"Quantized" Doping of Individual Colloidal Nanocrystals Using Size-Focused Metal Quantum Clusters.
Santiago-González, Beatriz; Monguzzi, Angelo; Pinchetti, Valerio; Casu, Alberto; Prato, Mirko; Lorenzi, Roberto; Campione, Marcello; Chiodini, Norberto; Santambrogio, Carlo; Meinardi, Francesco; Manna, Liberato; Brovelli, Sergio
2017-06-27
The insertion of intentional impurities, commonly referred to as doping, into colloidal semiconductor quantum dots (QDs) is a powerful paradigm for tailoring their electronic, optical, and magnetic behaviors beyond what is obtained with size-control and heterostructuring motifs. Advancements in colloidal chemistry have led to nearly atomic precision of the doping level in both lightly and heavily doped QDs. The doping strategies currently available, however, operate at the ensemble level, resulting in a Poisson distribution of impurities across the QD population. To date, the synthesis of monodisperse ensembles of QDs individually doped with an identical number of impurity atoms is still an open challenge, and its achievement would enable the realization of advanced QD devices, such as optically/electrically controlled magnetic memories and intragap state transistors and solar cells, that rely on the precise tuning of the impurity states (i.e., number of unpaired spins, energy and width of impurity levels) within the QD host. The only approach reported to date relies on QD seeding with organometallic precursors that are intrinsically unstable and strongly affected by chemical or environmental degradation, which prevents the concept from reaching its full potential and makes the method unsuitable for aqueous synthesis routes. Here, we overcome these issues by demonstrating a doping strategy that bridges two traditionally orthogonal nanostructured material systems, namely, QDs and metal quantum clusters composed of a "magic number" of atoms held together by stable metal-to-metal bonds. Specifically, we use clusters composed of four copper atoms (Cu4) capped with d-penicillamine to seed the growth of CdS QDs in water at room temperature. The elemental analysis, performed by electrospray ionization mass spectrometry, X-ray fluorescence, and inductively coupled plasma mass spectrometry, side by side with optical spectroscopy and transmission electron microscopy
Are fragment-based quantum chemistry methods applicable to medium-sized water clusters?
Yuan, Dandan; Shen, Xiaoling; Li, Wei; Li, Shuhua
2016-06-28
Fragment-based quantum chemistry methods are either based on the many-body expansion or the inclusion-exclusion principle. To compare the applicability of these two categories of methods, we have systematically evaluated the performance of the generalized energy based fragmentation (GEBF) method (J. Phys. Chem. A, 2007, 111, 2193) and the electrostatically embedded many-body (EE-MB) method (J. Chem. Theory Comput., 2007, 3, 46) for medium-sized water clusters (H2O)n (n = 10, 20, 30). Our calculations demonstrate that the GEBF method provides uniformly accurate ground-state energies for 10 low-energy isomers of three water clusters under study at a series of theory levels, while the EE-MB method (with one water molecule as a fragment and without using the cutoff distance) shows a poor convergence for (H2O)20 and (H2O)30 when the basis set contains diffuse functions. Our analysis shows that the neglect of the basis set superposition error for each subsystem has little effect on the accuracy of the GEBF method, but leads to much less accurate results for the EE-MB method. The accuracy of the EE-MB method can be dramatically improved by using an appropriate cutoff distance and using two water molecules as a fragment. For (H2O)30, the average deviation of the EE-MB method truncated up to the three-body level calculated using this strategy (relative to the conventional energies) is about 0.003 hartree at the M06-2X/6-311++G** level, while the deviation of the GEBF method with a similar computational cost is less than 0.001 hartree. The GEBF method is demonstrated to be applicable for electronic structure calculations of water clusters at any basis set.
Zheng, Bo-Xiao; Kretchmer, Joshua S.; Shi, Hao; Zhang, Shiwei; Chan, Garnet Kin-Lic
2017-01-01
We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new formulation motivated by the dynamical cluster approximation (DCA-DMET). Both methods are applied to the half-filled one- and two-dimensional Hubbard models using a sign-problem free auxiliary-field quantum Monte Carlo impurity solver, which allows for the treatment of large impurity clusters of up to 100 sites. While CDMET is more accurate at smaller impurity cluster sizes, DCA-DMET exhibits faster asymptotic convergence towards the thermodynamic limit. We use our two formulations to produce new accurate estimates for the energy and local moment of the two-dimensional Hubbard model for U /t =2 ,4 ,6 . These results compare favorably with the best data available in the literature, and help resolve earlier uncertainties in the moment for U /t =2 .
Effect of the size of the quantum region in a hybrid embedded-cluster scheme for zeolite systems
Energy Technology Data Exchange (ETDEWEB)
Shor, Alexei M., E-mail: as@icct.ru [Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk (Russian Federation); Shor, Elena A. Ivanova [Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk (Russian Federation)] [Siberian Federal University, 660041 Krasnoyarsk (Russian Federation); Laletina, Svetlana [Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk (Russian Federation); Nasluzov, Vladimir A. [Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, 660049 Krasnoyarsk (Russian Federation)] [Siberian Federal University, 660041 Krasnoyarsk (Russian Federation); Vayssilov, Georgi N., E-mail: gnv@chem.uni-sofia.bg [Faculty of Chemistry, University of Sofia, 1126 Sofia (Bulgaria); Roesch, Notker, E-mail: roesch@mytum.de [Technische Universitaet Muenchen, Department Chemie and Catalysis Research Center, 85747 Garching (Germany)
2009-09-18
Recently we presented an improved scheme for constructing the border region within the covEPE hybrid quantum mechanics/molecular mechanics (QM/MM) embedded cluster approach for zeolites and covalent oxides in the framework of the elastic polarizable environment method. In the present study we explored how size and shape of the embedded QM cluster affect the results for structural features, energies, and characteristic vibrational frequencies of two model systems, adsorption complexes of H{sub 2}O and Rh{sub 6} in faujasite frameworks that contain Bronsted acid sites. Comparison of calculated characteristics of different QM cluster models suggests that the local structure and vibrational frequencies of acid sites in adsorbate-free zeolite are well reproduced with all embedded QM clusters, which contain from 5T to 14T atoms. A proper description of systems with an H{sub 2}O adsorbate requires larger QM clusters, with at least 8T atoms, whereas vibrational frequencies of OH groups participating in hydrogen bonds demand even larger quantum clusters, preferably with 12T or 14T atoms. The structure of the metal particle in adsorbed rhodium species is well reproduced with all QM clusters scrutinized, from 12T atoms. Larger QM models, with 18T or 24T atoms, are recommended when one aims at a high accuracy of Rh-O and Rh-H distances and characteristic energies.
Absorption diagnostics of quantum size effect on the excited states of SbI3 clusters in FAU zeolite
Virko, Sergij V.; Motsnyi, Fedir V.; Telbiz, German M.
1998-04-01
We report the absorption spectra (at 10 K) for SbI3 clusters with molecular numbers 1/2, 1 and 2 which were created in FAU-zeolite cages. At 2.0 - 3.7 eV there appear bands whose energies strongly depends of the loading densities of SbI3 molecules. These energies are remarkable blue shifted compared with the one of the bulk exciton (2.615 eV). This shift is interpreted in terms of the quantum size effect. The observed blue-shift of absorption bands coincides with one calculated in mh/me>>1 approximation (typical for MI3 layered crystals).
Weissker, Hans-Christian; López-Lozano, Xóchitl
2015-11-14
The localized surface-plasmon resonance of metal nanoparticles corresponds to a classical charge oscillation of the quasi-free conduction electrons. In the case of noble-metal nanoparticles, interband transitions from the d electrons influence the spectra strongly. In addition, the inhomogeneity of the nanoparticles at the atomistic level becomes important for small sizes. Using the time-evolution formulation of time-dependent density-functional theory, we show that in spherical 147-atom silver clusters, the localized surface-plasmon resonance corresponds indeed to a collective charge oscillation resembling the schematic picture, while the dynamics in a comparable gold cluster shows multiple modes which correspond to the spectra without strong resonance. Short nanorods show the same difference between Au and Ag. However, nanorods of high aspect ratio develop a silver-like charge oscillation. Monatomic silver chains behave similarly to the nanorods and show a clear transverse charge oscillation mode. The role of the d electrons in the screening of the localized surface-plasmon resonance is demonstrated.
Directory of Open Access Journals (Sweden)
M. Payami
2003-12-01
Full Text Available In this work, we have shown the important role of the finite-size correction to the work function in predicting the correct position of the centroid of excess charge in positively charged simple metal clusters with different values . For this purpose, firstly we have calculated the self-consistent Kohn-Sham energies of neutral and singly-ionized clusters with sizes in the framework of local spin-density approximation and stabilized jellium model (SJM as well as simple jellium model (JM with rigid jellium. Secondly, we have fitted our results to the asymptotic ionization formulas both with and without the size correction to the work function. The results of fittings show that the formula containing the size correction predict a correct position of the centroid inside the jellium while the other predicts a false position, outside the jellium sphere.
Quantum cluster algebras and quantum nilpotent algebras
Goodearl, Kenneth R.; Yakimov, Milen T.
2014-01-01
A major direction in the theory of cluster algebras is to construct (quantum) cluster algebra structures on the (quantized) coordinate rings of various families of varieties arising in Lie theory. We prove that all algebras in a very large axiomatically defined class of noncommutative algebras possess canonical quantum cluster algebra structures. Furthermore, they coincide with the corresponding upper quantum cluster algebras. We also establish analogs of these results for a large class of Poisson nilpotent algebras. Many important families of coordinate rings are subsumed in the class we are covering, which leads to a broad range of applications of the general results to the above-mentioned types of problems. As a consequence, we prove the Berenstein–Zelevinsky conjecture [Berenstein A, Zelevinsky A (2005) Adv Math 195:405–455] for the quantized coordinate rings of double Bruhat cells and construct quantum cluster algebra structures on all quantum unipotent groups, extending the theorem of Geiß et al. [Geiß C, et al. (2013) Selecta Math 19:337–397] for the case of symmetric Kac–Moody groups. Moreover, we prove that the upper cluster algebras of Berenstein et al. [Berenstein A, et al. (2005) Duke Math J 126:1–52] associated with double Bruhat cells coincide with the corresponding cluster algebras. PMID:24982197
Fundamental science of nanometer-size clusters
Energy Technology Data Exchange (ETDEWEB)
Wilcoxon, J.P.; Newcomer, P.P.; Samara, G.A.; Venturini, E.L.; Williamson, R.L.
1995-10-01
This research has produced a variety of monodisperse, nanometer-size clusters (nanoclusters for short), characterized their size and crystal structure and developed a scientific understanding of the size dependence of their physical properties. Of specific interest were the influence of quantum electronic confinement on the optical properties, magnetic properties, and dielectric properties. These properties were chosen both for their potential practical impact on various applications identified in the National Critical Technologies list (e.g., catalysis, information storage, sensors, environmental remediation, ...) as well as for their importance to the fundamental science of clusters. An Executive Summary provides a description of the major highlights.
Quantum cluster algebra structures on quantum nilpotent algebras
Goodearl, K R
2017-01-01
All algebras in a very large, axiomatically defined class of quantum nilpotent algebras are proved to possess quantum cluster algebra structures under mild conditions. Furthermore, it is shown that these quantum cluster algebras always equal the corresponding upper quantum cluster algebras. Previous approaches to these problems for the construction of (quantum) cluster algebra structures on (quantized) coordinate rings arising in Lie theory were done on a case by case basis relying on the combinatorics of each concrete family. The results of the paper have a broad range of applications to these problems, including the construction of quantum cluster algebra structures on quantum unipotent groups and quantum double Bruhat cells (the Berenstein-Zelevinsky conjecture), and treat these problems from a unified perspective. All such applications also establish equality between the constructed quantum cluster algebras and their upper counterparts.
Atmospheric Ion Clusters: Properties and Size Distributions
D'Auria, R.; Turco, R. P.
2002-12-01
Ions are continuously generated in the atmosphere by the action of galactic cosmic radiation. Measured charge concentrations are of the order of 103 ~ {cm-3} throughout the troposphere, increasing to about 5 x 103 ~ {cm-3} in the lower stratosphere [Cole and Pierce, 1965; Paltridge, 1965, 1966]. The lifetimes of these ions are sufficient to allow substantial clustering with common trace constituents in air, including water, nitric and sulfuric acids, ammonia, and a variety of organic compounds [e.g., D'Auria and Turco, 2001 and references cited therein]. The populations of the resulting charged molecular clusters represent a pre-nucleation phase of particle formation, and in this regard comprise a key segment of the over-all nucleation size spectrum [e.g., Castleman and Tang, 1972]. It has been suggested that these clusters may catalyze certain heterogeneous reactions, and given their characteristic crystal-like structures may act as freezing nuclei for supercooled droplets. To investigate these possibilities, basic information on cluster thermodynamic properties and chemical kinetics is needed. Here, we present new results for several relevant atmospheric ion cluster families. In particular, predictions based on quantum mechanical simulations of cluster structure, and related thermodynamic parameters, are compared against laboratory data. We also describe a hybrid approach for modeling cluster sequences that combines laboratory measurements and quantum predictions with the classical liquid droplet (Thomson) model to treat a wider range of cluster sizes. Calculations of cluster mass distributions based on this hybrid model are illustrated, and the advantages and limitations of such an analysis are summarized. References: Castelman, A. W., Jr., and I. N. Tang, Role of small clusters in nucleation about ions, J. Chem. Phys., 57, 3629-3638, 1972. Cole, R. K., and E. T. Pierce, Electrification in the Earth's atmosphere for altitudes between 0 and 100 kilometers, J
National Research Council Canada - National Science Library
M. Payami
2003-01-01
In this work, we have shown the important role of the finite-size correction to the work function in predicting the correct position of the centroid of excess charge in positively charged simple metal...
Han, Wen-Ge; Noodleman, Louis
2010-03-01
In studying the properties of metalloproteins using ab initio quantum mechanical methods, one has to focus on the calculations on the active site. The bulk protein and solvent environment is often neglected, or is treated as a continuum dielectric medium with a certain dielectric constant. The size of the quantum cluster of the active site chosen for calculations can vary by including only the first-shell ligands which are directly bound to the metal centers, or including also the second-shell residues which are adjacent to and normally have H-bonding interactions with the first-shell ligands, or by including also further hydrogen bonding residues. It is not well understood how the size of the quantum cluster and the value of the dielectric constant chosen for the calculations will influence the calculated properties. In this paper, we have studied three models (A, B, and C) of different sizes for the active site of the ribonucleotide reductase intermediate X, using density functional theory (DFT) OPBE functional with broken-symmetry methodology. Each model is studied in gas-phase and in the conductor-like screening (COSMO) solvation model with different dielectric constants ε = 4, 10, 20, and 80, respectively. All the calculated Fe-ligand geometries, Heisenberg J coupling constants, and the Mössbauer isomer shifts, quadrupole splittings, and the (57)Fe, (1)H, and (17)O hyperfine tensors are compared. We find that the calculated isomer shifts are very stable. They are virtually unchanged with respect to the size of the cluster and the dielectric constant of the environment. On the other hand, certain Fe-ligand distances are sensitive to both the size of the cluster and the value of ε. ε = 4, which is normally used for the protein environment, appears too small when studying the diiron active site geometry with only the first-shell ligands as seen by comparisons with larger models.
Quantum Monte Carlo methods and lithium cluster properties. [Atomic clusters
Energy Technology Data Exchange (ETDEWEB)
Owen, R.K.
1990-12-01
Properties of small lithium clusters with sizes ranging from n = 1 to 5 atoms were investigated using quantum Monte Carlo (QMC) methods. Cluster geometries were found from complete active space self consistent field (CASSCF) calculations. A detailed development of the QMC method leading to the variational QMC (V-QMC) and diffusion QMC (D-QMC) methods is shown. The many-body aspect of electron correlation is introduced into the QMC importance sampling electron-electron correlation functions by using density dependent parameters, and are shown to increase the amount of correlation energy obtained in V-QMC calculations. A detailed analysis of D-QMC time-step bias is made and is found to be at least linear with respect to the time-step. The D-QMC calculations determined the lithium cluster ionization potentials to be 0.1982(14) (0.1981), 0.1895(9) (0.1874(4)), 0.1530(34) (0.1599(73)), 0.1664(37) (0.1724(110)), 0.1613(43) (0.1675(110)) Hartrees for lithium clusters n = 1 through 5, respectively; in good agreement with experimental results shown in the brackets. Also, the binding energies per atom was computed to be 0.0177(8) (0.0203(12)), 0.0188(10) (0.0220(21)), 0.0247(8) (0.0310(12)), 0.0253(8) (0.0351(8)) Hartrees for lithium clusters n = 2 through 5, respectively. The lithium cluster one-electron density is shown to have charge concentrations corresponding to nonnuclear attractors. The overall shape of the electronic charge density also bears a remarkable similarity with the anisotropic harmonic oscillator model shape for the given number of valence electrons.
Double-partition Quantum Cluster Algebras
DEFF Research Database (Denmark)
Jakobsen, Hans Plesner; Zhang, Hechun
2012-01-01
A family of quantum cluster algebras is introduced and studied. In general, these algebras are new, but sub-classes have been studied previously by other authors. The algebras are indexed by double parti- tions or double flag varieties. Equivalently, they are indexed by broken lines L. By grouping...... together neighboring mutations into quantum line mutations we can mutate from the cluster algebra of one broken line to another. Compatible pairs can be written down. The algebras are equal to their upper cluster algebras. The variables of the quantum seeds are given by elements of the dual canonical basis....
Quantum information processing with noisy cluster states
Tame, M S; Kim, M S; Vedral, V
2005-01-01
We provide an analysis of basic quantum information processing protocols under the effect of intrinsic non-idealities in cluster states. These non-idealities are based on the introduction of randomness in the entangling steps that create the cluster state and are motivated by the unavoidable imperfections faced in creating entanglement using condensed-matter systems. Aided by the use of an alternative and very efficient method to construct cluster state configurations, which relies on the concatenation of fundamental cluster structures, we address quantum state transfer and various fundamental gate simulations through noisy cluster states. We find that a winning strategy to limit the effects of noise, is the management of small clusters processed via just a few measurements. Our study also reinforces recent ideas related to the optical implementation of a one-way quantum computer.
