinsic toroidal rotation with the COGENT code

NASA Astrophysics Data System (ADS)

Dorf, M.; Dorr, M.; Cohen, R.; Rognlien, T.; Hittinger, J.

2014-10-01

We discuss recent advances in cross-separatrix neoclassical transport simulations with COGENT, a continuum gyro-kinetic code being developed by the Edge Simulation Laboratory (ESL) collaboration. The COGENT code models the axisymmetric transport properties of edge plasmas including the effects of nonlinear (Fokker-Planck) collisions and a self-consistent electrostatic potential. Our recent work has focused on studies of ion orbit loss and the associated toroidal rotation driven by this mechanism. The results of the COGENT simulations are discussed and analyzed for the parameters of the DIII-D experiment. Work performed for USDOE at LLNL under Contract DE-AC52-07NA27344.

Quasilinear Line Broadened Model for Energetic Particle Transport

NASA Astrophysics Data System (ADS)

Ghantous, Katy; Gorelenkov, Nikolai; Berk, Herbert

2011-10-01

We present a self-consistent quasi-linear model that describes wave-particle interaction in toroidal geometry and computes fast ion transport during TAE mode evolution. The model bridges the gap between single mode resonances, where it predicts the analytically expected saturation levels, and the case of multiple modes overlapping, where particles diffuse across phase space. Results are presented in the large aspect ratio limit where analytic expressions are used for Fourier harmonics of the power exchange between waves and particles, . Implemention of a more realistic mode structure calculated by NOVAK code are also presented. This work is funded by DOE contract DE-AC02-09CH11466.

Quantum.Ligand.Dock: protein-ligand docking with quantum entanglement refinement on a GPU system.

PubMed

Kantardjiev, Alexander A

2012-07-01

Quantum.Ligand.Dock (protein-ligand docking with graphic processing unit (GPU) quantum entanglement refinement on a GPU system) is an original modern method for in silico prediction of protein-ligand interactions via high-performance docking code. The main flavour of our approach is a combination of fast search with a special account for overlooked physical interactions. On the one hand, we take care of self-consistency and proton equilibria mutual effects of docking partners. On the other hand, Quantum.Ligand.Dock is the the only docking server offering such a subtle supplement to protein docking algorithms as quantum entanglement contributions. The motivation for development and proposition of the method to the community hinges upon two arguments-the fundamental importance of quantum entanglement contribution in molecular interaction and the realistic possibility to implement it by the availability of supercomputing power. The implementation of sophisticated quantum methods is made possible by parallelization at several bottlenecks on a GPU supercomputer. The high-performance implementation will be of use for large-scale virtual screening projects, structural bioinformatics, systems biology and fundamental research in understanding protein-ligand recognition. The design of the interface is focused on feasibility and ease of use. Protein and ligand molecule structures are supposed to be submitted as atomic coordinate files in PDB format. A customization section is offered for addition of user-specified charges, extra ionogenic groups with intrinsic pK(a) values or fixed ions. Final predicted complexes are ranked according to obtained scores and provided in PDB format as well as interactive visualization in a molecular viewer. Quantum.Ligand.Dock server can be accessed at http://87.116.85.141/LigandDock.html.

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

PubMed

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.

Consciousness, the brain, and spacetime geometry.

PubMed

Hameroff, S

2001-04-01

What is consciousness? Conventional approaches see it as an emergent property of complex interactions among individual neurons; however these approaches fail to address enigmatic features of consciousness. Accordingly, some philosophers have contended that "qualia," or an experiential medium from which consciousness is derived, exists as a fundamental component of reality. Whitehead, for example, described the universe as being composed of "occasions of experience." To examine this possibility scientifically, the very nature of physical reality must be re-examined. We must come to terms with the physics of spacetime--as described by Einstein's general theory of relativity, and its relation to the fundamental theory of matter--as described by quantum theory. Roger Penrose has proposed a new physics of objective reduction: "OR," which appeals to a form of quantum gravity to provide a useful description of fundamental processes at the quantum/classical borderline. Within the OR scheme, we consider that consciousness occurs if an appropriately organized system is able to develop and maintain quantum coherent superposition until a specific "objective" criterion (a threshold related to quantum gravity) is reached; the coherent system then self-reduces (objective reduction: OR). We contend that this type of objective self-collapse introduces non-computability, an essential feature of consciousness which distinguishes our minds from classical computers. Each OR is taken as an instantaneous event--the climax of a self-organizing process in fundamental spacetime--and a candidate for a conscious Whitehead "occasion of experience." How could an OR process occur in the brain, be coupled to neural activities, and account for other features of consciousness? We nominate a quantum computational OR process with the requisite characteristics to be occurring in cytoskeletal micro-tubules within the brain's neurons. In this model, quantum-superposed states develop in microtubule subunit proteins ("tubulins") within certain brain neurons, remain coherent, and recruit more superposed tubulins until a mass-time-energy threshold (related to quantum gravity) is reached. At that point, self-collapse, or objective reduction (OR), abruptly occurs. We equate the pre-reduction, coherent superposition ("quantum computing") phase with pre-conscious processes, and each instantaneous (and non-computable) OR, or self-collapse, with a discrete conscious event. Sequences of OR events give rise to a "stream" of consciousness. Microtubule-associated proteins can "tune" the quantum oscillations of the coherent superposed states; the OR is thus self-organized, or "orchestrated" ("Orch OR"). Each Orch OR event selects (non-computably) microtubule subunit states which regulate synaptic/neural functions using classical signaling. The quantum gravity threshold for self-collapse is relevant to consciousness, according to our arguments, because macroscopic superposed quantum states each have their own spacetime geometries. These geometries are also superposed, and in some way "separated," but when sufficiently separated, the superposition of spacetime geometries becomes significantly unstable and reduces to a single universe state. Quantum gravity determines the limits of the instability; we contend that the actual choice of state made by Nature is non-computable. Thus each Orch OR event is a self-selection of spacetime geometry, coupled to the brain through microtubules and other biomolecules. If conscious experience is intimately connected with the very physics underlying spacetime structure, then Orch OR in microtubules indeed provides us with a completely new and uniquely promising perspective on the difficult problems of consciousness.

Spin-1 models in the ultrastrong-coupling regime of circuit QED

NASA Astrophysics Data System (ADS)

Albarrán-Arriagada, F.; Lamata, L.; Solano, E.; Romero, G.; Retamal, J. C.