Classical and quantum physics of hydrogen clusters.
Mezzacapo, Fabio; Boninsegni, Massimo
2009-04-22
We present results of a comprehensive theoretical investigation of the low temperature (T) properties of clusters of para-hydrogen (p-H(2)), both pristine as well as doped with isotopic impurities (i.e., ortho-deuterium, o-D(2)). We study clusters comprising up to N = 40 molecules, by means of quantum simulations based on the continuous-space Worm algorithm. Pristine p-H(2) clusters are liquid-like and superfluid in the [Formula: see text] limit. The superfluid signal is uniform throughout these clusters; it is underlain by long cycles of permutation of molecules. Clusters with more than 22 molecules display solid-like, essentially classical behavior at temperatures down to T∼1 K; some of them are seen to turn liquid-like at sufficiently low T (quantum melting).
Quantum chemical treatments of metal clusters.
Weigend, Florian; Ahlrichs, Reinhart
2010-03-28
This work focuses on finding and rationalizing the building principles of clusters with approximately 300 atoms of different types of metals: main group elements (Al, Sn), alkaline earth metals (Mg), transition metals (Pd) and clusters consisting of two different elements (Ir and Pt). Two tools are inevitable for this purpose: (i) quantum chemical methods that are able to treat a given cluster with both sufficient accuracy and efficiency and (ii) algorithms that are able to systematically scan the (3n-6)-dimensional potential surface of an n-atomic cluster for promising isomers. Currently, the only quantum chemical method that can be applied to metal clusters is density functional theory (DFT). Other methods either do not account for the multi-reference character of metal clusters or are too expensive and thus can be applied only to clusters of very few atoms, which usually is not sufficient for studying the building principles. The accuracy of DFT is not known a priori, but extrapolations to bulk values from calculated series of data show satisfying agreement with experimental data. For scans of the potential surface, simulated annealing techniques or genetic algorithms were used for the smaller clusters (approx. 20-30 atoms), and for the larger clusters considerations were restricted to selected packings and shapes. For the mixed-metallic clusters, perturbation theory turned out to be efficient and successful for finding the most promising distributions of the two atom types at the different sites.
Quantum Q systems: from cluster algebras to quantum current algebras
Di Francesco, Philippe; Kedem, Rinat
2017-02-01
This paper gives a new algebraic interpretation for the algebra generated by the quantum cluster variables of the A_r quantum Q-system (Di Francesco and Kedem in Int Math Res Not IMRN 10:2593-2642, 2014). We show that the algebra can be described as a quotient of the localization of the quantum algebra U_{√{q}}({n}[u,u^{-1}])subset U_{√{q}}(widehat{{sl}}_2), in the Drinfeld presentation. The generating current is made up of a subset of the cluster variables which satisfy the Q-system, which we call fundamental. The other cluster variables are given by a quantum determinant-type formula, and are polynomials in the fundamental generators. The conserved quantities of the discrete evolution (Di Francesco and Kedem in Adv Math 228(1):97-152, 2011) described by quantum Q-system generate the Cartan currents at level 0, in a non-standard polarization. The rest of the quantum affine algebra is also described in terms of cluster variables.
Quantum Q systems: from cluster algebras to quantum current algebras
Di Francesco, Philippe; Kedem, Rinat
2016-11-01
This paper gives a new algebraic interpretation for the algebra generated by the quantum cluster variables of the A_r quantum Q-system (Di Francesco and Kedem in Int Math Res Not IMRN 10:2593-2642, 2014). We show that the algebra can be described as a quotient of the localization of the quantum algebra U_{√{q}}({{n}}[u,u^{-1}])subset U_{√{q}}(widehat{{{sl}}}_2) , in the Drinfeld presentation. The generating current is made up of a subset of the cluster variables which satisfy the Q-system, which we call fundamental. The other cluster variables are given by a quantum determinant-type formula, and are polynomials in the fundamental generators. The conserved quantities of the discrete evolution (Di Francesco and Kedem in Adv Math 228(1):97-152, 2011) described by quantum Q-system generate the Cartan currents at level 0, in a non-standard polarization. The rest of the quantum affine algebra is also described in terms of cluster variables.
Paulrajpillai Xavier; Kamalesh Chaudhari; Ananya Baksi; Thalappil Pradeep
2012-01-01
Noble metal quantum clusters (NMQCs) are the missing link between isolated noble metal atoms and nanoparticles. NMQCs are sub-nanometer core sized clusters composed of a group of atoms, most often luminescent in the visible region, and possess intriguing photo-physical and chemical properties. A trend is observed in the use of ligands, ranging from phosphines to functional proteins, for the synthesis of NMQCs in the liquid phase. In this review, we briefly overview recent advancements in the ...
The cluster variety face of quantum groups
Popolitov, Alexandr
2014-01-01
Using the well-known free-field formalism for quantum groups, we demonstrate in case of $A(n)_q$, that quantum group is naturally also a cluster variety. Widely used formulae for mutations are direct consequence of independence of group element on the order of simple roots. Usual formulae for $2 n$ Poisson leaf emerge in classical limit, if all but few ($2n$) coordinates vanish.
Quantum cluster algebras and fusion products
Di Francesco, Philippe
2011-01-01
$Q$-systems are recursion relations satisfied by the characters of the restrictions of special finite-dimensional modules of quantum affine algebras. They can also be viewed as mutations in certain cluster algebras, which have a natural quantum deformation. In this paper, we explain the relation in the simply-laced case between the resulting quantum $Q$-systems and the graded tensor product of Feigin and Loktev. We prove the graded version of the $M=N$ identities, and write expressions for these as non-commuting evaluated multi-residues of suitable products of solutions of the quantum $Q$-system. This leads to a simple reformulation of Feigin and Loktev's fusion coefficients as matrix elements in a representation of the quantum $Q$-system algebra.
Cluster dynamics largely shapes protoplanetary disc sizes
Vincke, Kirsten
2016-01-01
It is still on open question to what degree the cluster environment influences the sizes of protoplanetary discs surrounding young stars. Particularly so for the short-lived clusters typical for the solar neighbourhood in which the stellar density and therefore the influence of the cluster environment changes considerably over the first 10 Myr. In previous studies often the effect of the gas on the cluster dynamics has been neglected, this is remedied here. Using the code NBody6++ we study the stellar dynamics in different developmental phases - embedded, expulsion, expansion - including the gas and quantify the effect of fly-bys on the disc size. We concentrate on massive clusters ($M_{\\text{cl}} \\geq 10^3 - 6 \\cdot 10^4 M_{\\text{Sun}}$), which are representative for clusters like the Orion Nebula Cluster (ONC) or NGC 6611. We find that not only the stellar density but also the duration of the embedded phase matters. The densest clusters react fastest to the gas expulsion and drop quickly in density, here 98...
Generation of Quantum Cluster States using Surface Acoustic Waves
Majumdar, Mrittunjoy Guha
2016-01-01
One-way quantum computation, also known as Cluster State Quantum Computation, provides a robust and efficient tool to perform universal quantum computation using only single-qubit projective measurements, given a highly entangled cluster state. The cluster-state approach to quantum computation also leads to certain practical advantages such as robustness against errors. In this paper, we propose a SAW-driven One-Way Quantum Computation approach that is realizable using a mentioned architecture and elements.
Structural transformations and melting in neon clusters: quantum versus classical mechanics.
Frantsuzov, Pavel A; Meluzzi, Dario; Mandelshtam, Vladimir A
2006-03-24
The extraordinary complexity of Lennard-Jones (LJ) clusters, which exhibit numerous structures and "phases" when their size or temperature is varied, presents a great challenge for accurate numerical simulations, even without accounting for quantum effects. To study the latter, we utilize the variational Gaussian wave packet method in conjunction with the exchange Monte Carlo sampling technique. We show that the quantum nature of neon clusters has a substantial effect on their size-temperature "phase diagrams," particularly the critical parameters of certain structural transformations. We also give a numerical confirmation that none of the nonicosahedral structures observed for some classical LJ clusters are favorable in the quantum case.
Blockspin Cluster Algorithms for Quantum Spin Systems
Wiese, U J
1992-01-01
Cluster algorithms are developed for simulating quantum spin systems like the one- and two-dimensional Heisenberg ferro- and anti-ferromagnets. The corresponding two- and three-dimensional classical spin models with four-spin couplings are maped to blockspin models with two-blockspin interactions. Clusters of blockspins are updated collectively. The efficiency of the method is investigated in detail for one-dimensional spin chains. Then in most cases the new algorithms solve the problems of slowing down from which standard algorithms are suffering.
Arbitrated quantum signature scheme based on cluster states
Yang, Yu-Guang; Lei, He; Liu, Zhi-Chao; Zhou, Yi-Hua; Shi, Wei-Min
2016-06-01
Cluster states can be exploited for some tasks such as topological one-way computation, quantum error correction, teleportation and dense coding. In this paper, we investigate and propose an arbitrated quantum signature scheme with cluster states. The cluster states are used for quantum key distribution and quantum signature. The proposed scheme can achieve an efficiency of 100 %. Finally, we also discuss its security against various attacks.
Macroscopic Quantum Coherence in Magnetic Molecular Clusters
Institute of Scientific and Technical Information of China (English)
JIN Yan-Hong; NIE Yi-Hang; LIANG Jiu-Qing; PU Fu-Cho
2001-01-01
The oscillation of tunnel splitting in Fes molecular clusters is obtained as a function of magnetic field applied along the hard axis by means of the instanton method with both semiclassical treatment and the effective potential field description of the quantum spin system. The theoretical splittings of the instanton method are compared with the numerical result by diagonalization of spin Hamiltonian operators and experimental observations. By taking the appropriate parameters, our theoretical formula yields a result the same as the experimental observation.
Digital Doping in Magic-Sized CdSe Clusters.
Muckel, Franziska; Yang, Jiwoong; Lorenz, Severin; Baek, Woonhyuk; Chang, Hogeun; Hyeon, Taeghwan; Bacher, Gerd; Fainblat, Rachel
2016-07-26
Magic-sized semiconductor clusters represent an exciting class of materials located at the boundary between quantum dots and molecules. It is expected that replacing single atoms of the host crystal with individual dopants in a one-by-one fashion can lead to unique modifications of the material properties. Here, we demonstrate the dependence of the magneto-optical response of (CdSe)13 clusters on the discrete number of Mn(2+) ion dopants. Using time-of-flight mass spectrometry, we are able to distinguish undoped, monodoped, and bidoped cluster species, allowing for an extraction of the relative amount of each species for a specific average doping concentration. A giant magneto-optical response is observed up to room temperature with clear evidence that exclusively monodoped clusters are magneto-optically active, whereas the Mn(2+) ions in bidoped clusters couple antiferromagnetically and are magneto-optically passive. Mn(2+)-doped clusters therefore represent a system where magneto-optical functionality is caused by solitary dopants, which might be beneficial for future solotronic applications.
Weaving quantum optical frequency combs into continuous-variable hypercubic cluster states
Wang, Pei; Chen, Moran; Menicucci, Nicolas C.; Pfister, Olivier
2014-09-01
Cluster states with higher-dimensional lattices that cannot be physically embedded in three-dimensional space have important theoretical interest in quantum computation and quantum simulation of topologically ordered condensed-matter systems. We present a simple, scalable, top-down method of entangling the quantum optical frequency comb into hypercubic-lattice continuous-variable cluster states of a size of about 104 quantum field modes, using existing technology. A hypercubic lattice of dimension D (linear, square, cubic, hypercubic, etc.) requires but D optical parametric oscillators with bichromatic pumps whose frequency splittings alone determine the lattice dimensionality and the number of copies of the state.
Ab initio quantum dynamics using coupled-cluster.
Kvaal, Simen
2012-05-21
The curse of dimensionality (COD) limits the current state-of-the-art ab initio propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC) method overcomes the COD in the sense that the method scales polynomially with the number of particles while still being size-consistent and extensive. We generalize the CC method to the time domain while allowing the single-particle functions to vary in an adaptive fashion as well, thereby creating a highly flexible, polynomially scaling approximation to the time-dependent Schrödinger equation. The method inherits size-consistency and extensivity from the CC method. The method is dubbed orbital-adaptive time-dependent coupled-cluster, and is a hierarchy of approximations to the now standard multi-configurational time-dependent Hartree method for fermions. A numerical experiment is also given.
Ab initio quantum dynamics using coupled-cluster
Kvaal, Simen
2012-01-01
The curse of dimensionality (COD) limits the current state-of-the-art {\\it ab initio} propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC) method overcomes the COD in the sense that the method scales polynomially with the number of particles while still being size-consistent and extensive. We generalize the CC method to the time domain while allowing the single-particle functions to vary in an adaptive fashion as well, thereby creating a highly flexible, polynomially scaling approximation to the time-dependent Schr\\"odinger equation. The method inherits size-consistency and extensivity from the CC method. The method is dubbed orbital-adaptive time-dependent coupled-cluster (OATDCC), and is a hierarchy of approximations to the now standard multi-configurational time-dependent Hartree method for fermions. A numerical experiment is also given.
Exciton size and quantum transport in nanoplatelets
Energy Technology Data Exchange (ETDEWEB)
Pelzer, Kenley M., E-mail: kpelzer@anl.gov; Gray, Stephen K. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 Cass Ave., Argonne, Illinois 60439 (United States); Darling, Seth B. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 Cass Ave., Argonne, Illinois 60439 (United States); Institute for Molecular Engineering, University of Chicago, 5747 S. Ellis Ave., Chicago, Illinois 60637 (United States); Schaller, Richard D. [Center for Nanoscale Materials, Argonne National Laboratory, 9700 Cass Ave., Argonne, Illinois 60439 (United States); Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208 (United States)
2015-12-14
Two-dimensional nanoplatelets (NPLs) are an exciting class of materials with promising optical and energy transport properties. The possibility of efficient energy transport between nanoplatelets raises questions regarding the nature of energy transfer in these thin, laterally extended systems. A challenge in understanding exciton transport is the uncertainty regarding the size of the exciton. Depending on the material and defects in the nanoplatelet, an exciton could plausibly extend over an entire plate or localize to a small region. The variation in possible exciton sizes raises the question how exciton size impacts the efficiency of transport between nanoplatelet structures. Here, we explore this issue using a quantum master equation approach. This method goes beyond the assumptions of Förster theory to allow for quantum mechanical effects that could increase energy transfer efficiency. The model is extremely flexible in describing different systems, allowing us to test the effect of varying the spatial extent of the exciton. We first discuss qualitative aspects of the relationship between exciton size and transport and then conduct simulations of exciton transport between NPLs for a range of exciton sizes and environmental conditions. Our results reveal that exciton size has a strong effect on energy transfer efficiency and suggest that manipulation of exciton size may be useful in designing NPLs for energy transport.
Exciton size and quantum transport in nanoplatelets.
Pelzer, Kenley M; Darling, Seth B; Gray, Stephen K; Schaller, Richard D
2015-12-14
Two-dimensional nanoplatelets (NPLs) are an exciting class of materials with promising optical and energy transport properties. The possibility of efficient energy transport between nanoplatelets raises questions regarding the nature of energy transfer in these thin, laterally extended systems. A challenge in understanding exciton transport is the uncertainty regarding the size of the exciton. Depending on the material and defects in the nanoplatelet, an exciton could plausibly extend over an entire plate or localize to a small region. The variation in possible exciton sizes raises the question how exciton size impacts the efficiency of transport between nanoplatelet structures. Here, we explore this issue using a quantum master equation approach. This method goes beyond the assumptions of Förster theory to allow for quantum mechanical effects that could increase energy transfer efficiency. The model is extremely flexible in describing different systems, allowing us to test the effect of varying the spatial extent of the exciton. We first discuss qualitative aspects of the relationship between exciton size and transport and then conduct simulations of exciton transport between NPLs for a range of exciton sizes and environmental conditions. Our results reveal that exciton size has a strong effect on energy transfer efficiency and suggest that manipulation of exciton size may be useful in designing NPLs for energy transport.
Hierarchical modeling of cluster size in wildlife surveys
Royle, J. Andrew
2008-01-01
Clusters or groups of individuals are the fundamental unit of observation in many wildlife sampling problems, including aerial surveys of waterfowl, marine mammals, and ungulates. Explicit accounting of cluster size in models for estimating abundance is necessary because detection of individuals within clusters is not independent and detectability of clusters is likely to increase with cluster size. This induces a cluster size bias in which the average cluster size in the sample is larger than in the population at large. Thus, failure to account for the relationship between delectability and cluster size will tend to yield a positive bias in estimates of abundance or density. I describe a hierarchical modeling framework for accounting for cluster-size bias in animal sampling. The hierarchical model consists of models for the observation process conditional on the cluster size distribution and the cluster size distribution conditional on the total number of clusters. Optionally, a spatial model can be specified that describes variation in the total number of clusters per sample unit. Parameter estimation, model selection, and criticism may be carried out using conventional likelihood-based methods. An extension of the model is described for the situation where measurable covariates at the level of the sample unit are available. Several candidate models within the proposed class are evaluated for aerial survey data on mallard ducks (Anas platyrhynchos).
Hybrid cluster state proposal for a quantum game
Paternostro, M; Kim, M S
2005-01-01
We propose an experimental implementation of a quantum game algorithm in a hybrid scheme combining the quantum circuit approach and the cluster state model. An economical cluster configuration is suggested to embody a quantum version of the Prisoners' Dilemma. Our proposal is shown to be within the experimental state-of-art and can be realized with existing technology. The effects of relevant experimental imperfections are also carefully examined.
Eldridge, Sandra M; Ashby, Deborah; Kerry, Sally
2006-10-01
Cluster randomized trials are increasingly popular. In many of these trials, cluster sizes are unequal. This can affect trial power, but standard sample size formulae for these trials ignore this. Previous studies addressing this issue have mostly focused on continuous outcomes or methods that are sometimes difficult to use in practice. We show how a simple formula can be used to judge the possible effect of unequal cluster sizes for various types of analyses and both continuous and binary outcomes. We explore the practical estimation of the coefficient of variation of cluster size required in this formula and demonstrate the formula's performance for a hypothetical but typical trial randomizing UK general practices. The simple formula provides a good estimate of sample size requirements for trials analysed using cluster-level analyses weighting by cluster size and a conservative estimate for other types of analyses. For trials randomizing UK general practices the coefficient of variation of cluster size depends on variation in practice list size, variation in incidence or prevalence of the medical condition under examination, and practice and patient recruitment strategies, and for many trials is expected to be approximately 0.65. Individual-level analyses can be noticeably more efficient than some cluster-level analyses in this context. When the coefficient of variation is <0.23, the effect of adjustment for variable cluster size on sample size is negligible. Most trials randomizing UK general practices and many other cluster randomized trials should account for variable cluster size in their sample size calculations.
Analyzing Big Data with Dynamic Quantum Clustering
Weinstein, M; Hume, A; Sciau, Ph; Shaked, G; Hofstetter, R; Persi, E; Mehta, A; Horn, D
2013-01-01
How does one search for a needle in a multi-dimensional haystack without knowing what a needle is and without knowing if there is one in the haystack? This kind of problem requires a paradigm shift - away from hypothesis driven searches of the data - towards a methodology that lets the data speak for itself. Dynamic Quantum Clustering (DQC) is such a methodology. DQC is a powerful visual method that works with big, high-dimensional data. It exploits variations of the density of the data (in feature space) and unearths subsets of the data that exhibit correlations among all the measured variables. The outcome of a DQC analysis is a movie that shows how and why sets of data-points are eventually classified as members of simple clusters or as members of - what we call - extended structures. This allows DQC to be successfully used in a non-conventional exploratory mode where one searches data for unexpected information without the need to model the data. We show how this works for big, complex, real-world dataset...
Finite-size scaling at quantum transitions
Campostrini, Massimo; Pelissetto, Andrea; Vicari, Ettore
2014-03-01
We develop the finite-size scaling (FSS) theory at quantum transitions. We consider various boundary conditions, such as open and periodic boundary conditions, and characterize the corrections to the leading FSS behavior. Using renormalization-group (RG) theory, we generalize the classical scaling ansatz to describe FSS in the quantum case, classifying the different sources of scaling corrections. We identify nonanalytic corrections due to irrelevant (bulk and boundary) RG perturbations and analytic contributions due to regular backgrounds and analytic expansions of the nonlinear scaling fields. To check the general predictions, we consider the quantum XY chain in a transverse field. For this model exact or numerically accurate results can be obtained by exploiting its fermionic quadratic representation. We study the FSS of several observables, such as the free energy, the energy differences between low-energy levels, correlation functions of the order parameter, etc., confirming the general predictions in all cases. Moreover, we consider bipartite entanglement entropies, which are characterized by the presence of additional scaling corrections, as predicted by conformal field theory.
Size Determination of Argon Clusters from a Rayleigh Scattering Experiment
Institute of Scientific and Technical Information of China (English)
LEI An-Le; ZHAI Hua-Jin; LIU Bing-Chen; LI Zhong; NI Guo-Yuan; XU Zhi-Zhan
2000-01-01
Argon clusters are produced in the process of adiabatic expansion of a high backing pressure gas into vacuum through a nozzle. The cluster size is determined by a Rayleigh scattering measurement. The scattered signal measured is proportional to the 2.78th power of gas stagnation pressure. The average cluster sizes vary from 100 to more than 12000 atoms/cluster with the argon gas backing pressures ranging between 3 to 45 atm.
Cluster State Quantum Computation and the Repeat-Until Scheme
Kwek, L. C.
Cluster state computation or the one way quantum computation (1WQC) relies on an initially highly entangled state (called a cluster state) and an appropriate sequence of single qubit measurements along different directions, together with feed-forward based on the measurement results, to realize a quantum computation process. The final result of the computation is obtained by measuring the last remaining qubits in the computational basis. In this short tutorial on cluster state quantum computation, we will also describe the basic ideas of a cluster state and proceed to describe how a single qubit operation can be done on a cluster state. Recently, we proposed a repeat-until-success (RUS) scheme that could effectively be used to realize one-way quantum computer on a hybrid system of photons and atoms. We will briefly describe this RUS scheme and show how it can be used to entangled two distant stationary qubits.
Xavier, Paulrajpillai Lourdu; Chaudhari, Kamalesh; Baksi, Ananya; Pradeep, Thalappil
2012-01-01
Noble metal quantum clusters (NMQCs) are the missing link between isolated noble metal atoms and nanoparticles. NMQCs are sub-nanometer core sized clusters composed of a group of atoms, most often luminescent in the visible region, and possess intriguing photo-physical and chemical properties. A trend is observed in the use of ligands, ranging from phosphines to functional proteins, for the synthesis of NMQCs in the liquid phase. In this review, we briefly overview recent advancements in the synthesis of protein protected NMQCs with special emphasis on their structural and photo-physical properties. In view of the protein protection, coupled with direct synthesis and easy functionalization, this hybrid QC-protein system is expected to have numerous optical and bioimaging applications in the future, pointers in this direction are visible in the literature.
Directory of Open Access Journals (Sweden)
Paulrajpillai Xavier
2012-02-01
Full Text Available Noble metal quantum clusters (NMQCs are the missing link between isolated noble metal atoms and nanoparticles. NMQCs are sub-nanometer core sized clusters composed of a group of atoms, most often luminescent in the visible region, and possess intriguing photo-physical and chemical properties. A trend is observed in the use of ligands, ranging from phosphines to functional proteins, for the synthesis of NMQCs in the liquid phase. In this review, we briefly overview recent advancements in the synthesis of protein protected NMQCs with special emphasis on their structural and photo-physical properties. In view of the protein protection, coupled with direct synthesis and easy functionalization, this hybrid QC-protein system is expected to have numerous optical and bioimaging applications in the future, pointers in this direction are visible in the literature.
Quantum Monte Carlo methods and lithium cluster properties
Energy Technology Data Exchange (ETDEWEB)
Owen, R.K.
1990-12-01
Properties of small lithium clusters with sizes ranging from n = 1 to 5 atoms were investigated using quantum Monte Carlo (QMC) methods. Cluster geometries were found from complete active space self consistent field (CASSCF) calculations. A detailed development of the QMC method leading to the variational QMC (V-QMC) and diffusion QMC (D-QMC) methods is shown. The many-body aspect of electron correlation is introduced into the QMC importance sampling electron-electron correlation functions by using density dependent parameters, and are shown to increase the amount of correlation energy obtained in V-QMC calculations. A detailed analysis of D-QMC time-step bias is made and is found to be at least linear with respect to the time-step. The D-QMC calculations determined the lithium cluster ionization potentials to be 0.1982(14) [0.1981], 0.1895(9) [0.1874(4)], 0.1530(34) [0.1599(73)], 0.1664(37) [0.1724(110)], 0.1613(43) [0.1675(110)] Hartrees for lithium clusters n = 1 through 5, respectively; in good agreement with experimental results shown in the brackets. Also, the binding energies per atom was computed to be 0.0177(8) [0.0203(12)], 0.0188(10) [0.0220(21)], 0.0247(8) [0.0310(12)], 0.0253(8) [0.0351(8)] Hartrees for lithium clusters n = 2 through 5, respectively. The lithium cluster one-electron density is shown to have charge concentrations corresponding to nonnuclear attractors. The overall shape of the electronic charge density also bears a remarkable similarity with the anisotropic harmonic oscillator model shape for the given number of valence electrons.
Quantum Implementation of Unitary Coupled Cluster for Simulating Molecular Electronic Structure
Shen, Yangchao; Zhang, Shuaining; Zhang, Jing-Ning; Yung, Man-Hong; Kim, Kihwan
2015-01-01
Quantum simulation represents an efficient solution to a certain classically intractable problem in various research area including quantum chemistry. The central problem of quantum chemistry is to determine the electronic structure and the ground-state energy of atoms and molecules. The exact classical calculation of the problem is demanding even for molecules with moderate size due to the "exponential catastrophe." To deal with such quantum chemistry problem, the coupled-cluster methods have been successfully developed, which are considered to be the current "gold standard" in classical computational chemistry. However, the coupled-cluster ansatz is built with non-unitary operation, which leads to drawbacks such as lacking variational bound of ground-state energy. The unitary version of the coupled-cluster methods would perfectly address the problem, whereas it is classically inefficient without proper truncation of the infinite series expansion. It has been a long-standing challenge to build an efficient c...
Blind Quantum Signature with Controlled Four-Particle Cluster States
Li, Wei; Shi, Jinjing; Shi, Ronghua; Guo, Ying
2017-08-01
A novel blind quantum signature scheme based on cluster states is introduced. Cluster states are a type of multi-qubit entangled states and it is more immune to decoherence than other entangled states. The controlled four-particle cluster states are created by acting controlled-Z gate on particles of four-particle cluster states. The presented scheme utilizes the above entangled states and simplifies the measurement basis to generate and verify the signature. Security analysis demonstrates that the scheme is unconditional secure. It can be employed to E-commerce systems in quantum scenario.
Turi, László
2016-04-21
We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory(DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavitystructure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.
Energy Technology Data Exchange (ETDEWEB)
Antanovich, Artsiom; Prudnikau, Anatol; Gurin, Valerij; Artemyev, Mikhail, E-mail: m_artemyev@yahoo.com
2015-07-09
Highlights: • HgSe magic-sized clusters were prepared via Cd/Hg cationic exchange in pyridine. • Upon cationic exchange CdSe clusters behave differently from quantum dots or rods. • Theoretical calculations of magic-sized clusters agree well with experimental data. - Abstract: We examine conversion of magic-sized CdSe clusters (MSCs) into HgSe ones by means of Cd/Hg cation exchange. With this procedure Cd{sub 8}Cd{sub 17}– and Cd{sub 32}–selenide clusters can be converted into corresponding Hg{sub 8}–, Hg{sub 17}– and Hg{sub 32}–selenide ones. Upon cationic exchange MSCs behavior differs from that of bulkier counterparts – larger (2–3 nm) quantum dots. Unlike CdSe colloidal quantum dots, magic-sized clusters are converted in fast and complete manner without a formation of intermediate mixed Cd{sub x}Hg{sub 1−x} compounds that was established on the basis of optical absorption spectroscopy and chemical composition analysis. These assumptions were supported by DFT quantum chemical calculations performed for Cd{sub 8}–, Cd{sub 17}– and Hg{sub 8}–, Hg{sub 17}–selenide model clusters. Energies of experimental and calculated optical transitions were compared in order to prove the isostructural character of cationic substitution in magic-sized clusters.
Plasmon enhanced silver quantum cluster fluorescence for biochemical applications
DEFF Research Database (Denmark)
Bernard, S.; Kutter, Jörg P.; Mogensen, K. B.
2014-01-01
Fluorescence microscopy of individual silver quantum clusters on the surface of silver nanoparticles reveals strong photoactivated emission under blue light excitation [1-4]. In this work, silver nanoparticles are produced by annealing silver thin films deposited on a glass substrate and silver...... quantum clusters are subsequently synthesized at the surface of the nanoparticles by photoactivation in presence of Ag+ cations in solution. The photogeneration of these silver quantum clusters leads to a great increase in the fluorescent signal. This photoactivated surface can then be used for sensing...... purposes. It was found, that in presence of a strong nucleophile (such as CN-), silver quantum clusters are dissolved into non-fluorescing AgCN complexes, resulting in a fast and observable decrease of the fluorescent signal....
Directory of Open Access Journals (Sweden)
Ravaud Philippe
2006-04-01
Full Text Available Abstract Background Cluster randomization design is increasingly used for the evaluation of health-care, screeening or educational interventions. At the planning stage, sample size calculations usually consider an average cluster size without taking into account any potential imbalance in cluster size. However, there may exist high discrepancies in cluster sizes. Methods We performed simulations to study the impact of an imbalance in cluster size on power. We determined by simulations to which extent four methods proposed to adapt the sample size calculations to a pre-specified imbalance in cluster size could lead to adequately powered trials. Results We showed that an imbalance in cluster size can be of high influence on the power in the case of severe imbalance, particularly if the number of clusters is low and/or the intraclass correlation coefficient is high. In the case of a severe imbalance, our simulations confirmed that the minimum variance weights correction of the variation inflaction factor (VIF used in the sample size calculations has the best properties. Conclusion Publication of cluster sizes is important to assess the real power of the trial which was conducted and to help designing future trials. We derived an adaptation of the VIF from the minimum variance weights correction to be used in case the imbalance can be a priori formulated such as "a proportion (γ of clusters actually recruit a proportion (τ of subjects to be included (γ ≤ τ".
Particle size distribution in ferrofluid macro-clusters
Energy Technology Data Exchange (ETDEWEB)
Lee, Wah-Keat, E-mail: wklee@bnl.gov [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, 9700S. Cass Avenue, Argonne, IL 60439 (United States); Ilavsky, Jan [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, 9700S. Cass Avenue, Argonne, IL 60439 (United States)
2013-03-15
Under an applied magnetic field, many commercial and concentrated ferrofluids agglomerate and form large micron-sized structures. Although large diameter particles have been implicated in the formation of these macro-clusters, the question of whether the particle size distribution of the macro-clusters are the same as the original fluid remains open. Some studies suggest that these macro-clusters consist of larger particles, while others have shown that there is no difference in the particle size distribution between the macro-clusters and the original fluid. In this study, we use X-ray imaging to aid in a sample (diluted EFH-1 from Ferrotec) separation process and conclusively show that the average particle size in the macro-clusters is significantly larger than those in the original sample. The average particle size in the macro-clusters is 19.6 nm while the average particle size of the original fluid is 11.6 nm. - Highlights: Black-Right-Pointing-Pointer X-ray imaging was used to isolate ferrofluid macro-clusters under an applied field. Black-Right-Pointing-Pointer Small angle X-ray scattering was used to determine particle size distributions. Black-Right-Pointing-Pointer Results show that macro-clusters consist of particles that are larger than average.
Quantum homomorphic encryption for polynomial-sized circuits
Y. Dulek (Yfke); C. Schaffner (Christian); F. Speelman (Florian)
2016-01-01
textabstractWe present a new scheme for quantum homomorphic encryption which is compact and allows for efficient evaluation of arbitrary polynomial-sized quantum circuits. Building on the framework of Broadbent and Jeffery [BJ15] and recent results in the area of instantaneous non-local quantum
Theoretically extensible quantum digital signature with starlike cluster states
Yang, Yu-Guang; Liu, Zhi-Chao; Li, Jian; Chen, Xiu-Bo; Zuo, Hui-Juan; Zhou, Yi-Hua; Shi, Wei-Min
2017-01-01
Chen et al. (Phys Rev A 73:012303, 2006) constructed this "starlike cluster" state, which involves one qubit located at the center and n neighboring two-qubit arms. This genuine entangled state has been used for the construction of 2D and 3D cluster states, topological one-way computation, and dynamical quantum secret sharing. In this paper, we investigate the usefulness of this starlike cluster state and propose a theoretically extensible quantum digital signature scheme. The proposed scheme can be theoretically generalized to more than three participants. Moreover, it retains the merits of no requirements such as authenticated quantum channels and long-term quantum memory. We also give a security proof for the proposed scheme against repudiation and forgery.
Communication: Finite size correction in periodic coupled cluster theory calculations of solids
Liao, Ke; Grüneis, Andreas
2016-10-01
We present a method to correct for finite size errors in coupled cluster theory calculations of solids. The outlined technique shares similarities with electronic structure factor interpolation methods used in quantum Monte Carlo calculations. However, our approach does not require the calculation of density matrices. Furthermore we show that the proposed finite size corrections achieve chemical accuracy in the convergence of second-order Møller-Plesset perturbation and coupled cluster singles and doubles correlation energies per atom for insulating solids with two atomic unit cells using 2 × 2 × 2 and 3 × 3 × 3 k-point meshes only.
Size-dependent reactions of ammonium bisulfate clusters with dimethylamine.
Bzdek, Bryan R; Ridge, Douglas P; Johnston, Murray V
2010-11-04
The reaction kinetics of ammonium bisulfate clusters with dimethylamine (DMA) gas were investigated using Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). Clusters ranged in size from 1 to 10 bisulfate ions. Although displacement of the first several ammonium ions by DMA occurred with near unit efficiency, displacement of the final ammonium ion was cluster size dependent. For small clusters, all ammonium ions are exposed to incoming DMA molecules, allowing for facile exchange ("surface" exchange). However, with increasing cluster size, an ammonium ion can be trapped in an inaccessible region of the cluster ("core" exchange), thereby rendering exchange difficult. DMA was also observed to add onto existing dimethylaminium bisulfate clusters above a critical size, whereas ammonia did not add onto ammonium bisulfate clusters. The results suggest that as the cluster size increases, di-dimethylaminium sulfate formation becomes more favorable. The results of this study give further evidence to suggest that ambient sub-3 nm diameter particles are likely to contain aminium salts rather than ammonium salts.
Size-dependent structural properties of quasi-one-dimensional silicon clusters
Energy Technology Data Exchange (ETDEWEB)
Umarova, F.T.; Normurodov, A.B. [Institute of Nuclear Physics, Academy of Sciences, Ulughbek, 102132 Tashkent (Uzbekistan); Turaeva, N.N. [Institute of Polymer Chemistry and Physics, Academy of Sciences, A. Kadyiri str. 7b, 100128 Tashkent (Uzbekistan)
2012-10-15
The family of quasi-one-dimensional silicon clusters of regular hexagonal prism form with the layer number n = 2-4 is investigated by the new quantum-chemical tight-binding method. The structural properties of the pristine and hydrogen-passivated clusters are studied as function of cluster sizes. The optimized geometries of clusters show that the layer sizes change with increasing the number of its. The middle layers widen in comparison to the top and bottom layers. The cluster Si{sub 18} trends to the fullerene-like form. Analysis of the quantum-chemical calculation results has been conducted in framework of the correlative approach of Wigner and virial theorem. Electron properties are studied separately for each layer. It has been shown that a distinction in radial compressing forces in different layers and dependence of the distinction values from the layer number (i.e. from cluster size) exist (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Cluster size dependence of high-order harmonic generation
Tao, Y.; Hagmeijer, R.; Bastiaens, H. M. J.; Goh, S. J.; van der Slot, P. J. M.; Biedron, S. G.; Milton, S. V.; Boller, K.-J.