2018-02-01

We propose a superconducting circuit platform for simulating spin-1 models. To this purpose we consider a chain of N ultrastrongly coupled qubit-resonator systems interacting through a grounded superconducting quantum interference device (SQUID). The anharmonic spectrum of the qubit-resonator system and the selection rules imposed by the global parity symmetry allow us to activate well controlled two-body quantum gates via ac pulses applied to the SQUID. We show that our proposal has the same simulation time for any number of spin-1 interacting particles. This scheme may be implemented within the state-of-the-art circuit QED in the ultrastrong coupling regime.

Quantum Zeno Blockade for Next Generation Optical Switching in Fiber Systems

DTIC Science & Technology

2013-09-01

and utilized a self - referential quantum process tomography method to observe the Zeno effect in optical fiber using the ultrafast all- optical switch...controllable and can be used as a knob to study the core physics behind the Zeno-based switching. For this experiment, we developed a self - referential ...efficient optical communications. The quantum Zeno effect can be used to induce or inhibit optical switching through a variety of processes , all of

Genuine Quantum Signatures in Synchronization of Anharmonic Self-Oscillators.

PubMed

Lörch, Niels; Amitai, Ehud; Nunnenkamp, Andreas; Bruder, Christoph

2016-08-12

We study the synchronization of a Van der Pol self-oscillator with Kerr anharmonicity to an external drive. We demonstrate that the anharmonic, discrete energy spectrum of the quantum oscillator leads to multiple resonances in both phase locking and frequency entrainment not present in the corresponding classical system. Strong driving close to these resonances leads to nonclassical steady-state Wigner distributions. Experimental realizations of these genuine quantum signatures can be implemented with current technology.

Academic stress and positive affect: Asian value and self-worth contingency as moderators among Chinese international students.

PubMed

Liao, Kelly Yu-Hsin; Wei, Meifen

2014-01-01

The theoretical model proposed by Berry and colleagues (Berry, 1997; Berry, Kim, Minde, & Mok, 1987) highlights the importance of identifying moderators in the acculturation process. Accordingly, the current study examined the Asian cultural value of family recognition through achievement (FRTA) and contingency of self-worth on academic competence (CSW-AC) as moderators in the association between academic stress and positive affect among Chinese international students. A total of 370 Chinese international students completed online surveys. Results from a hierarchical regression indicated that while academic stress was negatively associated with positive affect, FRTA was positively associated with positive affect. In other words, those with high academic stress reported a lower level of positive affect. However, individuals who endorsed high levels of FRTA reported a higher level of positive affect. In addition, results also revealed a significant interaction between academic stress and CSW-AC on positive affect. Thus, the study's finding supported the moderator role of CSW-AC. Simple effect analyses were conducted to examine the significant interaction. The results showed that higher levels of CSW-AC strengthened the negative association between academic stress and positive affect but lower levels of CSW-AC did not. Future research directions and implications are discussed.

Encapsulation of Aconitine in Self-Assembled Licorice Protein Nanoparticles Reduces the Toxicity In Vivo

NASA Astrophysics Data System (ADS)

Ke, Li-jing; Gao, Guan-zhen; Shen, Yong; Zhou, Jian-wu; Rao, Ping-fan

2015-11-01

Many herbal medicines and compositions are clinically effective but challenged by its safety risks, i.e., aconitine (AC) from aconite species. The combined use of Radix glycyrrhizae (licorice) with Radix aconite L. effectively eliminates toxicity of the later while increasing efficacy. In this study, a boiling-stable 31-kDa protein (namely GP) was purified from licorice and self-assembled into nanoparticles (206.2 ± 2.0 nm) at pH 5.0, 25 °C. The aconitine-encapsulated GP nanoparticles (238.2 ± 1.2 nm) were prepared following the same procedure and tested for its toxicity by intraperitoneal injection on ICR mouse ( n = 8). Injection of GP-AC nanoparticles and the mixed licorice-aconite decoction, respectively, caused mild recoverable toxic effects and no death, while the aconitine, particle-free GP-AC mixture and aconite decoction induced sever toxic effects and 100 % death. Encapsulation of poisonous alkaloids into self-assembled herbal protein nanoparticles contributes to toxicity attenuation of combined use of herbs, implying a prototype nanostructure and a universal principle for the safer clinical applications of herbal medicines.

Proposal to probe quantum nonlocality of Majorana fermions in tunneling experiments

NASA Astrophysics Data System (ADS)

Sau, Jay D.; Swingle, Brian; Tewari, Sumanta

2015-07-01

Topological Majorana fermion (MF) quasiparticles have been recently suggested to exist in semiconductor quantum wires with proximity induced superconductivity and a Zeeman field. Although the experimentally observed zero bias tunneling peak and a fractional ac-Josephson effect can be taken as necessary signatures of MFs, neither of them constitutes a sufficient "smoking gun" experiment. Since one pair of Majorana fermions share a single conventional fermionic degree of freedom, MFs are in a sense fractionalized excitations. Based on this fractionalization we propose a tunneling experiment that furnishes a nearly unique signature of end state MFs in semiconductor quantum wires. In particular, we show that a "teleportation"-like experiment is not enough to distinguish MFs from pairs of MFs, which are equivalent to conventional zero energy states, but our proposed tunneling experiment, in principle, can make this distinction.

Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism.

PubMed

Hamada, Yojiro; Kanematsu, Yusuke; Tachikawa, Masanori

2016-10-11

The sialyltransferase is an enzyme that transfers the sialic acid moiety from cytidine 5'-monophospho-N-acetyl-neuraminic acid (CMP-NeuAc) to the terminal position of glycans. To elucidate the catalytic mechanism of sialyltransferase, we explored the potential energy surface along the sialic acid transfer reaction coordinates by the hybrid quantum mechanics/molecular mechanics method on the basis of the crystal structure of sialyltransferase CstII. Our calculation demonstrated that CstII employed an S N 1-like reaction mechanism via the formation of a short-lived oxocarbenium ion intermediate. The computational barrier height was 19.5 kcal/mol, which reasonably corresponded with the experimental reaction rate. We also found that two tyrosine residues (Tyr156 and Tyr162) played a vital role in stabilizing the intermediate and the transition states by quantum mechanical interaction with CMP.

Quantum efficiencies exceeding unity in amorphous silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vanmaekelbergh, D.; Lagemaat, J. van de; Schropp, R.E.I.

1994-12-31

The experimental observation of internal quantum efficiencies above unity in crystalline silicon solar cells has brought up the question whether the generation of multiple electron/hole pairs has to be taken into consideration also in solar cells based on direct gap amorphous semiconductors. To study photogenerated carrier dynamics, the authors have applied Intensity Modulated Photocurrent Spectroscopy (IMPS) to hydrogenated amorphous silicon p-i-n solar cells. In the reverse voltage bias region at low illumination intensities it has been observed that the low frequency limit of the AC quantum yield Y increases significantly above unit with decreasing light intensity, indicating that more thanmore » one electron per photon is detected in the external circuit. This phenomenon can be explained by considering trapping and thermal emission of photogenerated carriers at intragap atmospheric dangling bond defect centers.« less

Quantum Transport near the Charge Neutrality Point in Inverted Type-II InAs/GaSb Field-Effect Transistors

NASA Astrophysics Data System (ADS)

Pan, W.; Klem, J. F.; Kim, J. K.; Thalakulam, M.; Cich, M. J.; Lyo, S. K.

2013-03-01

We present here our recent quantum transport results around the charge neutrality point (CNP) in a type-II InAs/GaSb field-effect transistor. At zero magnetic field, a conductance minimum close to 4e2 / h develops at the CNP and it follows semi-logarithmic temperature dependence. In quantized magnetic (B) fields and at low temperatures, well developed integer quantum Hall states are observed in the electron as well as hole regimes. Electron transport shows noisy behavior around the CNP at extremely high B fields. When the diagonal conductivity σxx is plotted against the Hall conductivity σxy, a conductivity circle law is discovered, suggesting a chaotic quantum transport behavior. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Quantum ratchet in two-dimensional semiconductors with Rashba spin-orbit interaction

PubMed Central

Ang, Yee Sin; Ma, Zhongshui; Zhang, Chao

2015-01-01

Ratchet is a device that produces direct current of particles when driven by an unbiased force. We demonstrate a simple scattering quantum ratchet based on an asymmetrical quantum tunneling effect in two-dimensional electron gas with Rashba spin-orbit interaction (R2DEG). We consider the tunneling of electrons across a square potential barrier sandwiched by interface scattering potentials of unequal strengths on its either sides. It is found that while the intra-spin tunneling probabilities remain unchanged, the inter-spin-subband tunneling probabilities of electrons crossing the barrier in one direction is unequal to that of the opposite direction. Hence, when the system is driven by an unbiased periodic force, a directional flow of electron current is generated. The scattering quantum ratchet in R2DEG is conceptually simple and is capable of converting a.c. driving force into a rectified current without the need of additional symmetry breaking mechanism or external magnetic field. PMID:25598490

Self-homodyne measurement of a dynamic Mollow triplet in the solid state

NASA Astrophysics Data System (ADS)

Fischer, Kevin A.; Müller, Kai; Rundquist, Armand; Sarmiento, Tomas; Piggott, Alexander Y.; Kelaita, Yousif; Dory, Constantin; Lagoudakis, Konstantinos G.; Vučković, Jelena

2016-03-01

The study of the light-matter interaction at the quantum scale has been enabled by the cavity quantum electrodynamics (CQED) architecture, in which a quantum two-level system strongly couples to a single cavity mode. Originally implemented with atoms in optical cavities, CQED effects are now also observed with artificial atoms in solid-state environments. Such realizations of these systems exhibit fast dynamics, making them attractive candidates for devices including modulators and sources in high-throughput communications. However, these systems possess large photon out-coupling rates that obscure any quantum behaviour at large excitation powers. Here, we have used a self-homodyning interferometric technique that fully employs the complex mode structure of our nanofabricated cavity to observe a quantum phenomenon known as the dynamic Mollow triplet. We expect this interference to facilitate the development of arbitrary on-chip quantum state generators, thereby strongly influencing quantum lithography, metrology and imaging.

Determination of anisotropic dipole moments in self-assembled quantum dots using Rabi oscillations

NASA Astrophysics Data System (ADS)

Muller, Andreas; Wang, Qu-Quan; Bianucci, Pablo; Xue, Qi-Kun; Shih, Chih-Kang

2004-03-01

By investigating the polarization-dependent Rabi oscillations using photoluminescence spectroscopy, we determined the respective transition dipole moments of the two excited excitonic states |Ex> and |Ey> of a single self-assembled quantum dot that are nondegenerate due to shape anisotropy. We find that the ratio of the two dipole moments is close to the physical elongation ratio of the quantum dot. We also measured the ground state radiative lifetimes of several quantum dots. The dipole moments calculated from the latter are in reasonable agreement with the dipole moments determined from the periodicity of the Rabi oscillations.

Nuclear Spin Nanomagnet in an Optically Excited Quantum Dot

NASA Astrophysics Data System (ADS)

Korenev, V. L.

2007-12-01

Linearly polarized light tuned slightly below the optical transition of the negatively charged exciton (trion) in a single quantum dot causes the spontaneous nuclear spin polarization (self-polarization) at a level close to 100%. The effective magnetic field of spin-polarized nuclei shifts the optical transition energy close to resonance with photon energy. The resonantly enhanced Overhauser effect sustains the stability of the nuclear self-polarization even in the absence of spin polarization of the quantum dot electron. As a result the optically selected single quantum dot represents a tiny magnet with the ferromagnetic ordering of nuclear spins—the nuclear spin nanomagnet.

Nuclear spin nanomagnet in an optically excited quantum dot.

PubMed

Korenev, V L

2007-12-21

Linearly polarized light tuned slightly below the optical transition of the negatively charged exciton (trion) in a single quantum dot causes the spontaneous nuclear spin polarization (self-polarization) at a level close to 100%. The effective magnetic field of spin-polarized nuclei shifts the optical transition energy close to resonance with photon energy. The resonantly enhanced Overhauser effect sustains the stability of the nuclear self-polarization even in the absence of spin polarization of the quantum dot electron. As a result the optically selected single quantum dot represents a tiny magnet with the ferromagnetic ordering of nuclear spins-the nuclear spin nanomagnet.

Self-organized MBE growth of II VI epilayers on patterned GaSb substrates

NASA Astrophysics Data System (ADS)

Wissmann, H.; Tran Anh, T.; Rogaschewski, S.; von Ortenberg, M.

1999-05-01

We report on the self-organized MBE growth of II-VI epilayers on patterned and unpatterned GaSb substrates resulting in quantum wires and quantum wells, respectively. The HgSe : Fe quantum wires were grown on (0 0 1)GaSb substrates with a buffer of lattice-matched ZnTe 1- xSe x. Due to the anisotropic growth of HgSe on the A-oriented stripes roof-like overgrowth with a definite ridge was obtained. Additional Fe doping in the direct vicinity of the ridge results in a highly conductive quantum wire.

Entanglement enhances cooling in microscopic quantum refrigerators.