2017-08-01
We investigate high-order harmonic generation (HHG) from noble gas clusters in a supersonic gas jet. To identify the contribution of harmonic generation from clusters versus that from gas monomers, we measure the high-order harmonic output over a broad range of the total atomic number density in the jet (from 3×1016 to 3 × 1018 {{cm}}-3) at two different reservoir temperatures (303 and 363 K). For the first time in the evaluation of the harmonic yield in such measurements, the variation of the liquid mass fraction, g, versus pressure and temperature is taken into consideration, which we determine, reliably and consistently, to be below 20% within our range of experimental parameters. By comparing the measured harmonic yield from a thin jet with the calculated corresponding yield from monomers alone, we find an increased emission of the harmonics when the average cluster size is less than 3000. Using g, under the assumption that the emission from monomers and clusters add up coherently, we calculate the ratio of the average single-atom response of an atom within a cluster to that of a monomer and find an enhancement of around 100 for very small average cluster size (∼200). We do not find any dependence of the cut-off frequency on the composition of the cluster jet. This implies that HHG in clusters is based on electrons that return to their parent ions and not to neighboring ions in the cluster. To fully employ the enhanced average single-atom response found for small average cluster sizes (∼200), the nozzle producing the cluster jet must provide a large liquid mass fraction at these small cluster sizes for increasing the harmonic yield. Moreover, cluster jets may allow for quasi-phase matching, as the higher mass of clusters allows for a higher density contrast in spatially structuring the nonlinear medium.
Quantum Size- Dependent Third- Order Nonlinear Optical Susceptibility in Semiconductor Quantum Dots
Institute of Scientific and Technical Information of China (English)
SUN Ting; XIONG Gui-guang
2005-01-01
The density matrix approach has been employed to investigate the optical nonlinear polarization in a single semiconductor quantum dot(QD). Electron states are considered to be confined within a quantum dot with infinite potential barriers. It is shown, by numerical calculation, that the third-order nonlinear optical susceptibilities for a typical Si quantum dot is dependent on the quantum size of the quantum dot and the frequency of incident light.
Synthesis and optical properties of quantum-size metal sulfide particles in aqueous solution
Energy Technology Data Exchange (ETDEWEB)
Nedeljkovic, J.M.; Patel, R.C.; Kaufman, P.; Joyce-Pruden, C.; O' Leary, N. (Clarkson Univ., Potsdam, NY (United States))
1993-04-01
During the past decade, small-particle' research has become quite popular in various fields of chemistry and physics. The recognition of quantum-size effects in very small colloidal particles has led to renewed interest in this area. Small particles' are clusters of atoms or molecules ranging in size from 1 nm to almost 10 nm or having agglomeration numbers from 10 up to a few hundred. In other words, small particles fall in size between single atoms or molecules and bulk materials. The agglomeration number specifies the number of individual atoms or molecules in a given cluster. The research in this area is interdisciplinary, and it links colloidal science and molecular chemistry. The symbiosis of these two areas of research has revealed some intriguing characteristics of small particles. This experiment illustrates the following: simple colloidal techniques for the preparation of two different types of quantum-size metal sulfide particles; the blue shift of the measured optical absorption spectra when the particle size is decreased in the quantum-size regime; and use of a simple quantum mechanical model to calculate the particle size from the absorption onset measured for CdS.
Finite-size modifications of the magnetic properties of clusters
DEFF Research Database (Denmark)
Hendriksen, Peter Vang; Linderoth, Søren; Lindgård, Per-Anker
1993-01-01
The spin-wave spectrum of Heisenberg spin clusters of various structures (bcc, fcc, and disordered) ranging in size between 9 and 749 spins is calculated by a self-consistent diagonalization of the equation of motion of S+ in real space. The spin-wave spectrum of the clusters is strongly modified...
Quantum broadcasting multiple blind signature with constant size
Xiao, Min; Li, Zhenli
2016-09-01
Using quantum homomorphic signature in quantum network, we propose a quantum broadcasting multiple blind signature scheme. Different from classical signature and current quantum signature schemes, the multi-signature proposed in our scheme is not generated by simply putting the individual signatures together, but by aggregating the individual signatures based on homomorphic property. Therefore, the size of the multi-signature is constant. Furthermore, based on a wide range of investigation for the security of existing quantum signature protocols, our protocol is designed to resist possible forgery attacks against signature and message from the various attack sources and disavowal attacks from participants.
Quantum-size-controlled photoelectrochemical etching of semiconductor nanostructures
Fischer, Arthur J.; Tsao, Jeffrey Y.; Wierer, Jr., Jonathan J.; Xiao, Xiaoyin; Wang, George T.
2016-03-01
Quantum-size-controlled photoelectrochemical (QSC-PEC) etching provides a new route to the precision fabrication of epitaxial semiconductor nanostructures in the sub-10-nm size regime. For example, quantum dots (QDs) can be QSC-PEC-etched from epitaxial InGaN thin films using narrowband laser photoexcitation, and the QD sizes (and hence bandgaps and photoluminescence wavelengths) are determined by the photoexcitation wavelength.
Determining the size-dependent structure of ligand-free gold-cluster ions.
Schooss, Detlef; Weis, Patrick; Hampe, Oliver; Kappes, Manfred M
2010-03-28
Ligand-free metal clusters can be prepared over a wide size range, but only in comparatively small amounts. Determining their size-dependent properties has therefore required the development of experimental methods that allow characterization of sample sizes comprising only a few thousand mass-selected particles under well-defined collision-free conditions. In this review, we describe the application of these methods to the geometric structural determination of Au(n)(+) and Au(n)(-) with n = 3-20. Geometries were assigned by comparing experimental data, primarily from ion-mobility spectrometry and trapped ion electron diffraction, to structural models from quantum chemical calculations.
Cluster-like coordinates in supersymmetric quantum field theory.
Neitzke, Andrew
2014-07-08
Recently it has become apparent that N = 2 supersymmetric quantum field theory has something to do with cluster algebras. I review one aspect of the connection: supersymmetric quantum field theories have associated hyperkähler moduli spaces, and these moduli spaces carry a structure that looks like an extension of the notion of cluster variety. In particular, one encounters the usual variables and mutations of the cluster story, along with more exotic extra variables and generalized mutations. I focus on a class of examples where the underlying cluster varieties are moduli spaces of flat connections on surfaces, as considered by Fock and Goncharov [Fock V, Goncharov A (2006) Publ Math Inst Hautes Études Sci 103:1-211]. The work reviewed here is largely joint with Davide Gaiotto and Greg Moore.
Dipole polarizabilities of medium-sized gold clusters
Wang, Jinlan; Yang, Mingli; Jellinek, Julius; Wang, Guanghou
2006-08-01
The dipole polarizabilities of two families of low-lying structures, cage, and space filling, of the medium-sized AuN (N=32,38,44,50,56) clusters are studied using gradient-corrected density functional theory and finite field method. Both dipole moments and polarizabilities exhibit clear shape-dependent features and the cage structures have systematically smaller dipole moments and larger polarizabilities than the space-filling isomers. The mean polarizability per atom increases with cluster size for the cage structures, but it decreases slowly and tends to approach a constant for the space-filling structures. A linearly correlation between polarizability and cluster volume is noted, complying with the jellium model prediction for spherical metal clusters. The electronic effects including HOMO-LUMO gap and ionization energy on polarizabilities are also explored. The geometric effects play a dominant role on the determination of the polarizability of the cluster over the electronic effects.
Catalysis applications of size-selected cluster deposition.
Energy Technology Data Exchange (ETDEWEB)
Vajda, Stefan; White, Michael G.
2015-12-01
In this Perspective, we review recent studies of size-selected cluster deposition for catalysis applications performed at the U.S. DOE National Laboratories, with emphasis on work at Argonne National Laboratory (ANL) and Brookhaven National Laboratory (BNL). The focus is on the preparation of model supported catalysts in which the number of atoms in the deposited clusters is precisely controlled using a combination of gas-phase cluster ion sources, mass spectrometry, and soft-landing techniques. This approach is particularly effective for investigations of small nanoclusters, 0.5-2 nm (<200 atoms), where the rapid evolution of the atomic and electronic structure makes it essential to have precise control over cluster size. Cluster deposition allows for independent control of cluster size, coverage, and stoichiometry (e.g., the metal-to-oxygen ratio in an oxide cluster) and can be used to deposit on any substrate without constraints of nucleation and growth. Examples are presented for metal, metal oxide, and metal sulfide cluster deposition on a variety of supports (metals, oxides, carbon/diamond) where the reactivity, cluster-support electronic interactions, and cluster stability and morphology are investigated. Both UHV and in situ/operando studies are presented that also make use of surface-sensitive X-ray characterization tools from synchrotron radiation facilities. Novel applications of cluster deposition to electrochemistry and batteries are also presented. This review also highlights the application of modern ab initio electronic structure calculations (density functional theory), which can essentially model the exact experimental system used in the laboratory (i.e., cluster and support) to provide insight on atomic and electronic structure, reaction energetics, and mechanisms. As amply demonstrated in this review, the powerful combination of atomically precise cluster deposition and theory is able to address fundamental aspects of size-effects, cluster
Scheme for Implementing Quantum Search Algorithm in a Cluster State Quantum Computer
Institute of Scientific and Technical Information of China (English)
ZHANG Da-Li; WANG Yan-Hui; ZHANG Yong
2008-01-01
Using cluster state and single qubit measurement one can perform the one-way quantum computation. Here we give a detailed scheme for realizing a modified Grover search algorithm using measurements on cluster state. We give the measurement pattern for the duster-state realization of the algorithm and estimated the number of measurement needed for its implementation. It is found that O(23n/2n2) number of single qubit measurements is required for its realization in a cluster-state quantum computer.
Polymorphism in magic-sized Au144(SR)60 clusters
Jensen, Kirsten M. Ø.; Juhas, Pavol; Tofanelli, Marcus A.; Heinecke, Christine L.; Vaughan, Gavin; Ackerson, Christopher J.; Billinge, Simon J. L.
2016-06-01
Ultra-small, magic-sized metal nanoclusters represent an important new class of materials with properties between molecules and particles. However, their small size challenges the conventional methods for structure characterization. Here we present the structure of ultra-stable Au144(SR)60 magic-sized nanoclusters obtained from atomic pair distribution function analysis of X-ray powder diffraction data. The study reveals structural polymorphism in these archetypal nanoclusters. In addition to confirming the theoretically predicted icosahedral-cored cluster, we also find samples with a truncated decahedral core structure, with some samples exhibiting a coexistence of both cluster structures. Although the clusters are monodisperse in size, structural diversity is apparent. The discovery of polymorphism may open up a new dimension in nanoscale engineering.
Quantum phase transition between cluster and antiferromagnetic states
Son, Wonmin; Fazio, Rosario; Hamma, Alioscia; Pascazio, Saverio; Vedral, Vlatko
2011-01-01
We study a Hamiltonian system describing a three spin-1/2 cluster-like interaction competing with an Ising-like exchange. We show that the ground state in the cluster phase possesses symmetry protected topological order. A continuous quantum phase transition occurs as result of the competition between the cluster and Ising terms. At the critical point the Hamiltonian is self-dual. The geometric entanglement is also studied. Our findings in one dimension corroborate the analysis of the two dimensional generalization of the system, indicating, at a mean field level, the presence of a direct transition between an antiferromagnetic and a valence bond solid ground state.
Plasmon enhanced silver quantum cluster fluorescence for biochemical applications
DEFF Research Database (Denmark)
Bernard, S.; Kutter, J.P.; Mogensen, Klaus Bo
2014-01-01
Fluorescence microscopy of individual silver quantum clusters on the surface of silver nanoparticles reveals strong photoactivated emission under blue light excitation [1-4]. In this work, silver nanoparticles are produced by annealing silver thin films deposited on a glass substrate and silver q...
Blockspin Scheme and Cluster Algorithm for Quantum Spin Systems
Ying, H P; Ying, He-Ping; Wiese, Uwe-Jens
1992-01-01
We present a numerical study using a cluster algorithm for the 1-d $S=1/2$ quantum Heisenberg models. The dynamical critical exponent for anti-ferromagnetic chains is $z=0.0(1)$ such that critical slowing down is eliminated.
The effect of cluster size variability on statistical power in cluster-randomized trials.
Directory of Open Access Journals (Sweden)
Stephen A Lauer
Full Text Available The frequency of cluster-randomized trials (CRTs in peer-reviewed literature has increased exponentially over the past two decades. CRTs are a valuable tool for studying interventions that cannot be effectively implemented or randomized at the individual level. However, some aspects of the design and analysis of data from CRTs are more complex than those for individually randomized controlled trials. One of the key components to designing a successful CRT is calculating the proper sample size (i.e. number of clusters needed to attain an acceptable level of statistical power. In order to do this, a researcher must make assumptions about the value of several variables, including a fixed mean cluster size. In practice, cluster size can often vary dramatically. Few studies account for the effect of cluster size variation when assessing the statistical power for a given trial. We conducted a simulation study to investigate how the statistical power of CRTs changes with variable cluster sizes. In general, we observed that increases in cluster size variability lead to a decrease in power.
Ordering Quantum Dot Clusters via Nematic Liquid Crystal Defects
Rodarte, Andrea; Pandolfi, R.; Hirst, L. S.; Ghosh, S.
2012-11-01
Nematic liquid crystal (LC) materials can be used to create ordered clusters of CdSe/ZnS core/shell quantum dots (QDs) from a homogeneous isotropic dispersion. At the phase transition, the ordered domains of nematic LC expel the majority of dispersed QDs into the isotropic domains. The final LC phase produces a series of QD clusters that are situated at the defect points of the liquid crystal texture. Lower concentrations of QDs are organized in a network throughout the LC matrix that originates from the LC phase transition. Inside the QD clusters the inter-particle distance enables efficient energy transfer from high energy dots to lower energy dots. Because the QD clusters form at defect sites, the location of the clusters can be preselected by seeding the LC cell with defect nucleation points.
High-performance dynamic quantum clustering on graphics processors
Energy Technology Data Exchange (ETDEWEB)
Wittek, Peter, E-mail: peterwittek@acm.org [Swedish School of Library and Information Science, University of Boras, Boras (Sweden)
2013-01-15
Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schroedinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up to two magnitudes over a multicore CPU implementation, which proves that quantum-like methods and acceleration by graphics processing units have a great relevance to machine learning.
Size of Defect Clusters in Lithium Niobate Single Crystals
Institute of Scientific and Technical Information of China (English)
无
2006-01-01
On the basis of the Li-site vacancy model, the non-stoichiometric defects in LN crystals, i.e., anti-site defects NbLi and corresponding lithium vacancy defects VLi, were investigated by the bond valence model. According to the valence sum rule, 4 VLi sites must emerge in the nearest lattices of NbLi, and thus form a neutral cluster with the center, NbLi(VLi)4Nb5O15. The bond graph of the defect cluster was given, which reveals the ideal chemical bonding characteristics of defect clusters. Combining the possible configuration of defect clusters and the ideal bond lengths in the bond graph, the size of defect clusters in the LN crystallographic frame is estimated as 0.9～1.2 nm in diameter.
Pinning control of clustered complex networks with different size
Fu, Chenbo; Wang, Jinbao; Xiang, Yun; Wu, Zhefu; Yu, Li; Xuan, Qi
2017-08-01
In pinning control of complex networks, it is found that, with the same pinning effort, the network can be better controlled by pinning the large-degree nodes. But in the clustered complex networks, this preferential pinning (PP) strategy is losing its effectiveness. In this paper, we demonstrate that in the clustered complex networks, especially when the clusters have different size, the random pinning (RP) strategy performs much better than the PP strategy. Then, we propose a new pinning strategy based on cluster degree. It is revealed that the new cluster pinning strategy behaves better than RP strategy when there are only a smaller number of pinning nodes. The mechanism is studied by using eigenvalue and eigenvector analysis, and the simulations of coupled chaotic oscillators are given to verify the theoretical results. These findings could be beneficial for the design of control schemes in some practical systems.
Cluster-size dependent randomization traffic flow model
Institute of Scientific and Technical Information of China (English)
Gao Kun; Wang Bing-Hong; Fu Chuan-Ji; Lu Yu-Feng
2007-01-01
In order to exhibit the meta-stable states, several slow-to-start rules have been investigated as modification to Nagel-Schreckenberg (NS) model. These models can reproduce some realistic phenomena which are absent in the original NS model. But in these models, the size of cluster is still not considered as a useful parameter. In real traffic,the slow-to-start motion of a standing vehicle often depends on the degree of congestion which can be measured by the clusters'size. According to this idea, we propose a cluster-size dependent slow-to-start model based on the speeddependent slow-to-start rule (VDR) model. It gives expected results through simulations. Comparing with the VDR model, our new model has a better traffic efficiency and shows richer complex characters.