PubMed

Brunner, Nicolas; Huber, Marcus; Linden, Noah; Popescu, Sandu; Silva, Ralph; Skrzypczyk, Paul

2014-03-01

Small self-contained quantum thermal machines function without external source of work or control but using only incoherent interactions with thermal baths. Here we investigate the role of entanglement in a small self-contained quantum refrigerator. We first show that entanglement is detrimental as far as efficiency is concerned-fridges operating at efficiencies close to the Carnot limit do not feature any entanglement. Moving away from the Carnot regime, we show that entanglement can enhance cooling and energy transport. Hence, a truly quantum refrigerator can outperform a classical one. Furthermore, the amount of entanglement alone quantifies the enhancement in cooling.

Comment on “Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma” [Phys. Plasmas 20, 072703 (2013)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habibi, M., E-mail: habibi.physics@gmail.com; Ghamari, F.

2014-06-15

Patil and Takale in their recent article [Phys. Plasmas 20, 072703 (2013)], by evaluating the quantum dielectric response in thermal quantum plasma, have modeled the relativistic self-focusing of Gaussian laser beam in a plasma. We have found that there are some important shortcomings and fundamental mistakes in Patil and Takale [Phys. Plasmas 20, 072703 (2013)] that we give a brief description about them and refer readers to important misconception about the use of the Fermi temperature in quantum plasmas, appearing in Patil and Takale [Phys. Plasmas 20, 072703 (2013)].

Preparation of fluoride substituted apatite cements as the building blocks for tooth enamel restoration

NASA Astrophysics Data System (ADS)

Wei, Jie; Wang, Jiecheng; Liu, Xiaochen; Ma, Jian; Liu, Changsheng; Fang, Jing; Wei, Shicheng

2011-06-01

Fluoride substituted apatite cement (fs-AC) was synthesized by using the cement powders of tetracalcium phosphate (TTCP) and sodium fluoride (NaF), and the cement powders were mixed with diluted phosphoric acid (H 3PO 4) as cement liquid to form fs-AC paste. The fs-AC paste could be directly filled into the carious cavities to repair damaged dental enamel. The results indicated that the fs-AC paste was changed into fluorapatite crystals with the atom molar ratio for calcium to phosphorus of 1.66 and the F ion amount of 3 wt% after self-hardening for 2 days. The solubility of fs-AC in Tris-HCl solution (pH 6) was slightly lower than hydroxyapatite cement (HAC) that was similar to the apatite in enamel, indicating the fs-AC was much insensitive to the weakly acidic solution than the apatite in enamel. The fs-AC was tightly combined with the enamel surface because of the chemical reaction between the fs-AC and the apatite in enamel after the caries cavities was filled with fs-AC. The extracts of fs-AC caused no cytotoxicity on L929 cells, which satisfied the relevant criterion on dental biomaterials, revealing good cytocompatibility. The fs-AC had potential prospect for the reconstitution of carious lesion of dental enamel.

Generation of heralded entanglement between distant quantum dot hole spins

NASA Astrophysics Data System (ADS)

Delteil, Aymeric

Entanglement plays a central role in fundamental tests of quantum mechanics as well as in the burgeoning field of quantum information processing. Particularly in the context of quantum networks and communication, some of the major challenges are the efficient generation of entanglement between stationary (spin) and propagating (photon) qubits, the transfer of information from flying to stationary qubits, and the efficient generation of entanglement between distant stationary (spin) qubits. In this talk, I will present such experimental implementations achieved in our team with semiconductor self-assembled quantum dots.Not only are self-assembled quantum dots good single-photon emitters, but they can host an electron or a hole whose spin serves as a quantum memory, and then present spin-dependent optical selection rules leading to an efficient spin-photon quantum interface. Moreover InGaAs quantum dots grown on GaAs substrate can profit from the maturity of III-V semiconductor technology and can be embedded in semiconductor structures like photonic cavities and Schottky diodes.I will report on the realization of heralded quantum entanglement between two semiconductor quantum dot hole spins separated by more than five meters. The entanglement generation scheme relies on single photon interference of Raman scattered light from both dots. A single photon detection projects the system into a maximally entangled state. We developed a delayed two-photon interference scheme that allows for efficient verification of quantum correlations. Moreover the efficient spin-photon interface provided by self-assembled quantum dots allows us to reach an unprecedented rate of 2300 entangled spin pairs per second, which represents an improvement of four orders of magnitude as compared to prior experiments carried out in other systems.Our results extend previous demonstrations in single trapped ions or neutral atoms, in atom ensembles and nitrogen vacancy centers to the domain of artificial atoms in semiconductor nanostructures that allow for on-chip integration of electronic and photonic elements. This work lays the groundwork for the realization of quantum repeaters and quantum networks on a chip.

Novel Quantum Dot Gate FETs and Nonvolatile Memories Using Lattice-Matched II-VI Gate Insulators

NASA Astrophysics Data System (ADS)

Jain, F. C.; Suarez, E.; Gogna, M.; Alamoody, F.; Butkiewicus, D.; Hohner, R.; Liaskas, T.; Karmakar, S.; Chan, P.-Y.; Miller, B.; Chandy, J.; Heller, E.

2009-08-01

This paper presents the successful use of ZnS/ZnMgS and other II-VI layers (lattice-matched or pseudomorphic) as high- k gate dielectrics in the fabrication of quantum dot (QD) gate Si field-effect transistors (FETs) and nonvolatile memory structures. Quantum dot gate FETs and nonvolatile memories have been fabricated in two basic configurations: (1) monodispersed cladded Ge nanocrystals (e.g., GeO x -cladded-Ge quantum dots) site-specifically self-assembled over the lattice-matched ZnMgS gate insulator in the channel region, and (2) ZnTe-ZnMgTe quantum dots formed by self-organization, using metalorganic chemical vapor-phase deposition (MOCVD), on ZnS-ZnMgS gate insulator layers grown epitaxially on Si substrates. Self-assembled GeO x -cladded Ge QD gate FETs, exhibiting three-state behavior, are also described. Preliminary results on InGaAs-on-InP FETs, using ZnMgSeTe/ZnSe gate insulator layers, are presented.

Ag incorporated Mn3O4/AC nanocomposite based supercapacitor devices with high energy density and power density.

PubMed

Nagamuthu, S; Vijayakumar, S; Muralidharan, G

2014-12-14

Silver incorporated Mn3O4/amorphous carbon (AC) nanocomposites are synthesized by a green chemistry method. X-ray diffraction studies revealed the structural changes in Mn3O4/AC nanocomposites attributable to the addition of silver. Cyclic voltammetry, charge-discharge and ac-impedance studies indicated that the Ag-Mn3O4/AC-5 electrode was the most suitable candidate for supercapacitor applications. From the galvanostatic charge-discharge studies, a higher specific capacitance of 981 F g(-1) at a specific current of 1 A g(-1) was obtained. An Ag-Mn3O4/AC-symmetric supercapacitor consisting of an Ag-incorporated Mn3O4/AC composite as an anode as well as a cathode, and an asymmetric supercapacitor consisting of an Ag-incorporated Mn3O4/AC composite as a cathode and an activated carbon as an anode have been fabricated. The symmetric device exhibits a specific cell capacitance of 72 F g(-1) at a specific current of 1 A g(-1) whereas the asymmetric device delivers a specific cell capacitance of 180 F g(-1) at a high current rate of 10 A g(-1). The asymmetric supercapacitor device yields a high energy density of 81 W h kg(-1). This is higher than that of lead acid batteries and comparable with that of nickel hydride batteries.

One- and two-photon absorption spectra of the yellow fluorescent protein citrine: effects of intramolecular electron-vibrational coupling and intermolecular interactions

NASA Astrophysics Data System (ADS)

Chen, Fasheng; Zhao, Xinyi; Liang, WanZhen

2018-04-01

Both the vibrationally resolved and statistically averaged one-photon absorption (OPA) and two-photon absorption (TPA) spectra of the anionic form of chromophore (AC) in its micro-environment of yellow fluorescent protein (YFP) Citrine have been calculated. The result comparison has been made with those of the AC model compounds in vacuo and methanol solution, which allows us to allocate the individual contribution of the intramolecular electron-vibrational coupling, the electrostatic π-stacking interaction between Tyr203 and AC, and the interaction between AC and its micro-environment to the spectra. The results reveal that the non-Condon vibronic coupling effect is responsible for the blue shift of TPA absorption maximum compared with its OPA counterpart corresponding to S0 → S1, and that the π-stacking interaction between Tyr203 and AC alters the relative intensities of TPA maxima, which further enhances the higher-energy vibronic peaks and weakens the lowest-energy peak. The statically averaged OPA and TPA spectra calculated by quantum mechanics/molecular mechanics (QM/MM) methods based on Born-Oppenheimer molecular dynamics simulation largely deviate the experimental spectral lineshapes, which further verifies the significant contribution of non-Condon vibronic coupling effect on the spectra. The interaction of individual amino acid residue or water close to AC+Tyr203 has different effects on the spectra, which may increase/decrease the excitation energy depending on its position and electronic property.

Consistent description of quantum Brownian motors operating at strong friction.

PubMed

Machura, L; Kostur, M; Hänggi, P; Talkner, P; Luczka, J

2004-09-01

A quantum Smoluchowski equation is put forward that consistently describes thermal quantum states. In particular, it notably does not induce a violation of the second law of thermodynamics. This so modified kinetic equation is applied to study analytically directed quantum transport at strong friction in arbitrarily shaped ratchet potentials that are driven by nonthermal two-state noise. Depending on the mutual interplay of quantum tunneling and quantum reflection these quantum corrections can induce both, a sizable enhancement or a suppression of transport. Moreover, the threshold for current reversals becomes markedly shifted due to such quantum fluctuations.

Apoptosis and Self-Destruct: A Contribution to Autonomic Agents?

NASA Technical Reports Server (NTRS)

Sterritt, Roy; Hinchey, Mike

2004-01-01

Autonomic Computing (AC), a self-managing systems initiative based on the biological metaphor of the autonomic nervous system, is increasingly gaining momentum as the way forward in designing reliable systems. Agent technologies have been identified as a key enabler for engineering autonomicity in systems, both in terms of retrofitting autonomicity into legacy systems and designing new systems. The AC initiative provides an opportunity to consider other biological systems and principles in seeking new design strategies. This paper reports on one such investigation; utilizing the apoptosis metaphor of biological systems to provide a dynamic health indicator signal between autonomic agents.

Topological order and memory time in marginally-self-correcting quantum memory

NASA Astrophysics Data System (ADS)

Siva, Karthik; Yoshida, Beni

2017-03-01

We examine two proposals for marginally-self-correcting quantum memory: the cubic code by Haah and the welded code by Michnicki. In particular, we prove explicitly that they are absent of topological order above zero temperature, as their Gibbs ensembles can be prepared via a short-depth quantum circuit from classical ensembles. Our proof technique naturally gives rise to the notion of free energy associated with excitations. Further, we develop a framework for an ergodic decomposition of Davies generators in CSS codes which enables formal reduction to simpler classical memory problems. We then show that memory time in the welded code is doubly exponential in inverse temperature via the Peierls argument. These results introduce further connections between thermal topological order and self-correction from the viewpoint of free energy and quantum circuit depth.

Squeezing Enhances Quantum Synchronization.

PubMed

Sonar, Sameer; Hajdušek, Michal; Mukherjee, Manas; Fazio, Rosario; Vedral, Vlatko; Vinjanampathy, Sai; Kwek, Leong-Chuan

2018-04-20

It is desirable to observe synchronization of quantum systems in the quantum regime, defined by the low number of excitations and a highly nonclassical steady state of the self-sustained oscillator. Several existing proposals of observing synchronization in the quantum regime suffer from the fact that the noise statistics overwhelm synchronization in this regime. Here, we resolve this issue by driving a self-sustained oscillator with a squeezing Hamiltonian instead of a harmonic drive and analyze this system in the classical and quantum regime. We demonstrate that strong entrainment is possible for small values of squeezing, and in this regime, the states are nonclassical. Furthermore, we show that the quality of synchronization measured by the FWHM of the power spectrum is enhanced with squeezing.

Squeezing Enhances Quantum Synchronization

NASA Astrophysics Data System (ADS)

Sonar, Sameer; Hajdušek, Michal; Mukherjee, Manas; Fazio, Rosario; Vedral, Vlatko; Vinjanampathy, Sai; Kwek, Leong-Chuan

2018-04-01

It is desirable to observe synchronization of quantum systems in the quantum regime, defined by the low number of excitations and a highly nonclassical steady state of the self-sustained oscillator. Several existing proposals of observing synchronization in the quantum regime suffer from the fact that the noise statistics overwhelm synchronization in this regime. Here, we resolve this issue by driving a self-sustained oscillator with a squeezing Hamiltonian instead of a harmonic drive and analyze this system in the classical and quantum regime. We demonstrate that strong entrainment is possible for small values of squeezing, and in this regime, the states are nonclassical. Furthermore, we show that the quality of synchronization measured by the FWHM of the power spectrum is enhanced with squeezing.

Investigation of non-stationary self-focusing of intense laser pulse in cold quantum plasma using ramp density profile

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habibi, M.; Ghamari, F.