Mining the Shirt Sizes for Indian Men by Clustered Classification
Directory of Open Access Journals (Sweden)
Kumaravel Appavoo
2012-06-01
Full Text Available In garment production engineering, sizing system plays an important role for manufacturing of clothing. The standards for defining the size label are a critical issue. Locating the right garment size for a customer depends on the label as an interface. In this research work intend to approach that it could be used for developing sizing systems by data mining techniques applied to Indian anthropometric dataset. We propose a new approach of two-stage data mining procedure for labelling the shirt types exclusively for Indian men. In the first stage , clustering technique applied on the original dataset, to categorise the size labels. Then these clusters are used for supervised learning in the second stage for classification. A sizing system classifies a specific population into homogeneous subgroups based on some key body dimensions. The space with these dimensions gives raise to complexity for finding uniform standards. This enables us to have an interface as a communication tool among manufacturers, retailers and consumers. This sizing system is developed for the men’s age ranges between 25 and 66 years. Main attribute happens to be the chest size as clearly visible in the data set. We have obtained classifications for men’s shirt attributes based on clustering techniques.
Quantum size effects in InP inner film fiber
Institute of Scientific and Technical Information of China (English)
WANG Ting-yun; WANG Ke-xin; LU Jun
2005-01-01
Based on the semiconductor amplifiing properties and the structure of optical fiber wave guide an InP inner fiber is developed.The InP inner film fiber can be employed as a small size,broadband,and ultra-short fiber amplifier.The quantum size effects of the fiber are emphatically investigated in the work.Using the experimental data,we compare the effective mass approximation (EMA) with effective parameterization within the tight binding (EPTB) models for the accurate description of the quantum size effects in InP.The results show that the EPTB model provides an excellent description of band gap variation over a wide range of sizes.The Bohr diameter and the effective Rydberg energy of InP are calculated.Finally,the amplifiing properties of the InP inner film fiber are discussed due to the quantum size effects.
Quantum fluctuation effects on nuclear fragment and atomic cluster formation
Energy Technology Data Exchange (ETDEWEB)
Ohnishi, Akira [Hokkaido Univ., Sapporo (Japan). Dept. of Physics; Randrup, J.
1997-05-01
We investigate the nuclear fragmentation and atomic cluster formation by means of the recently proposed quantal Langevin treatment. It is shown that the effect of the quantal fluctuation is in the opposite direction in nuclear fragment and atomic cluster size distribution. This tendency is understood through the effective classical temperature for the observables. (author)
Roy, Subhasish; Baral, Abhishek; Bhattacharjee, Rameswar; Jana, Batakrishna; Datta, Ayan; Ghosh, Surajit; Banerjee, Arindam
2015-02-07
Blue, green, orange-red, red and NIR emitting gold quantum clusters have been prepared in aqueous media by using a bioactive peptide glutathione (reduced) at physiological pH. Matrix-assisted laser desorption ionization-time-of-flight mass spectrometry (MALDI-TOF MS) analyses show that the core structure sizes of the five different gold clusters are Au7 (blue), Au16 (green), Au19 (orange-red), Au21 (red) and Au22 (NIR). The photo-stability and pH-stability of these quantum clusters have been measured, and these are photo-stable against continuous UV irradiation for a few hours. They also exhibit moderate to good pH-stability within the pH range of 5-12.5. A computational study reveals the organisation of gold atoms in the thiolate-protected blue quantum cluster and its several structural parameters, including the mode of interaction of ligand molecules with Au atoms in the Au7 cluster. Interestingly, it has been found that NIR emitting gold quantum cluster can easily be internalized into the adenocarcinomic human alveolar basal epithelial cell line (A549 cell line). Moreover, a MTT assay indicates that our NIR emitting gold quantum cluster show very low cytotoxicy to A549 cancer cells.
Finite data-size scaling of clustering in earthquake networks
Abe, Sumiyoshi; Suzuki, Norikazu
2010-01-01
Earthquake network introduced in the work [S. Abe and N. Suzuki, Europhys.Lett. 65, 581 (2004)] is known to be of the small-world type. The values of the network characteristics, however, depend not only on the cell size (i.e., the scale of coarse graining needed for constructing the network) but also on the size of a seismic data set. Here, discovery of a scaling law for the clustering coefficient in terms of the data size, which is refereed to here as finite data-size scaling, is reported. Its universality is shown to be supported by the detailed analysis of the data taken from California, Japan, and Iran.
Quantum discord in spin-cluster materials
Yurischev, M A
2011-01-01
The total quantum correlation (discord) in Heisenberg dimers is expressed via the spin-spin correlation function, internal energy, specific heat or magnetic susceptibility. This allows one to indirectly measure the discord through neutron scattering, as well as calorimetric or magnetometric experiments. Using the available experimental data, we found the discord for a number of binuclear Heisenberg substances with both antiferro- and ferromagnetic interactions. For the dimerized antiferromagnet copper nitrate Cu(NO_3)_2*2.5H_2O, the three independent experimental methods named above lead to a discord of approximately 0.2-0.3 bit/dimer at a temperature of 4 K. We also determined the temperature behavior of discord for hydrated and anhydrous copper acetates, as well as for the ferromagnetic binuclear copper acetate complex [Cu_2L(OAc)]*6H_2O, where L is a ligand.
Quantum phenomena in magnetic nano clusters
Indian Academy of Sciences (India)
C Raghu; Indranil Rudra; Diptiman Sen; S Ramasesha
2001-10-01
One of the fascinating fields of study in magnetism in recent years has been the study of quantum phenomena in nanosystems. While semiconductor structures have provided paradigms of nanosystems from the stand point of electronic phenomena, the synthesis of high nuclearity transition metal complexes have provided examples of nano magnets. The range and diversity of the properties exhibited by these systems rivals its electronic counterparts. Qualitative understanding of these phenomena requires only a knowledge of basic physics, but quantitative study throws up many challenges that are similar to those encountered in the study of correlated electronic systems. In this article, a brief overview of the current trends in this area are highlighted and some of the efforts of our group in developing a quantitative understanding of this field are outlined.
Quantum size effects in spherical semiconductor microcrystals
Nair, Selvakumar V.; Sinha, Sucharita; Rustagi, K. C.
1987-03-01
The size dependence of the lowest electron-hole state in semiconductor microcrystals is calculated using the variational principle with a three-parameter Hylleraas-type wave function. For very small particles the Coulomb interaction may be treated as a perturbation. For larger particles the size dependence of the energy is much sharper than that expected in previous work.
Formation of fe cluster superlattice in a metal-organic quantum-box network.
Pivetta, Marina; Pacchioni, Giulia E; Schlickum, Uta; Barth, Johannes V; Brune, Harald
2013-02-22
We report on the self-assembly of Fe adatoms on a Cu(111) surface that is patterned by a metal-organic honeycomb network, formed by coordination of dicarbonitrile pentaphenyl molecules with Cu adatoms. Fe atoms landing on the metal surface are mobile and steered by the quantum confinement of the surface state electrons towards the center of the network hexagonal cavities. In cavities hosting more than one Fe, preferential interatomic distances are observed. The adatoms in each hexagon aggregate into a single cluster upon gentle annealing. These clusters are again centered in the cavities and their size is discerned by their distinct apparent heights.
Femtosecond Excited State Dynamics of Size Selected Neutral Molecular Clusters.
Montero, Raúl; León, Iker; Fernández, José A; Longarte, Asier
2016-07-21
The work describes a novel experimental approach to track the relaxation dynamics of an electronically excited distribution of neutral molecular clusters formed in a supersonic expansion, by pump-probe femtosecond ionization. The introduced method overcomes fragmentation issues and makes possible to retrieve the dynamical signature of a particular cluster from each mass channel, by associating it to an IR transition of the targeted structure. We have applied the technique to study the nonadiabatic relaxation of pyrrole homoclusters. The results obtained exciting at 243 nm, near the origin of the bare pyrrole electronic absorption, allow us to identify the dynamical signature of the dimer (Py)2, which exhibits a distinctive lifetime of τ1 ∼ 270 fs, considerably longer than the decays recorded for the monomer and bigger size clusters (Py)n>2. A possible relationship between the measured lifetime and the clusters geometries is tentatively discussed.
Highly Charged Clusters of Fullerenes: Charge Mobility and Appearance Sizes
Manil, B.; Maunoury, L.; Huber, B. A.; Jensen, J.; Schmidt, H. T.; Zettergren, H.; Cederquist, H.; Tomita, S.; Hvelplund, P.
2003-11-01
Clusters of fullerenes (C60,C70)n are produced in a gas aggregation source and are multiply ionized in collisions with highly charged Xe20+,30+ ions. Their stabilities and decay processes are analyzed with high-resolution time-of-flight mass spectrometry. Fullerene clusters in charge states up to q=5 have been observed and appearance sizes are found to be as small as napp=5, 10, 21, and 33 for q=2, 3, 4, and 5, respectively. The analysis of the multicoincident fragmentation spectra indicates a high charge mobility. This is in contrast to charge localization effects which have been reported for Arq+n rare gas clusters. Clusters of fullerenes are found to be conducting when multiply charged.
Photo-induced brightening and broadening effects of gold quantum clusters
Huang, Hsiu-Ying; Lin, Chia-Hui; Lin, Cheng-An J.
2016-04-01
We describe the use of UV light under different radiation time induces a variety of fluorescence wavelength of gold quantum clusters. First, we synthesize blue-emitted gold quantum clusters by dissolving the gold trichloride in pure toluene. To simplify the expression, we assume that the several featured PL peak (425, 450, 470 nm) is the signal for blue-emitted gold quantum clusters. Undergo UV irradiation can brighten and broaden the PL spectra of gold quantum clusters, which are observed by the evolutional spectra versus exposure time. After UV light exposure, the major population of gold quantum clusters @425nm decreased and turned to gold quantum clusters@450nm, followed by the growing population of gold quantum clusters@470nm clusters. Until 2 hour exposure, the spectra become broad with major peak shifted to 525 nm. The tunable spectra from blue to green attributes to the induced growth of gold quantum clusters by UV irradiation. The UV energy indeed tunes and broadens the emission covering the whole visible-spectra range. Finally, we also utilize via proper selection of organic surfactant (such as: trioctyl phosphine, TOP) can coordinate the quantum yield enhancement of blue-emitted gold quantum clusters under UV irradiation. The experiment method is easily for gold quantum clusters synthesis. Thus we expect this materials can be developed for fluorescence labeling application in the future.
Method for discovering relationships in data by dynamic quantum clustering
Energy Technology Data Exchange (ETDEWEB)
Weinstein, Marvin; Horn, David
2014-10-28
Data clustering is provided according to a dynamical framework based on quantum mechanical time evolution of states corresponding to data points. To expedite computations, we can approximate the time-dependent Hamiltonian formalism by a truncated calculation within a set of Gaussian wave-functions (coherent states) centered around the original points. This allows for analytic evaluation of the time evolution of all such states, opening up the possibility of exploration of relationships among data-points through observation of varying dynamical-distances among points and convergence of points into clusters. This formalism may be further supplemented by preprocessing, such as dimensional reduction through singular value decomposition and/or feature filtering.
Method for discovering relationships in data by dynamic quantum clustering
Weinstein, Marvin; Horn, David
2014-10-28
Data clustering is provided according to a dynamical framework based on quantum mechanical time evolution of states corresponding to data points. To expedite computations, we can approximate the time-dependent Hamiltonian formalism by a truncated calculation within a set of Gaussian wave-functions (coherent states) centered around the original points. This allows for analytic evaluation of the time evolution of all such states, opening up the possibility of exploration of relationships among data-points through observation of varying dynamical-distances among points and convergence of points into clusters. This formalism may be further supplemented by preprocessing, such as dimensional reduction through singular value decomposition and/or feature filtering.
Method for discovering relationships in data by dynamic quantum clustering
Energy Technology Data Exchange (ETDEWEB)
Weinstein, Marvin; Horn, David
2017-05-09
Data clustering is provided according to a dynamical framework based on quantum mechanical time evolution of states corresponding to data points. To expedite computations, we can approximate the time-dependent Hamiltonian formalism by a truncated calculation within a set of Gaussian wave-functions (coherent states) centered around the original points. This allows for analytic evaluation of the time evolution of all such states, opening up the possibility of exploration of relationships among data-points through observation of varying dynamical-distances among points and convergence of points into clusters. This formalism may be further supplemented by preprocessing, such as dimensional reduction through singular value decomposition and/or feature filtering.
Quantum broadcast scheme and multi-output quantum teleportation via four-qubit cluster state
Yu, Yan; Zha, Xin Wei; Li, Wei
2017-02-01
In this paper, two theoretical schemes of the arbitrary single-qubit states via four-qubit cluster state are proposed. One is three-party quantum broadcast scheme, which realizes the broadcast among three participants. The other is multi-output quantum teleportation. Both allow two distant receivers to simultaneously and deterministically obtain the arbitrary single-qubit states, respectively. Compared with former schemes of an arbitrary single-qubit state, the proposed schemes realize quantum multi-cast communication efficiently, which enables Bob and Charlie to obtain the states simultaneously in the case of just knowing Alice's measurement results. The proposed schemes play an important role in quantum information, specially in secret sharing and quantum teleportation.
Clusters, Quantum Confinement and Energy Storage
Connerade, Jean-Patrick
One of the challenges posed by the demand for clean urban transportation is the compact and cyclically recoverable storage of energy in quantities sufficient for propulsion. Promising routes, such as the reversible insertion of Li+ ions inside solids for `rocking chair' batteries, require a deformable host material with no irreversibility. Such `soft' deformations are in general highly complex, but the compressibility of atoms or larger systems can be studied directly in situations with simpler symmetry. Thus, the search for `soft' materials leads one to consider certain types of cluster, as well as linear or nearly-spherical structures (chains of metallofullerenes, for example) whose deformations can be computed from the Schrodinger equation. Extended or `giant' atomic models allow one to construct compression-dilation cycles analogous in a rough sense to the Carnot cycle of classical thermodynamics. This simplified approach suggests that, even for idealised systems, there are constraints on the reversible storage and recovery of energy, and that (when applied to realistic structures) modelling based on such principles might help in the selection of appropriate materials.
Clusters in Intense XUV pulses: effects of cluster size on expansion dynamics and ionization
Ackad, Edward; Briggs, Kyle; Ramunno, Lora
2010-01-01
We examine the effect of cluster size on the interaction of Ar$_{55}$-Ar$_{2057}$ with intense extreme ultraviolet (XUV) pulses, using a model we developed earlier that includes ionization via collisional excitation as an intermediate step. We find that the dynamics of these irradiated clusters is dominated by collisions. Larger clusters are more highly collisional, produce higher charge states, and do so more rapidly than smaller clusters. Higher charge states produced via collisions are found to reduce the overall photon absorption, since charge states of Ar$^{2+}$ and higher are no longer photo-accessible. We call this mechanism \\textit{collisionally reduced photoabsorption}, and it decreases the effective cluster photoabsorption cross-section by more than 30% for Ar$_{55}$ and 45% Ar$_{2057}$. compared to gas targets with the same number of atoms. An investigation of the shell structure soon after the laser interaction shows an almost uniformly charged core with a modestly charged outer shell which evolve...
The formation of acetylcholine receptor clusters visualized with quantum dots
Directory of Open Access Journals (Sweden)
Peng H Benjamin
2009-07-01
Full Text Available Abstract Background Motor innervation of skeletal muscle leads to the assembly of acetylcholine receptor (AChR clusters in the postsynaptic membrane at the vertebrate neuromuscular junction (NMJ. Synaptic AChR aggregation, according to the diffusion-mediated trapping hypothesis, involves the establishment of a postsynaptic scaffold that "traps" freely diffusing receptors into forming high-density clusters. Although this hypothesis is widely cited to explain the formation of postsynaptic AChR clusters, direct evidence at molecular level is lacking. Results Using quantum dots (QDs and live cell imaging, we provide new measurements supporting the diffusion-trap hypothesis as applied to AChR cluster formation. Consistent with published works, experiments on cultured Xenopus myotomal muscle cells revealed that AChRs at clusters that formed spontaneously (pre-patterned clusters, also called hot spots and at those induced by nerve-innervation or by growth factor-coated latex beads were very stable whereas diffuse receptors outside these regions were mobile. Moreover, despite the restriction of AChR movement at sites of synaptogenic stimulation, individual receptors away from these domains continued to exhibit free diffusion, indicating that AChR clustering at NMJ does not involve an active attraction of receptors but is passive and diffusion-driven. Conclusion Single-molecular tracking using QDs has provided direct evidence that the clustering of AChRs in muscle cells in response to synaptogenic stimuli is achieved by two distinct cellular processes: the Brownian motion of receptors in the membrane and their trapping and immobilization at the synaptic specialization. This study also provides a clearer picture of the "trap" that it is not a uniformly sticky area but consists of discrete foci at which AChRs are immobilized.
Calculating sample sizes for cluster randomized trials: we can keep it simple and efficient !
van Breukelen, Gerard J.P.; Candel, Math J.J.M.
2012-01-01
Objective: Simple guidelines for efficient sample sizes in cluster randomized trials with unknown intraclass correlation and varying cluster sizes. Methods: A simple equation is given for the optimal number of clusters and sample size per cluster. Here, optimal means maximizing power for a given
Model catalysis by size-selected cluster deposition
Energy Technology Data Exchange (ETDEWEB)
Anderson, Scott [Univ. of Utah, Salt Lake City, UT (United States)
2015-11-20
This report summarizes the accomplishments during the last four years of the subject grant. Results are presented for experiments in which size-selected model catalysts were studied under surface science and aqueous electrochemical conditions. Strong effects of cluster size were found, and by correlating the size effects with size-dependent physical properties of the samples measured by surface science methods, it was possible to deduce mechanistic insights, such as the factors that control the rate-limiting step in the reactions. Results are presented for CO oxidation, CO binding energetics and geometries, and electronic effects under surface science conditions, and for the electrochemical oxygen reduction reaction, ethanol oxidation reaction, and for oxidation of carbon by water.
Multivariate image segmentation with cluster size insensitive Fuzzy C-means
Noordam, J.C.; Broek, van den W.H.A.M.; Buydens, L.M.C.
2002-01-01
This paper describes a technique to overcome the sensitivity of fuzzy C-means clustering for unequal cluster sizes in multivariate images. As FCM tends to balance the number of points in each cluster, cluster centres of smaller clusters are drawn to larger adjacent clusters. In order to overcome
Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics
Wu, Zhigang; Allendorf, Mark; Grossman, Jeffrey
2010-03-01
We calculated the desorption energy of MgH2 clusters using the quantum Monte Carlo (QMC) approach, which can provide desorption energies with chemical accuracy (within 1 kcal/mol) and therefore a valuable benchmark for such hydrogen-storage simulations. Compared with these QMC results, the widely used density-functional-theory (DFT) computations cannot reach a consistent and suitable level of accuracy across the thermodynamically tunable range for MgH2 clusters, for a wide range of exchange-correlation functionals. Furthermore, our QMC calculations show that the DFT error depends substantially on cluster size. These results suggest that in simulating metal-hydride systems it is crucial to apply accurate methods that go beyond traditional mean-field approaches as a benchmark of their performance for a given material, and QMC is an appealing method for such a benchmark due to its high level of accuracy and favorable scaling (N^3) with number of electrons.
Electric field engineering using quantum-size-effect-tuned heterojunctions
Adinolfi, V.
2013-07-03
A quantum junction solar cell architecture was recently reported that employs colloidal quantum dots (CQDs) on each side of the p-n junction. This architecture extends the range of design opportunities for CQD photovoltaics, since the bandgap can be tuned across the light-absorbing semiconductor layer via control over CQD size, employing solution-processed, room-temperature fabricated materials. We exploit this feature by designing and demonstrating a field-enhanced heterojunction architecture. We optimize the electric field profile within the solar cell through bandgap engineering, thereby improving carrier collection and achieving an increased open circuit voltage, resulting in a 12% improvement in power conversion efficiency.
Field emission from quantum size GaN structures
Yilmazoglu, O.; Pavlidis, D.; Litvin, Yu. M.; Hubbard, S.; Tiginyanu, I. M.; Mutamba, K.; Hartnagel, H. L.; Litovchenko, V. G.; Evtukh, A.
2003-12-01
Whisker structures and quantum dots fabricated by photoelectrochemical (PEC) etching of undoped and doped metalorganic chemical vapor deposition (MOCVD)-grown GaN (2×10 17 or 3×10 18 cm -3) are investigated in relation with their field-emission characteristics. Different surface morphologies, corresponding to different etching time and photocurrent, results in different field-emission characteristics with low turn-on voltage down to 4 V/μm and the appearance of quantum-size effect in the I- V curves.
Field emission from quantum size GaN structures
Energy Technology Data Exchange (ETDEWEB)
Yilmazoglu, O.; Pavlidis, D.; Litvin, Yu.M.; Hubbard, S.; Tiginyanu, I.M.; Mutamba, K.; Hartnagel, H.L.; Litovchenko, V.G.; Evtukh, A
2003-12-30
Whisker structures and quantum dots fabricated by photoelectrochemical (PEC) etching of undoped and doped metalorganic chemical vapor deposition (MOCVD)-grown GaN (2x10{sup 17} or 3x10{sup 18} cm{sup -3}) are investigated in relation with their field-emission characteristics. Different surface morphologies, corresponding to different etching time and photocurrent, results in different field-emission characteristics with low turn-on voltage down to 4 V/{mu}m and the appearance of quantum-size effect in the I-V curves.
Electric field engineering using quantum-size-effect-tuned heterojunctions
Adinolfi, V.; Ning, Z.; Xu, J.; Masala, S.; Zhitomirsky, D.; Thon, S. M.; Sargent, E. H.
2013-07-01
A quantum junction solar cell architecture was recently reported that employs colloidal quantum dots (CQDs) on each side of the p-n junction. This architecture extends the range of design opportunities for CQD photovoltaics, since the bandgap can be tuned across the light-absorbing semiconductor layer via control over CQD size, employing solution-processed, room-temperature fabricated materials. We exploit this feature by designing and demonstrating a field-enhanced heterojunction architecture. We optimize the electric field profile within the solar cell through bandgap engineering, thereby improving carrier collection and achieving an increased open circuit voltage, resulting in a 12% improvement in power conversion efficiency.
Cluster size dependence of high-order harmonic generation
Tao, Y; Bastiaens, H M J; van der Slot, P J M; Biedron, S G; Milton, S V; Boller, K -J
2016-01-01
We investigate high-order harmonic generation (HHG) from noble gas clusters in a supersonic gas jet. To identify the contribution of harmonic generation from clusters versus that from gas monomers, we measure the high-order harmonic output over a broad range of the total atomic number density in the jet (from 3x10^{16} cm^{-3} to 3x10^{18} cm^{-3}) at two different reservoir temperatures (303 K and 363 K). For the first time in the evaluation of the harmonic yield in such measurements, the variation of the liquid mass fraction, g, versus pressure and temperature is taken into consideration, which we determine, reliably and consistently, to be below 20% within our range of experimental parameters. Based on measurements with a thin jet where significant variations in reabsorption and the phase matching conditions can be neglected, we conclude that atoms in the form of small clusters (average cluster size < 1000 atoms) provide the same higher-order nonlinear response as single-atoms. This implies that HHG in ...
Universal clusters as building blocks of stable quantum matter
Endo, Shimpei; García-García, Antonio M.; Naidon, Pascal
2016-05-01
We present an exploratory study that suggests that Efimov physics, a leading research theme in few-body quantum physics, can also induce stable many-body ground states whose building blocks are universal clusters. We identify a range of parameters in a mass-and-density-imbalanced two-species fermionic mixture for which the ground state is a gas of Efimov-related universal trimers. An explicit calculation of the trimer-trimer interaction reveals that the trimer phase is an SU(3) Fermi liquid stable against recombination losses. We propose to experimentally observe this phase in a fermionic 53Cr-6Li mixture.
Finite Size Effects in Chemical Bonding: From Small Clusters to Solids
DEFF Research Database (Denmark)
Kleis, Jesper; Greeley, Jeffrey Philip; Romero, N. A.
2011-01-01
We address the fundamental question of which size a metallic nano-particle needs to have before its surface chemical properties can be considered to be those of a solid, rather than those of a large molecule. Calculations of adsorption energies for carbon monoxide and oxygen on a series of gold n......). Below that critical size, finite-size effects can be observed, and we show those to be related to variations in the local atomic structure augmented by quantum size effects for the smallest clusters.......We address the fundamental question of which size a metallic nano-particle needs to have before its surface chemical properties can be considered to be those of a solid, rather than those of a large molecule. Calculations of adsorption energies for carbon monoxide and oxygen on a series of gold...... nanoparticles ranging from 13 to 1,415 atoms, or 0.8–3.7 nm, have been made possible by exploiting massively parallel computing on up to 32,768 cores on the Blue Gene/P computer at Argonne National Laboratory. We show that bulk surface properties are obtained for clusters larger than ca. 560 atoms (2.7 nm...
Low-energy collisions of helium clusters with size-selected cobalt cluster ions
Odaka, Hideho; Ichihashi, Masahiko
2017-04-01
Collisions of helium clusters with size-selected cobalt cluster ions, Com+ (m ≤ 5), were studied experimentally by using a merging beam technique. The product ions, Com+Hen (cluster complexes), were mass-analyzed, and this result indicates that more than 20 helium atoms can be attached onto Com+ at the relative velocities of 103 m/s. The measured size distributions of the cluster complexes indicate that there are relatively stable complexes: Co2+Hen (n = 2, 4, 6, and 12), Co3+Hen (n = 3, 6), Co4+He4, and Co5+Hen (n = 3, 6, 8, and 10). These stabilities are explained in terms of their geometric structures. The yields of the cluster complexes were also measured as a function of the relative velocity (1 × 102-4 × 103 m/s), and this result demonstrates that the main interaction in the collision process changes with the increase of the collision energy from the electrostatic interaction, which includes the induced deformation of HeN, to the hard-sphere interaction. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80015-0
Spatial separation of state- and size-selected neutral clusters
Trippel, Sebastian; Stern, Stephan; Mullins, Terry; Holmegaard, Lotte; Küpper, Jochen
2012-01-01
We demonstrate the spatial separation of the prototypical indole(H2O) clusters from the various species present in the supersonic expansion of mixtures of indole and water. The major molecular constituents of the resulting molecular beam are H2O, indole, indole(H2O), and indole(H2O)2. It is a priori not clear whether such floppy systems are amenable to strong manipulation using electric fields. Here, we have exploited the cold supersonic molecular beam and the electrostatic deflector to separate indole(H2O) from the other molecular species as well as the helium seed gas. The experimental results are quantitatively explained by trajectory simulations, which also demonstrate that the quantum-state selectivity of the process leads to samples of indole(H2O) in low-lying rotational states. The prepared clean samples of indole(H2O) are ideally suited for investigations of the stereodynamics of this complex system, including time-resolved half-collision and diffraction experiments of fixed-in-space clusters. Our fin...
Quantum Size Effects on Two Electrons and Two Holes in Double-Layer Quantum Dots
Institute of Scientific and Technical Information of China (English)
XIE Wen-Fang; ZHU Wu
2002-01-01
We propose a procedure to solve exactly the Schrodinger equation for a system of two electrons and two holes in a double-layer quantum dot by using the method of few-body physics. The features of the low-lying spectra have been deduced based on symmetry. The binding energies of the ground state are obtained as a function of the electron-to-hole mass ratio σ for a few values of the quantum dot size.
Cai, Ang; Pixley, Jedediah; Si, Qimiao
Heavy fermion metals represent a canonical system to study superconductivity driven by quantum criticality. We are particularly motivated by the properties of CeRhIn5, which shows the characteristic features of a Kondo destruction quantum critical point (QCP) in its normal state, and has one of the highest Tc's among the heavy fermion superconductors. As a first step to study this problem within a cluster-EDMFT approach, we analyze a four-site Anderson impurity model with the antiferromagnetic spin component of the cluster coupled to a sub-Ohmic bosonic bath. We find a QCP that belongs to the same universality class as the single-site Bose-Fermi Anderson model. Together with previous work on a two-site model, our result suggests that the Kondo destruction QCP is robust as cluster size increases. More importantly, we are able to calculate the d-wave pairing susceptibility, which we find to be enhanced near the QCP. Using this model as the effective cluster model of the periodic Anderson model, we are also able to study the superconducting pairing near the Kondo-destruction QCP of the lattice model; preliminary results will be presented.
Demonstration of Cluster State Shaping and Quantum Erasure for Continuous Variables
Miwa, Yoshichika; Yoshikawa, Jun-ichi; Filip, Radim; van Loock, Peter; Furusawa, Akira
2010-01-01
We demonstrate experimentally how to remove an arbitrary node from a continuous-variable cluster state and how to shorten any quantum wires of such a state. These two basic operations, performed in an unconditional fashion, are a manifestation of quantum erasure and can be employed to obtain various graph states from an initial cluster state. Starting with a sufficiently large cluster, the resulting graph states can then be used for universal quantum information processing. In the experiment, all variations of this cluster-shaping are demonstrated on a four-mode linear cluster state through homodyne measurements and feedforward.
Loop quantum gravity and Planck-size black hole entropy
Corichi, A; Fernandez-Borja, E; Corichi, Alejandro; Diaz-Polo, Jacobo; Fernandez-Borja, Enrique
2007-01-01
The Loop Quantum Gravity (LQG) program is briefly reviewed and one of its main applications, namely the counting of black hole entropy within the framework is considered. In particular, recent results for Planck size black holes are reviewed. These results are consistent with an asymptotic linear relation (that fixes uniquely a free parameter of the theory) and a logarithmic correction with a coefficient equal to -1/2. The account is tailored as an introduction to the subject for non-experts.
Loop quantum gravity and Planck-size black hole entropy
Energy Technology Data Exchange (ETDEWEB)
Corichi, Alejandro [Instituto de Matematicas, Unidad Morelia, Universidad Nacional Autonoma de Mexico, UNAM-Campus Morelia, A. Postal 61-3, Morelia, Michoacan 58090 (Mexico); Diaz-Polo, Jacobo [Departamento de AstronomIa y AstrofIsica, Universidad de Valencia, Burjassot-46100, Valencia (Spain); Fernandez-Borja, Enrique [Departamento de Fisica Teorica and IFIC, Centro Mixto Universidad de Valencia-CSIC. Universidad de Valencia, Burjassot-46100, Valencia (Spain)
2007-05-15
The Loop Quantum Gravity (LQG) program is briefly reviewed and one of its main applications, namely the counting of black hole entropy within the framework is considered. In particular, recent results for Planck size black holes are reviewed. These results are consistent with an asymptotic linear relation (that fixes uniquely a free parameter of the theory) and a logarithmic correction with a coefficient equal to -1/2. The account is tailored as an introduction to the subject for non-experts.
A new method to prepare colloids of size-controlled clusters from a matrix assembly cluster source
Cai, Rongsheng; Jian, Nan; Murphy, Shane; Bauer, Karl; Palmer, Richard E.
2017-05-01
A new method for the production of colloidal suspensions of physically deposited clusters is demonstrated. A cluster source has been used to deposit size-controlled clusters onto water-soluble polymer films, which are then dissolved to produce colloidal suspensions of clusters encapsulated with polymer molecules. This process has been demonstrated using different cluster materials (Au and Ag) and polymers (polyvinylpyrrolidone, polyvinyl alcohol, and polyethylene glycol). Scanning transmission electron microscopy of the clusters before and after colloidal dispersion confirms that the polymers act as stabilizing agents. We propose that this method is suitable for the production of biocompatible colloids of ultraprecise clusters.
Lieb-Liniger-like model of quantum solvation in CO-(4)HeN clusters.
Farrelly, D; Iñarrea, M; Lanchares, V; Salas, J P
2016-05-28
Small (4)He clusters doped with various molecules allow for the study of "quantum solvation" as a function of cluster size. A peculiarity of quantum solvation is that, as the number of (4)He atoms is increased from N = 1, the solvent appears to decouple from the molecule which, in turn, appears to undergo free rotation. This is generally taken to signify the onset of "microscopic superfluidity." Currently, little is known about the quantum mechanics of the decoupling mechanism, mainly because the system is a quantum (N + 1)-body problem in three dimensions which makes computations difficult. Here, a one-dimensional model is studied in which the (4)He atoms are confined to revolve on a ring and encircle a rotating CO molecule. The Lanczos algorithm is used to investigate the eigenvalue spectrum as the number of (4)He atoms is varied. Substantial solvent decoupling is observed for as few as N = 5 (4)He atoms. Examination of the Hamiltonian matrix, which has an almost block diagonal structure, reveals increasingly weak inter-block (solvent-molecule) coupling as the number of (4)He atoms is increased. In the absence of a dopant molecule the system is similar to a Lieb-Liniger (LL) gas and we find a relatively rapid transition to the LL limit as N is increased. In essence, the molecule initially-for very small N-provides a central, if relatively weak, attraction to organize the cluster; as more (4)He atoms are added, the repulsive interactions between the identical bosons start to dominate as the solvation ring (shell) becomes more crowded which causes the molecule to start to decouple. For low N, the molecule pins the atoms in place relative to itself; as N increases the atom-atom repulsion starts to dominate the Hamiltonian and the molecule decouples. We conclude that, while the notion of superfluidity is a useful and correct description of the decoupling process, a molecular viewpoint provides complementary insights into the quantum mechanism of the transition from a
Clustering of Ions at Atomic-Dimensions in Quantum Plasmas
Shukla, P K
2012-01-01
By means of particle simulations of the equations of motion for ions interacting with the newly discovered Shukla-Eliasson (SE) force in a dense quantum plasma, we demonstrate that the SE force is powerful to bring ions closer at atomic dimensions. Specifically, we present simulation results on the dynamics of an ensemble of ions in the presence of the SE force without and with confining external potentials and collisions between the ions and degenerate electrons. Our particle simulations reveal that under the SE force, ions attract each other, come closer and form ionic clusters in the bath of degenerate electrons that shield the ions. Furthermore, an external confining potential produces robust ion clusters that can have cigar-like and ball-like shapes. The binding between the ions on account of the SE force may provide possibility of non-Coulombic explosions of ionic clusters for inertial confined fusion (ICF) schemes when high-energy density plasmas (density exceeding $10^{23}$ per cubic centimeters) are ...
Supported quantum clusters of silver as enhanced catalysts for reduction
Directory of Open Access Journals (Sweden)
Leelavathi Annamalai
2011-01-01
Full Text Available Abstract Quantum clusters (QCs of silver such as Ag7(H2MSA7, Ag8(H2MSA8 (H2MSA, mercaptosuccinic acid were synthesized by the interfacial etching of Ag nanoparticle precursors and were loaded on metal oxide supports to prepare active catalysts. The supported clusters were characterized using high resolution transmission electron microscopy, scanning electron microscopy, X-ray photoelectron spectroscopy, and laser desorption ionization mass spectrometry. We used the conversion of nitro group to amino group as a model reaction to study the catalytic reduction activity of the QCs. Various aromatic nitro compounds, namely, 3-nitrophenol (3-np, 4-nitrophenol (4-np, 3-nitroaniline (3-na, and 4-nitroaniline (4-na were used as substrates. Products were confirmed using UV-visible spectroscopy and electrospray ionization mass spectrometry. The supported QCs remained active and were reused several times after separation. The rate constant suggested that the reaction followed pseudo-first-order kinetics. The turn-over frequency was 1.87 s-1 per cluster for the reduction of 4-np at 35°C. Among the substrates investigated, the kinetics followed the order, SiO2 > TiO2 > Fe2O3 > Al2O3.
Mass spectrometric and quantum chemical determination of proton water clustering equilibria
Likholyot, Alexander; Lemke, Kono H.; Hovey, Jamey K.; Seward, Terry M.