2012-11-15

The authors have investigated the non-stationary self-focusing of Gaussian laser pulse in cold quantum plasma. In case of high dense plasma, the nonlinearity in the dielectric constant is mainly due to relativistic high intense interactions and quantum effects. In this paper, we have introduced a ramp density profile for plasma and presented graphically the behavior of spot size oscillations of pulse at rear and front portions of the pulse. It is observed that the ramp density profile and quantum effects play a vital role in stronger and better focusing at the rear of the pulse than at the front inmore » cold quantum plasmas.« less

On the role of self-adjointness in the continuum formulation of topological quantum phases

NASA Astrophysics Data System (ADS)

Tanhayi Ahari, Mostafa; Ortiz, Gerardo; Seradjeh, Babak

2016-11-01

Topological quantum phases of matter are characterized by an intimate relationship between the Hamiltonian dynamics away from the edges and the appearance of bound states localized at the edges of the system. Elucidating this correspondence in the continuum formulation of topological phases, even in the simplest case of a one-dimensional system, touches upon fundamental concepts and methods in quantum mechanics that are not commonly discussed in textbooks, in particular the self-adjoint extensions of a Hermitian operator. We show how such topological bound states can be derived in a prototypical one-dimensional system. Along the way, we provide a pedagogical exposition of the self-adjoint extension method as well as the role of symmetries in correctly formulating the continuum, field-theory description of topological matter with boundaries. Moreover, we show that self-adjoint extensions can be characterized generally in terms of a conserved local current associated with the self-adjoint operator.

Method of driving liquid flow at or near the free surface using magnetic microparticles

DOEpatents

Snezhko, Oleksiy [Woodridge, IL; Aronson, Igor [Darien, IL; Kwok, Wai-Kwong [Evanston, IL; Belkin, Maxim V [Woodridge, IL

2011-10-11

The present invention provides a method of driving liquid flow at or near a free surface using self-assembled structures composed of magnetic particles subjected to an external AC magnetic field. A plurality of magnetic particles are supported at or near a free surface of liquid by surface tension or buoyancy force. An AC magnetic field traverses the free surface and dipole-dipole interaction between particles produces in self-assembled snake structures which oscillate at the frequency of the traverse AC magnetic field. The snake structures independently move across the free surface and may merge with other snake structures or break up and coalesce into additional snake structures experiencing independent movement across the liquid surface. During this process, the snake structures produce asymmetric flow vortices across substantially the entirety of the free surface, effectuating liquid flow across the free surface.

Theoretical modeling of electronic transport in molecular devices

NASA Astrophysics Data System (ADS)

Piccinin, Simone

In this thesis a novel approach for simulating electronic transport in nanoscale structures is introduced. We consider an open quantum system (the electrons of structure) accelerated by an external electromotive force and dissipating energy through inelastic scattering with a heat bath (phonons) acting on the electrons. This method can be regarded as a quantum-mechanical extension of the semi-classical Boltzmann transport equation. We use periodic boundary conditions and employ Density Functional Theory to recast the many-particle problem in an effective single-particle mean-field problem. By explicitly treating the dissipation in the electrodes, the behavior of the potential is an outcome of our method, at variance with the scattering approaches based on the Landauer formalism. We study the self-consistent steady-state solution, analyzing the out-of-equilibrium electron distribution, the electrical characteristics, the behavior of the self-consistent potential and the density of states of the system. We apply the method to the study of electronic transport in several molecular devices, consisting of small organic molecules or atomic wires sandwiched between gold surfaces. For gold wires we recover the experimental evidence that transport in short wires is ballistic, independent of the length of the wire and with conductance of one quantum. In benzene-1,4-dithiol we find that the delocalization of the frontier orbitals of the molecule is responsible for the high value of conductance and that, by inserting methylene groups to decouple the sulfur atoms from the carbon ring, the current is reduced, in agreement with the experimental measurements. We study the effect a geometrical distortion in a molecular device, namely the relative rotation of the carbon rings in a biphenyl-4,4'-dithiol molecule. We find that the reduced coupling between pi orbitals of the rings induced by the rotation leads to a reduction of the conductance and that this behavior is captured by a simple two level model. Finally the transport properties of alkanethiol monolayers are analyzed by means of the local density of states at the Fermi energy: we find an exponential dependence of the current on the length of the chain, in quantitative agreement with the corresponding experiments.

Influence of polarization and self-polarization charges on impurity binding energy in spherical quantum dot with parabolic confinement

NASA Astrophysics Data System (ADS)

Sarkar, Supratik; Sarkar, Samrat; Bose, Chayanika

2018-07-01

We present a general formulation of the ground state binding energy of a shallow hydrogenic impurity in spherical quantum dot with parabolic confinement, considering the effects of polarization and self energy. The variational approach within the effective mass approximation is employed here. The binding energy of an on-center impurity is computed for a GaAs/AlxGa1-xAs quantum dot as a function of the dot size with the dot barrier as parameter. The influence of polarization and self energy are also treated separately. Results indicate that the binding energy increases due to the presence of polarization charge, while decreases due to the self energy of the carrier. An overall enhancement in impurity binding energy, especially for small dots is noted.

Reactivity of a series of isostructural cobalt pincer complexes with CO2, CO, and H(+).

PubMed

Shaffer, David W; Johnson, Samantha I; Rheingold, Arnold L; Ziller, Joseph W; Goddard, William A; Nielsen, Robert J; Yang, Jenny Y

2014-12-15

The preparation and characterization of a series of isostructural cobalt complexes [Co(t-Bu)2P(E)Py(E)P(t-Bu)2(CH3CN)2][BF4]2 (Py = pyridine, E = CH2, NH, O, and X = BF4 (1a-c)) and the corresponding one-electron reduced analogues [Co(t-Bu)2P(E)Py(E)P(t-Bu)2(CH3CN)2][BF4]2 (2a-c) are reported. The reactivity of the reduced cobalt complexes with CO2, CO, and H(+) to generate intermediates in a CO2 to CO and H2O reduction cycle are described. The reduction of 1a-c and subsequent reactivity with CO2 was investigated by cyclic voltammetry, and for 1a also by infrared spectroelectrochemistry. The corresponding CO complexes of (2a-c) were prepared, and the Co-CO bond strengths were characterized by IR spectroscopy. Quantum mechanical methods (B3LYP-d3 with solvation) were used to characterize the competitive reactivity of the reduced cobalt centers with H(+) versus CO2. By investigating a series of isostructural complexes, correlations in reactivity with ligand electron withdrawing effects are made.

Heat-machine control by quantum-state preparation: from quantum engines to refrigerators.

PubMed

Gelbwaser-Klimovsky, D; Kurizki, G

2014-08-01

We explore the dependence of the performance bounds of heat engines and refrigerators on the initial quantum state and the subsequent evolution of their piston, modeled by a quantized harmonic oscillator. Our goal is to provide a fully quantized treatment of self-contained (autonomous) heat machines, as opposed to their prevailing semiclassical description that consists of a quantum system alternately coupled to a hot or a cold heat bath and parametrically driven by a classical time-dependent piston or field. Here, by contrast, there is no external time-dependent driving. Instead, the evolution is caused by the stationary simultaneous interaction of two heat baths (having distinct spectra and temperatures) with a single two-level system that is in turn coupled to the quantum piston. The fully quantized treatment we put forward allows us to investigate work extraction and refrigeration by the tools of quantum-optical amplifier and dissipation theory, particularly, by the analysis of amplified or dissipated phase-plane quasiprobability distributions. Our main insight is that quantum states may be thermodynamic resources and can provide a powerful handle, or control, on the efficiency of the heat machine. In particular, a piston initialized in a coherent state can cause the engine to produce work at an efficiency above the Carnot bound in the linear amplification regime. In the refrigeration regime, the coefficient of performance can transgress the Carnot bound if the piston is initialized in a Fock state. The piston may be realized by a vibrational mode, as in nanomechanical setups, or an electromagnetic field mode, as in cavity-based scenarios.

Heat-machine control by quantum-state preparation: From quantum engines to refrigerators

NASA Astrophysics Data System (ADS)

Gelbwaser-Klimovsky, D.; Kurizki, G.

2014-08-01

We explore the dependence of the performance bounds of heat engines and refrigerators on the initial quantum state and the subsequent evolution of their piston, modeled by a quantized harmonic oscillator. Our goal is to provide a fully quantized treatment of self-contained (autonomous) heat machines, as opposed to their prevailing semiclassical description that consists of a quantum system alternately coupled to a hot or a cold heat bath and parametrically driven by a classical time-dependent piston or field. Here, by contrast, there is no external time-dependent driving. Instead, the evolution is caused by the stationary simultaneous interaction of two heat baths (having distinct spectra and temperatures) with a single two-level system that is in turn coupled to the quantum piston. The fully quantized treatment we put forward allows us to investigate work extraction and refrigeration by the tools of quantum-optical amplifier and dissipation theory, particularly, by the analysis of amplified or dissipated phase-plane quasiprobability distributions. Our main insight is that quantum states may be thermodynamic resources and can provide a powerful handle, or control, on the efficiency of the heat machine. In particular, a piston initialized in a coherent state can cause the engine to produce work at an efficiency above the Carnot bound in the linear amplification regime. In the refrigeration regime, the coefficient of performance can transgress the Carnot bound if the piston is initialized in a Fock state. The piston may be realized by a vibrational mode, as in nanomechanical setups, or an electromagnetic field mode, as in cavity-based scenarios.

Simulations of defect spin qubits in piezoelectric semiconductors

NASA Astrophysics Data System (ADS)

Seo, Hosung

In recent years, remarkable advances have been reported in the development of defect spin qubits in semiconductors for solid-state quantum information science and quantum metrology. Promising spin qubits include the nitrogen-vacancy center in diamond, dopants in silicon, and the silicon vacancy and divacancy spins in silicon carbide. In this talk, I will highlight some of our recent efforts devoted to defect spin qubits in piezoelectric wide-gap semiconductors for potential applications in mechanical hybrid quantum systems. In particular, I will describe our recent combined theoretical and experimental study on remarkably robust quantum coherence found in the divancancy qubits in silicon carbide. We used a quantum bath model combined with a cluster expansion method to identify the microscopic mechanisms behind the unusually long coherence times of the divacancy spins in SiC. Our study indicates that developing spin qubits in complex crystals with multiple types of atom is a promising route to realize strongly coherent hybrid quantum systems. I will also discuss progress and challenges in computational design of new spin defects for use as qubits in piezoelectric crystals such as AlN and SiC, including a new defect design concept using large metal ion - vacancy complexes. Our first principles calculations include DFT computations using recently developed self-consistent hybrid density functional theory and large-scale many-body GW theory. This work was supported by the National Science Foundation (NSF) through the University of Chicago MRSEC under Award Number DMR-1420709.

Simulation of Mirror Electron Microscopy Caustic Images in Three-Dimensions

NASA Astrophysics Data System (ADS)

Kennedy, S. M.; Zheng, C. X.; Jesson, D. E.

A full, three-dimensional (3D) ray tracing approach is developed to simulate the caustics visible in mirror electron microscopy (MEM). The method reproduces MEM image contrast resulting from 3D surface relief. To illustrate the potential of the simulation methods, we study the evolution of crater contrast associated with a movie of GaAs structures generated by the droplet epitaxy technique. Specifically, we simulate the image contrast resulting from both a precursor stage and the final crater morphology which is consistent with an inverted pyramid consisting of (111) facet walls. The method therefore facilities the study of how self-assembled quantum structures evolve with time and, in particular, the development of anisotropic features including faceting.

A Facile Route for Patterned Growth of Metal-Insulator Carbon Lateral Junction through One-Pot Synthesis.

PubMed

Park, Beomjin; Park, Jaesung; Son, Jin Gyeong; Kim, Yong-Jin; Yu, Seong Uk; Park, Hyo Ju; Chae, Dong-Hun; Byun, Jinseok; Jeon, Gumhye; Huh, Sung; Lee, Seoung-Ki; Mishchenko, Artem; Hyun, Seung; Lee, Tae Geol; Han, Sang Woo; Ahn, Jong-Hyun; Lee, Zonghoon; Hwang, Chanyong; Novoselov, Konstantin S; Kim, Kwang S; Hong, Byung Hee; Kim, Jin Kon

2015-08-25

Precise graphene patterning is of critical importance for tailor-made and sophisticated two-dimensional nanoelectronic and optical devices. However, graphene-based heterostructures have been grown by delicate multistep chemical vapor deposition methods, limiting preparation of versatile heterostructures. Here, we report one-pot synthesis of graphene/amorphous carbon (a-C) heterostructures from a solid source of polystyrene via selective photo-cross-linking process. Graphene is successfully grown from neat polystyrene regions, while patterned cross-linked polystyrene regions turn into a-C because of a large difference in their thermal stability. Since the electrical resistance of a-C is at least 2 orders of magnitude higher than that for graphene, the charge transport in graphene/a-C heterostructure occurs through the graphene region. Measurement of the quantum Hall effect in graphene/a-C lateral heterostructures clearly confirms the reliable quality of graphene and well-defined graphene/a-C interface. The direct synthesis of patterned graphene from polymer pattern could be further exploited to prepare versatile heterostructures.