2007-05-01
We report on the thermochemistry of proton hydration by water in the gas phase both experimentally using high-pressure mass spectrometry (HPMS) and theoretically using multilevel G3, G3B3, CBS-Q, CBS-QB3, CBS/QCI-APNO as well as density functional theory (DFT) calculations. Gas phase hydration enthalpies and entropies for protonated water cluster equilibria with up to 7 waters (i.e., n ⩽ 7H 3O +·(H 2O) n) were observed and exhibited non-monotonic behavior for successive hydration steps as well as enthalpy and entropy anomalies at higher cluster rank numbers. In particular, there is a significant jump in the stepwise enthalpies and entropies of cluster formation for n varying from 6 to 8. This behavior can be successfully interpreted using cluster geometries obtained from quantum chemical calculations by considering the number of additional hydrogen bonds formed at each hydration step and simultaneous weakening of ion-solvent interaction with increasing cluster size. The measured total hydration energy for the attachment of the first six water molecules around the hydronium ion was found to account for more than 60% of total bulk hydration free energy.
Peculiarities of the electron field emission from quantum-size structures
Litovchenko, V. G.; Evtukh, A. A.; Litvin, Yu. M.; Goncharuk, N. M.; Hartnagel, H.; Yilmazoglu, O.; Pavlidis, D.
2003-06-01
The electron field emission from semiconductor based layered structures has been investigated. Among studied structures were silicon tips coated with ultra-thin DLC layer, multilayer structures Si-SiO 2-Si ∗-SiO 2 with delta-doped Si ∗ layer, nanocomposite layers SiO xN y(Si) with Si nanocrystals embedded in SiO xN y matrix, GaN layers and Si-SiGe heterostructures. All of them have such peculiarities of electron field emission as peaks on emission current-voltage characteristics and corresponding Fowler-Nordheim plots. A physical model is proposed for explanation of experimental results. All emitters have layer, cluster wire or dot with quantum-size restriction in it. As a result, the quantum well with splitted electron levels exists or appears at electric field. Additional mechanism of electron emission-resonance tunneling is realized at definite electric fields.
Peculiarities of the electron field emission from quantum-size structures
Energy Technology Data Exchange (ETDEWEB)
Litovchenko, V.G.; Evtukh, A.A.; Litvin, Yu.M.; Goncharuk, N.M.; Hartnagel, H.; Yilmazoglu, O.; Pavlidis, D
2003-06-15
The electron field emission from semiconductor based layered structures has been investigated. Among studied structures were silicon tips coated with ultra-thin DLC layer, multilayer structures Si-SiO{sub 2}-Si*-SiO{sub 2} with delta-doped Si* layer, nanocomposite layers SiO{sub x}N{sub y}(Si) with Si nanocrystals embedded in SiO{sub x}N{sub y} matrix, GaN layers and Si-SiGe heterostructures. All of them have such peculiarities of electron field emission as peaks on emission current-voltage characteristics and corresponding Fowler-Nordheim plots. A physical model is proposed for explanation of experimental results. All emitters have layer, cluster wire or dot with quantum-size restriction in it. As a result, the quantum well with splitted electron levels exists or appears at electric field. Additional mechanism of electron emission-resonance tunneling is realized at definite electric fields.
Directory of Open Access Journals (Sweden)
Dong Yumin
2014-01-01
Full Text Available A quantum optimization scheme in network cluster server task scheduling is proposed. We explore and research the distribution theory of energy field in quantum mechanics; specially, we apply it to data clustering. We compare the quantum optimization method with genetic algorithm (GA, ant colony optimization (ACO, simulated annealing algorithm (SAA. At the same time, we prove its validity and rationality by analog simulation and experiment.
Permanent excimer superstructures by supramolecular networking of metal quantum clusters
Santiago-Gonzalez, Beatriz; Monguzzi, Angelo; Azpiroz, Jon Mikel; Prato, Mirko; Erratico, Silvia; Campione, Marcello; Lorenzi, Roberto; Pedrini, Jacopo; Santambrogio, Carlo; Torrente, Yvan; De Angelis, Filippo; Meinardi, Francesco; Brovelli, Sergio
2016-08-01
Excimers are evanescent quasi-particles that typically form during collisional intermolecular interactions and exist exclusively for their excited-state lifetime. We exploited the distinctive structure of metal quantum clusters to fabricate permanent excimer-like colloidal superstructures made of ground-state noninteracting gold cores, held together by a network of hydrogen bonds between their capping ligands. This previously unknown aggregation state of matter, studied through spectroscopic experiments and ab initio calculations, conveys the photophysics of excimers into stable nanoparticles, which overcome the intrinsic limitation of excimers in single-particle applications—that is, their nearly zero formation probability in ultra-diluted solutions. In vitro experiments demonstrate the suitability of the superstructures as nonresonant intracellular probes and further reveal their ability to scavenge reactive oxygen species, which enhances their potential as anticytotoxic agents for biomedical applications.
Hydrogen storage in magnesium clusters: quantum chemical study.
Wagemans, Rudy W P; van Lenthe, Joop H; de Jongh, Petra E; van Dillen, A Jos; de Jong, Krijn P
2005-11-30
Magnesium hydride is cheap and contains 7.7 wt % hydrogen, making it one of the most attractive hydrogen storage materials. However, thermodynamics dictate that hydrogen desorption from bulk magnesium hydride only takes place at or above 300 degrees C, which is a major impediment for practical application. A few results in the literature, related to disordered materials and very thin layers, indicate that lower desorption temperatures are possible. We systematically investigated the effect of crystal grain size on the thermodynamic stability of magnesium and magnesium hydride, using ab initio Hartree-Fock and density functional theory calculations. Also, the stepwise desorption of hydrogen was followed in detail. As expected, both magnesium and magnesium hydride become less stable with decreasing cluster size, notably for clusters smaller than 20 magnesium atoms. However, magnesium hydride destabilizes more strongly than magnesium. As a result, the hydrogen desorption energy decreases significantly when the crystal grain size becomes smaller than approximately 1.3 nm. For instance, an MgH2 crystallite size of 0.9 nm corresponds to a desorption temperature of only 200 degrees C. This predicted decrease of the hydrogen desorption temperature is an important step toward the application of Mg as a hydrogen storage material.
Nonlocal quantum gravity and the size of the universe
Energy Technology Data Exchange (ETDEWEB)
Reuter, M. [Institute of Physics, University of Mainz, Staudingerweg 7, 55099 Mainz (Germany); Saueressig, F. [Institute of Theoretical Physics, University of Jena, Max-Wien-Platz 1, 07743 Jena (Germany)
2004-06-01
Motivated by the conjecture that the cosmological constant problem is solved by strong quantum effects in the infrared we use the exact flow equation of Quantum Einstein Gravity to determine the renormalization group behavior of a class of nonlocal effective actions. They consist of the Einstein-Hilbert term and a general nonlinear function F{sub k}(V) of the Euclidean spacetime volume V. For the V+V ln V-invariant the renormalization group running enormously suppresses the value of the renormalized curvature which results from Planck-size parameters specified at the Planck scale. One obtains very large, i.e., almost flat universes without finetuning the cosmological constant. A critical infrared fixed point is found where gravity is scale invariant. (Abstract Copyright [2004], Wiley Periodicals, Inc.)
On bimodal size distribution of spin clusters in the one dimensional Ising model
Ivanytskyi, A. I.; Chelnokov, V. O.
2015-01-01
The size distribution of geometrical spin clusters is exactly found for the one dimensional Ising model of finite extent. For the values of lattice constant $\\beta$ above some "critical value" $\\beta_c$ the found size distribution demonstrates the non-monotonic behavior with the peak corresponding to the size of largest available cluster. In other words, at high values of lattice constant there are two ways to fill the lattice: either to form a single largest cluster or to create many cluster...
Ionic Structure and Photoabsorption in Medium Sized Sodium Clusters
Kümmel, S; Reinhard, P G
1998-01-01
We present ground-state configurations and photoabsorption spectra of Na-7+, Na-27+ and Na-41+. For the first time, both the ionic structure and the photoabsorption spectra of medium-size sodium clusters beyond Na-20 have been calculated self-consistently with a non-spherical treatment of the valence electrons in density functional theory. We use a local pseudopotential that has been adjusted to experimental bulk properties and the atomic 3s level of sodium. Our studies have shown that both the ionic structure of the ground state and the positions of the plasmon resonances depend sensitively on the pseudopotential used in the calculation, which stresses the importance of its consistent use in both steps.
Quantum simulations of the hydrogen molecule on ammonia clusters
Mella, Massimo; Curotto, E.
2013-09-01
Mixed ammonia-hydrogen molecule clusters [H2-(NH3)n] have been studied with the aim of exploring the quantitative importance of the H2 quantum motion in defining their structure and energetics. Minimum energy structures have been obtained employing genetic algorithm-based optimization methods in conjunction with accurate pair potentials for NH3-NH3 and H2-NH3. These include both a full 5D potential and a spherically averaged reduced surface mimicking the presence of a para-H2. All the putative global minima for n ⩾ 7 are characterized by H2 being adsorbed onto a rhomboidal ammonia tetramer motif formed by two double donor and two double acceptor ammonia molecules. In a few cases, the choice of specific rhombus seems to be directed by the vicinity of an ammonia ad-molecule. Diffusion Monte Carlo simulations on a subset of the species obtained highlighted important quantum effects in defining the H2 surface distribution, often resulting in populating rhomboidal sites different from the global minimum one, and showing a compelling correlation between local geometrical features and the relative stability of surface H2. Clathrate-like species have also been studied and suggested to be metastable over a broad range of conditions if formed.
Quantum simulations of the hydrogen molecule on ammonia clusters.
Mella, Massimo; Curotto, E
2013-09-28
Mixed ammonia-hydrogen molecule clusters [H2-(NH3)n] have been studied with the aim of exploring the quantitative importance of the H2 quantum motion in defining their structure and energetics. Minimum energy structures have been obtained employing genetic algorithm-based optimization methods in conjunction with accurate pair potentials for NH3-NH3 and H2-NH3. These include both a full 5D potential and a spherically averaged reduced surface mimicking the presence of a para-H2. All the putative global minima for n ≥ 7 are characterized by H2 being adsorbed onto a rhomboidal ammonia tetramer motif formed by two double donor and two double acceptor ammonia molecules. In a few cases, the choice of specific rhombus seems to be directed by the vicinity of an ammonia ad-molecule. Diffusion Monte Carlo simulations on a subset of the species obtained highlighted important quantum effects in defining the H2 surface distribution, often resulting in populating rhomboidal sites different from the global minimum one, and showing a compelling correlation between local geometrical features and the relative stability of surface H2. Clathrate-like species have also been studied and suggested to be metastable over a broad range of conditions if formed.
Lemke, K.; Sadjadi, S.; Seward, T.
2010-12-01
The structures and energetic properties of ionic alkali metal halide clusters play a significant role in our understanding of aqueous geochemical processes such as salt dissolution, precipitation and neutralization reactions. Mass spectrometric and quantum chemical studies of such systems offer new opportunities to study the size-dependent evolution of cluster structures, the occurrence of magic number species as well as their fundamental properties. The work here presents new results for the stability, abundance and structure of pure [Na(NaClm)]+ , [K(KCl)m]+ and mixed [Na(NaCl)p(KCl)q]+ metal halide clusters with mQB3 and G4 methods and comment on the onset of the doubly charged cluster series. FT-ICR mass spectra for [Na(NaCl)n]+ clusters generated from 1mM NaCl in 20%H2O 80% acetonitrile in positive ion mode.
Size-dependent mobility of gold nano-clusters during growth on chemically modified graphene
Energy Technology Data Exchange (ETDEWEB)
Bell, Gavin R., E-mail: gavin.bell@warwick.ac.uk; Dawson, Peter M.; Pandey, Priyanka A.; Wilson, Neil R. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Mulheran, Paul A. [Department of Chemical and Process Engineering, University of Strathclyde, James Weir Building, 75 Montrose St., Glasgow G1 1XJ (United Kingdom)
2014-01-01
Gold nano-clusters were grown on chemically modified graphene by direct sputter deposition. Transmission electron microscopy of the nano-clusters on these electron-transparent substrates reveals an unusual bimodal island size distribution (ISD). A kinetic Monte Carlo model of growth incorporating a size-dependent cluster mobility rule uniquely reproduces the bimodal ISD, providing strong evidence for the mobility of large clusters during surface growth. The cluster mobility exponent of −5/3 is consistent with cluster motion via one-dimensional diffusion of gold atoms around the edges of the nano-clusters.
Size-dependent mobility of gold nano-clusters during growth on chemically modified graphene
Directory of Open Access Journals (Sweden)
Gavin R. Bell
2014-01-01
Full Text Available Gold nano-clusters were grown on chemically modified graphene by direct sputter deposition. Transmission electron microscopy of the nano-clusters on these electron-transparent substrates reveals an unusual bimodal island size distribution (ISD. A kinetic Monte Carlo model of growth incorporating a size-dependent cluster mobility rule uniquely reproduces the bimodal ISD, providing strong evidence for the mobility of large clusters during surface growth. The cluster mobility exponent of −5/3 is consistent with cluster motion via one-dimensional diffusion of gold atoms around the edges of the nano-clusters.
Parametric interactions in presence of different size colloids in semiconductor quantum plasmas
Energy Technology Data Exchange (ETDEWEB)
Vanshpal, R., E-mail: ravivanshpal@gmail.com; Sharma, Uttam [Shri Vaishnav Institute of Technology and Science, Indore (India); Dubey, Swati [School of Studies in Physics, Vikram University, Ujjain (M.P.) (India)
2015-07-31
Present work is an attempt to investigate the effect of different size colloids on parametric interaction in semiconductor quantum plasma. Inclusion of quantum effect is being done in this analysis through quantum correction term in classical hydrodynamic model of homogeneous semiconductor plasma. The effect is associated with purely quantum origin using quantum Bohm potential and quantum statistics. Colloidal size and quantum correction term modify the parametric dispersion characteristics of ion implanted semiconductor plasma medium. It is found that quantum effect on colloids is inversely proportional to their size. Moreover critical size of implanted colloids for the effective quantum correction is determined which is found to be equal to the lattice spacing of the crystal.
Quantum-size resonance tunneling in the field emission phenomenon
Litovchenko, V.; Evtukh, A.; Kryuchenko, Yu.; Goncharuk, N.; Yilmazoglu, O.; Mutamba, K.; Hartnagel, H. L.; Pavlidis, D.
2004-07-01
Theoretical analyses have been performed of the quantum-size (QS) resonance tunneling in the field-emission (FE) phenomenon for different models of the emitting structures. Such experimentally observed peculiarities have been considered as the enhancement of the FE current, the deviation from the Fowler-Nordheim law, the appearance of sharp current peaks, and a negative resistance. Different types of FE cathodes with QS structures (quantized layers, wires, or dots) have been studied experimentally. Resonance current peaks have been observed, from which the values of the energy-level splitting can be estimated.
Bimodal-sized quantum dots for broad spectral bandwidth emitter.
Zhou, Yinli; Zhang, Jian; Ning, Yongqiang; Zeng, Yugang; Zhang, Jianwei; Zhang, Xing; Qin, Li; Wang, Lijun
2015-12-14
In this work, a high-power and broadband superluminescent diode (SLD) is achieved utilizing bimodal-sized quantum dots (QDs) as active materials. The device exhibits a 3 dB bandwidth of 178.8 nm with output power of 1.3 mW under continuous-wave (CW) conditions. Preliminary discussion attributes the spectra behavior of the device to carrier transfer between small dot ensemble and large dot ensemble. Our result provides a new possibility to further broadening the spectral bandwidth and improving the CW output power of QD-SLDs.
Cosmological Tests Using the Angular Size of Galaxy Clusters
Wei, Jun-Jie; Melia, Fulvio
2014-01-01
We use measurements of the galaxy-cluster angular size versus redshift to test and compare the standard model (LCDM) and the R_h=ct Universe. We show that the latter fits the data with a reduced chi^2_dof=0.786 for a Hubble constant H_0= 72.6 (-3.4+3.8) km/s/Mpc, and H_0 is the sole parameter in this model. By comparison, the optimal flat LCDM model, with two free parameters (including Omega_m=0.50 and H_0=73.9 (-9.5+10.6) km/s/Mpc), fits the angular-size data with a reduced chi^2_dof=0.806. On the basis of their chi^2_dof values alone, both models appear to account for the data very well in spite of the fact that the R_h=ct Universe expands at a constant rate, while LCDM does not. However, because of the different number of free parameters in these models, selection tools, such as the Bayes Information Criterion, favour R_h=ct over LCDM with a likelihood of ~86% versus ~14%. These results impact the question of galaxy growth at large redshifts. Previous work suggested an inconsistency with the underlying cos...
Micron size superconducting quantum interference devices of lead (Pb)
Paul, Sagar; Biswas, Sourav; Gupta, Anjan K.
2017-02-01
Micron size superconducting quantum interference devices (μ-SQUID) of lead (Pb), for probing nano-magnetism, were fabricated and characterized. In order to get continuous Pb films with small grain size, Pb was thermally evaporated on a liquid nitrogen cooled Si substrate. Pb was sandwiched between two thin Cr layers for improved adhesion and protection. The SQUID pattern was made by e-beam lithography with Pb lift-off after deposition. The current-voltage characteristics of these devices show a critical current, which exhibits the expected SQUID oscillations with magnetic field, and two re-trapping currents. As a result these devices have hysteresis at low temperatures, which disappears just below the critical temperature.