Definitive determination of the transverse Hamiltonian parameters in the single molecule magnet Mn_12-Ac

NASA Astrophysics Data System (ADS)

Edwards, Rachel S.; Hill, Stephen; North, J. Micah; Dalal, Naresh; Jones, Shaela; Maccagnano, Sara

2003-03-01

We present high frequency high field electron paramagnetic resonance (EPR) measurements on the single molecule magnet Mn_12-Ac. Using a split coil magnet and highly sensitive resonant cavity techniques we are able to perform an angle dependent study of the single crystal EPR with the field applied in the hard plane, and hence unambiguously determine the transverse Hamiltonian parameters to fourth order. A variation in the line-shape of the resonances with angle supports the recent proposal of a ligand disorder in this material causing local quadratic anisotropy, and is used to determine the magnitude of the second order transverse term. This could have important implications for describing magnetic quantum tunneling in Mn_12-Ac. S. Hill, J.A.A.J. Perenboom, N.S. Dalal, T. Hathaway, T. Stalcup and J.S. Brooks, Phys. Rev. Lett. 80, 2453 (1998). A. Cornia, R. Sessoli, L. Sorace, D. Gatteschi, A.L. Barra and C. Daiguebonne, cond-mat/0112112.

Interplay of Collective Excitations in Quantum Well Intersubband Resonances

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Ning, C. Z.

2003-01-01

Intersubband resonances in a semiconductor quantum well (QW) display some of the most fascinating features involving various collective excitations such as Fermi-edge singularity (FES) and intersubband plasmon (ISP). Using a density matrix approach, we treated many-body effects such as depolarization, vertex correction, and self-energy consistently for a two-subband system. We found a systematic change in resonance spectra from FES-dominated to ISP-dominated features, as QW- width or electron density is varied. Such an interplay between FES and ISP significantly changes both line shape and peak position of the absorption spectrum. In particular, we found that a cancellation of FES and ISP undresses the resonant responses and recovers the single-particle features of absorption for semiconductors with a strong nonparabolicity such as InAs, leading to a dramatic broadening of the absorption spectrum.

Phase-space methods for the spin dynamics in condensed matter systems

PubMed Central

Hurst, Jérôme; Manfredi, Giovanni

2017-01-01

Using the phase-space formulation of quantum mechanics, we derive a four-component Wigner equation for a system composed of spin- fermions (typically, electrons) including the Zeeman effect and the spin–orbit coupling. This Wigner equation is coupled to the appropriate Maxwell equations to form a self-consistent mean-field model. A set of semiclassical Vlasov equations with spin effects is obtained by expanding the full quantum model to first order in the Planck constant. The corresponding hydrodynamic equations are derived by taking velocity moments of the phase-space distribution function. A simple closure relation is proposed to obtain a closed set of hydrodynamic equations. This article is part of the themed issue ‘Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces’. PMID:28320903

Perturbation theory of a superconducting 0 - π impurity quantum phase transition.

PubMed

Žonda, M; Pokorný, V; Janiš, V; Novotný, T

2015-03-06

A single-level quantum dot with Coulomb repulsion attached to two superconducting leads is studied via the perturbation expansion in the interaction strength. We use the Nambu formalism and the standard many-body diagrammatic representation of the impurity Green functions to formulate the Matsubara self-consistent perturbation expansion. We show that at zero temperature second order of the expansion in its spin-symmetric version yields a nearly perfect agreement with the numerically exact calculations for the position of the 0 - π phase boundary at which the Andreev bound states reach the Fermi energy as well as for the values of single-particle quantities in the 0-phase. We present results for phase diagrams, level occupation, induced local superconducting gap, Josephson current, and energy of the Andreev bound states with the precision surpassing any (semi)analytical approaches employed thus far.

Ghirardi-Rimini-Weber model with massive flashes

NASA Astrophysics Data System (ADS)

Tilloy, Antoine

2018-01-01

I introduce a modification of the Ghirardi-Rimini-Weber (GRW) model in which the flashes (or space-time collapse events) source a classical gravitational field. The resulting semiclassical theory of Newtonian gravity preserves the statistical interpretation of quantum states of matter in contrast with mean field approaches. It can be seen as a discrete version of recent proposals of consistent hybrid quantum classical theories. The model is in agreement with known experimental data and introduces new falsifiable predictions: (1) single particles do not self-interact, (2) the 1 /r gravitational potential of Newtonian gravity is cut off at short (≲10-7 m ) distances, and (3) gravity makes spatial superpositions decohere at a rate inversely proportional to that coming from the vanilla GRW model. Together, the last two predictions make the model experimentally falsifiable for all values of its parameters.

Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules

NASA Astrophysics Data System (ADS)

Zhang, Linda Yu; Friesner, Richard A.; Murphy, Robert B.

1997-07-01

Using a diabatic state formalism and pseudospectral numerical methods, we have developed an efficient ab initio quantum chemical approach to the calculation of electron transfer matrix elements for large molecules. The theory is developed at the Hartree-Fock level and validated by comparison with results in the literature for small systems. As an example of the power of the method, we calculate the electronic coupling between two bacteriochlorophyll molecules in various intermolecular geometries. Only a single self-consistent field (SCF) calculation on each of the monomers is needed to generate coupling matrix elements for all of the molecular pairs. The largest calculations performed, utilizing 1778 basis functions, required ˜14 h on an IBM 390 workstation. This is considerably less cpu time than would be necessitated with a supermolecule adiabatic state calculation and a conventional electronic structure code.

Acidity in DMSO from the embedded cluster integral equation quantum solvation model.

PubMed

Heil, Jochen; Tomazic, Daniel; Egbers, Simon; Kast, Stefan M

2014-04-01

The embedded cluster reference interaction site model (EC-RISM) is applied to the prediction of acidity constants of organic molecules in dimethyl sulfoxide (DMSO) solution. EC-RISM is based on a self-consistent treatment of the solute's electronic structure and the solvent's structure by coupling quantum-chemical calculations with three-dimensional (3D) RISM integral equation theory. We compare available DMSO force fields with reference calculations obtained using the polarizable continuum model (PCM). The results are evaluated statistically using two different approaches to eliminating the proton contribution: a linear regression model and an analysis of pK(a) shifts for compound pairs. Suitable levels of theory for the integral equation methodology are benchmarked. The results are further analyzed and illustrated by visualizing solvent site distribution functions and comparing them with an aqueous environment.