Size effects in the quantum yield of Cd Te quantum dots for optimum fluorescence bioimaging
Energy Technology Data Exchange (ETDEWEB)
Jacinto, C.; Rocha, U.S. [Universidade Federal de Alagoas (UFAL), Maceio, AL (Brazil). Inst. de Fisica. Grupo de Fotonica e Fluidos Complexos; Maestro, L.M.; Garcia-Sole, J.; Jaque, D. [Universidad Autonoma de Madrid (Spain). Dept. de Fisica de Materiales. Fluorescence Imaging Group
2011-07-01
Full text: Semiconductor nano-crystals, usually referred as Quantum Dots (QDs) are nowadays regarded as one of the building-blocks in modern photonics. They constitute bright and photostable fluorescence sources whose emission and absorption properties can be adequately tailored through their size. Recent advances on the controlled modification of their surface has made possible the development of water soluble QDs, without causing any deterioration in their fluorescence properties. This has made them excellent optical selective markers to be used in fluorescence bio-imaging experiments. The suitability of colloidal QDs for bio-imaging is pushed forward by their large two-photon absorption cross section so that their visible luminescence (associated to the recombination of electro-hole pairs) can be also efficiently excited under infrared excitation (two-photon excitation). This, in turns, allows for large penetration depths in tissues, minimization of auto-fluorescence and achievement of superior spatial imaging resolution. In addition, recent works have demonstrated the ability of QDs to act as nano-thermometers based on the thermal sensitivity of their fluorescence bands. Based on all these outstanding properties, QDs have been successfully used to mark individual receptors in cell membranes, to intracellular temperature measurements and to label living embryos at different stages. Most of the QD based bio-images reported up to now were obtained by using whether CdSe or CdTe QDs since both are currently commercial available with a high degree of quality. They show similar fluorescence properties and optical performance when used in bio-imaging. Nevertheless, CdTe-QDs have very recently attracted much attention since the hyper-thermal sensitivity of their fluorescence bands was discovered. Based on this, it has been postulated that intracellular thermal sensing with resolutions as large as 0.25 deg C can be achieved based on CdTe-QDs, three times better than
Van der Waals coefficients for alkali metal clusters and their size dependence
Indian Academy of Sciences (India)
Arup Banerjee; Manoj K Harbola
2006-02-01
In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waals coefficients 6 and 8 of alkali metal clusters of various sizes including very large clusters. Such calculations become computationally very demanding in the orbital-based Kohn-Sham formalism, but are quite simple in the hydrodynamic approach. We show that for interactions between the clusters of the same sizes, 6 and 8 scale as the sixth and the eighth power of the cluster radius, respectively, and approach their classically predicted values for the large size clusters.
Cluster-state quantum computing enhanced by high-fidelity generalized measurements.
Biggerstaff, D N; Kaltenbaek, R; Hamel, D R; Weihs, G; Rudolph, T; Resch, K J
2009-12-11
We introduce and implement a technique to extend the quantum computational power of cluster states by replacing some projective measurements with generalized quantum measurements (POVMs). As an experimental demonstration we fully realize an arbitrary three-qubit cluster computation by implementing a tunable linear-optical POVM, as well as fast active feedforward, on a two-qubit photonic cluster state. Over 206 different computations, the average output fidelity is 0.9832+/-0.0002; furthermore the error contribution from our POVM device and feedforward is only of O(10(-3)), less than some recent thresholds for fault-tolerant cluster computing.
DEFF Research Database (Denmark)
Hanif, Muhammad; Popok, Vladimir
2015-01-01
The experimental setup utilizing a DC magnetron sputtering source for production of metal clusters, their size (mass) selection and following deposition in high vacuum is described. The source is capable to form clusters of various metals, for example, copper, silver, gold etc. Cluster size...... selection is achieved using an electrostatic quadrupole mass selector. The deposited silver clusters are studied using atomic force microscopy. The height distributions show typical relative standard size deviation of 9-13% for given sizes in the range between 5-23 nm. Thus, the apparatus demonstrates good...
Bible, Joe; Beck, James D; Datta, Somnath
2016-06-01
Ignorance of the mechanisms responsible for the availability of information presents an unusual problem for analysts. It is often the case that the availability of information is dependent on the outcome. In the analysis of cluster data we say that a condition for informative cluster size (ICS) exists when the inference drawn from analysis of hypothetical balanced data varies from that of inference drawn on observed data. Much work has been done in order to address the analysis of clustered data with informative cluster size; examples include Inverse Probability Weighting (IPW), Cluster Weighted Generalized Estimating Equations (CWGEE), and Doubly Weighted Generalized Estimating Equations (DWGEE). When cluster size changes with time, i.e., the data set possess temporally varying cluster sizes (TVCS), these methods may produce biased inference for the underlying marginal distribution of interest. We propose a new marginalization that may be appropriate for addressing clustered longitudinal data with TVCS. The principal motivation for our present work is to analyze the periodontal data collected by Beck et al. (1997, Journal of Periodontal Research 6, 497-505). Longitudinal periodontal data often exhibits both ICS and TVCS as the number of teeth possessed by participants at the onset of study is not constant and teeth as well as individuals may be displaced throughout the study.
Georgescu, Ionuţ; Mandelshtam, Vladimir A
2011-10-21
The variational Gaussian wavepacket (VGW) approximation provides an alternative to path integral Monte Carlo for the computation of thermodynamic properties of many-body systems at thermal equilibrium. It provides a direct access to the thermal density matrix and is particularly efficient for Monte Carlo approaches, as for an N-body system it operates in a non-inflated 3N-dimensional configuration space. Here, we greatly accelerate the VGW method by retaining only the relevant short-range correlations in the (otherwise full) 3N × 3N Gaussian width matrix without sacrificing the accuracy of the fully coupled VGW method. This results in the reduction of the original O(N(3)) scaling to O(N(2)). The fast-VGW method is then applied to quantum Lennard-Jones clusters with sizes up to N = 6500 atoms. Following Doye and Calvo [JCP 116, 8307 (2002)] we study the competition between the icosahedral and decahedral structural motifs in Ne(N) clusters as a function of N.
Quantum Monte Carlo simulation of nanoscale MgH2 cluster thermodynamics.
Wu, Zhigang; Allendorf, Mark D; Grossman, Jeffrey C
2009-10-07
We calculated the desorption energy of MgH(2) clusters using the highly accurate quantum Monte Carlo (QMC) approach, which can provide desorption energies with chemical accuracy (within approximately 1 kcal/mol) and therefore provides a valuable benchmark for such hydrogen-storage simulations. Compared with these QMC results, the most widely used density functional theory (DFT) computations (including a wide range of exchange-correlation functionals) cannot reach a consistent and suitable level of accuracy across the thermodynamically tunable range for MgH(2) clusters. Furthermore, our QMC calculations show that the DFT error depends substantially on cluster size. These results suggest that in simulating metal-hydride systems it is very important to apply accurate methods that go beyond traditional mean-field approaches as a benchmark of their performance for a given material, and QMC is an appealing method to provide such a benchmark due to its high level of accuracy and favorable scaling (N(3)) with the number of electrons.
Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations
Energy Technology Data Exchange (ETDEWEB)
Rodríguez-Cantano, Rocío; Pérez de Tudela, Ricardo; Bartolomei, Massimiliano; Hernández, Marta I.; Campos-Martínez, José; González-Lezana, Tomás, E-mail: t.gonzalez.lezana@csic.es; Villarreal, Pablo [Instituto de Física Fundamental, IFF-CSIC, Serrano 123, 28006 Madrid (Spain); Hernández-Rojas, Javier; Bretón, José [Departamento de Física and IUdEA, Universidad de La Laguna, 38205 Tenerife (Spain)
2015-12-14
Coronene-doped helium clusters have been studied by means of classical and quantum mechanical (QM) methods using a recently developed He–C{sub 24}H{sub 12} global potential based on the use of optimized atom-bond improved Lennard-Jones functions. Equilibrium energies and geometries at global and local minima for systems with up to 69 He atoms were calculated by means of an evolutive algorithm and a basin-hopping approach and compared with results from path integral Monte Carlo (PIMC) calculations at 2 K. A detailed analysis performed for the smallest sizes shows that the precise localization of the He atoms forming the first solvation layer over the molecular substrate is affected by differences between relative potential minima. The comparison of the PIMC results with the predictions from the classical approaches and with diffusion Monte Carlo results allows to examine the importance of both the QM and thermal effects.
Accounting for One-Group Clustering in Effect-Size Estimation
Citkowicz, Martyna; Hedges, Larry V.
2013-01-01
In some instances, intentionally or not, study designs are such that there is clustering in one group but not in the other. This paper describes methods for computing effect size estimates and their variances when there is clustering in only one group and the analysis has not taken that clustering into account. The authors provide the effect size…
Hybrid QTAIM and electrostatic potential-based quantum topology phase diagrams for water clusters.
Kumar, Anmol; Gadre, Shridhar R; Chenxia, Xiao; Tianlv, Xu; Kirk, Steven Robert; Jenkins, Samantha
2015-06-21
The topological diversity of sets of isomers of water clusters (W = H2O)n, 7 ≤ n ≤ 10, is analyzed employing the scalar fields of total electronic charge density ρ(r) and the molecular electrostatic potential (MESP). The features uncovered by the MESP are shown to be complementary to those revealed by the theory of atoms in molecules (QTAIM) analysis. The MESP is known to exhibit the electron localizations such as lone pairs that are central to water cluster behavior. Therefore, a 'hybrid' QTAIM and MESP quantum topology phase diagram (QTPD) for Wn, 7 ≤ n ≤ 10, is introduced in addition to the QTPD. The 'spanning' QTPD with upper and lower bounds is constructed from the solutions of the Poincaré-Hopf relation involving the non-degenerate critical points. The changing subtle balance between the planar and three dimensional character of the growing water clusters Wn, 4 ≤ n ≤ 10, is revealed. Characterization of the structure of the QTPDs, possible with new tools, demonstrated the migration of the position of the global minimum on the spanning QTPD from the lower bound to upper bound as the Wn, 4 ≤ n ≤ 10, cluster grows in size. Differences in the structure of the QTPD are found between the clusters containing even versus odd monomers for Wn, n = 7-10. The energetic stability of the clusters which possess even number of monomers viz. n = 8, 10 is higher than that of the n = 7, 9 clusters due to relatively higher numbers of hydrogen-bond BCPs in the n = 8, 10 clusters, in agreement with energetic results reported in the literature. A 'hybrid' QTPD is created from a new chemical relation bHB + l ≥ 2n for Wn that relates the number of hydrogen-bond bond critical points (bHB) with the number of oxygen lone pairs exclusively specified by the negative valued MESP (3,+3) critical points (l). The topologies of the subset bHB + l = 2n for Wn, point the way to the discovery of unknown 'missing' lower energy isomers. A discussion of the relative merits and
Deposition of size-selected atomic clusters on surfaces
Carroll, S J
1999-01-01
implant into the surface. For Ag sub 2 sub 0 -Ag sub 2 sub 0 sub 0 clusters, the implantation depth is found to scale linearly with the impact energy and inversely with the cross-sectional area of the cluster, with an offset due to energy lost to the elastic compression of the surface (Paper VI). For smaller (Ag sub 3) clusters the orientation of the cluster with respect to the surface and the precise impact site play an important role; the impact energy has to be 'focused' in order for cluster implantation to occur (Paper VII). The application of deposited clusters for the creation of Si nanostructures by plasma etching is explored in Paper VIII. This dissertation presents technical developments and experimental and computational investigations concerned with the deposition of atomic clusters onto surfaces. It consists of a collection of papers, in which the main body of results are contained, and four chapters presenting a subject review, computational and experimental techniques and a summary of the result...
Reich, Nicholas G; Myers, Jessica A; Obeng, Daniel; Milstone, Aaron M; Perl, Trish M
2012-01-01
In recent years, the number of studies using a cluster-randomized design has grown dramatically. In addition, the cluster-randomized crossover design has been touted as a methodological advance that can increase efficiency of cluster-randomized studies in certain situations. While the cluster-randomized crossover trial has become a popular tool, standards of design, analysis, reporting and implementation have not been established for this emergent design. We address one particular aspect of cluster-randomized and cluster-randomized crossover trial design: estimating statistical power. We present a general framework for estimating power via simulation in cluster-randomized studies with or without one or more crossover periods. We have implemented this framework in the clusterPower software package for R, freely available online from the Comprehensive R Archive Network. Our simulation framework is easy to implement and users may customize the methods used for data analysis. We give four examples of using the software in practice. The clusterPower package could play an important role in the design of future cluster-randomized and cluster-randomized crossover studies. This work is the first to establish a universal method for calculating power for both cluster-randomized and cluster-randomized clinical trials. More research is needed to develop standardized and recommended methodology for cluster-randomized crossover studies.
Exact Solution of the Cluster Size Distribution for Multi-polymer Coagulation Process
Institute of Scientific and Technical Information of China (English)
KE Jian-Hong; LIN Zhen-Quan; WANG Xiang-Hong
2003-01-01
We propose a simple irreversible multi-polymer coagulation model in which m polymers consist of multiple components bond spontaneously to form a larger cluster. We solve the generalized Smoluchowski rate equation with constant reaction rates to obtain the exact solution of the cluster size distribution. The results indicate that the evolution behaviour of the system depends crucially on the polymer number m of the coagulation reaction. The cluster concentrations decay as t~m/(m~l) ; anc; tne typical size S(t) of the m-polymer coagulation system grows as t /'m~1'. On the other hand, the cluster size distribution may approach unusual scaling form in some cases.
The temperature and size distribution of large water clusters from a non-equilibrium model
Energy Technology Data Exchange (ETDEWEB)
Gimelshein, N. [Gimel, Inc., San Jose, California 95124 (United States); Gimelshein, S., E-mail: gimelshe@usc.edu [University of Southern California, Los Angeles, California 90089 (United States); Pradzynski, C. C.; Zeuch, T., E-mail: tzeuch1@gwdg.de [Institut für Physikalische Chemie, Universität Göttingen, Tammanstr. 6, D-37077 Göttingen (Germany); Buck, U., E-mail: ubuck@gwdg.de [Max-Planck-Institut für Dynamik und Selbstorganisation, Am Faßberg 17, D-37077 Göttingen (Germany)
2015-06-28
A hybrid Lagrangian-Eulerian approach is used to examine the properties of water clusters formed in neon-water vapor mixtures expanding through microscale conical nozzles. Experimental size distributions were reliably determined by the sodium doping technique in a molecular beam machine. The comparison of computed size distributions and experimental data shows satisfactory agreement, especially for (H{sub 2}O){sub n} clusters with n larger than 50. Thus validated simulations provide size selected cluster temperature profiles in and outside the nozzle. This information is used for an in-depth analysis of the crystallization and water cluster aggregation dynamics of recently reported supersonic jet expansion experiments.
A Novel Quantum Blind Signature Scheme with Four-Particle Cluster States
Fan, Ling
2016-03-01
In an arbitrated quantum signature scheme, the signer signs the message and the receiver verifies the signature's validity with the assistance of the arbitrator. We present an arbitrated quantum blind signature scheme by measuring four-particle cluster states and coding. By using the special relationship of four-particle cluster states, we cannot only support the security of quantum signature, but also guarantee the anonymity of the message owner. It has a wide application to E-payment system, E-government, E-business, and etc.
Universality of quantum computation with cluster states and (X, Y)-plane measurements
Mantri, Atul; Demarie, Tommaso F.; Fitzsimons, Joseph F.
2017-01-01
Measurement-based quantum computing (MBQC) is a model of quantum computation where quantum information is coherently processed by means of projective measurements on highly entangled states. Following the introduction of MBQC, cluster states have been studied extensively both from the theoretical and experimental point of view. Indeed, the study of MBQC was catalysed by the realisation that cluster states are universal for MBQC with (X, Y)-plane and Z measurements. Here we examine the question of whether the requirement for Z measurements can be dropped while maintaining universality. We answer this question in the affirmative by showing that universality is possible in this scenario. PMID:28216652
Quantum Chemistry, and Eclectic Mix: From Silicon Carbide to Size Consistency
Energy Technology Data Exchange (ETDEWEB)
Rintelman, Jamie Marie [Iowa State Univ., Ames, IA (United States)
2004-12-19
Chemistry is a field of great breadth and variety. It is this diversity that makes for both an interesting and challenging field. My interests have spanned three major areas of theoretical chemistry: applications, method development, and method evaluation. The topics presented in this thesis are as follows: (1) a multi-reference study of the geometries and relative energies of four atom silicon carbide clusters in the gas phase; (2) the reaction of acetylene on the Si(100)-(2x1) surface; (3) an improvement to the Effective Fragment Potential (EFP) solvent model to enable the study of reactions in both aqueous and nonaqueous solution; and (4) an evaluation of the size consistency of Multireference Perturbation Theory (MRPT). In the following section, the author briefly discusses two topics central to, and present throughout, this thesis: Multi-reference methods and Quantum Mechanics/Molecular Mechanics (QM/MM) methods.
Energy Technology Data Exchange (ETDEWEB)
Bowen, Kit H.
2014-03-05
In this project, we studied size-selected cluster interactions with surfaces, with other clusters on surfaces, and with external stimuli. These studies focused on mobility as a function of cluster size, surface morphologies as a function of composition and coverage, ion-induced modification and reactivity of clusters as a function of composition, the structural evolution of cluster cuboids culminating in the characterization of theoretically-predicted “baby crystal” clusters, and unusual fractal pattern formation due to deposition.
Young, Siobhan K; Lyles, Robert H; Kupper, Lawrence L; Keys, Jessica R; Martin, Sandra L; Costenbader, Elizabeth C
2014-06-01
Population sexual mixing patterns can be quantified using Newman's assortativity coefficient (r). Suggested methods for estimating the SE for r may lead to inappropriate statistical conclusions in situations where intracluster correlation is ignored and/or when cluster size is predictive of the response. We describe a computer-intensive, but highly accessible, within-cluster resampling approach for providing a valid large-sample estimated SE for r and an associated 95% CI. We introduce needed statistical notation and describe the within-cluster resampling approach. Sexual network data and a simulation study were employed to compare within-cluster resampling with standard methods when cluster size is informative. For the analysis of network data when cluster size is informative, the simulation study demonstrates that within-cluster resampling produces valid statistical inferences about Newman's assortativity coefficient, a popular statistic used to quantify the strength of mixing patterns. In contrast, commonly used methods are biased with attendant extremely poor CI coverage. Within-cluster resampling is recommended when cluster size is informative and/or when there is within-cluster response correlation. Within-cluster resampling is recommended for providing valid statistical inferences when applying Newman's assortativity coefficient r to network data. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.
Five-wave-packet quantum error correction based on continuous-variable cluster entanglement
Hao, Shuhong; Su, Xiaolong; Tian, Caixing; Xie, Changde; Peng, Kunchi
2015-10-01
Quantum error correction protects the quantum state against noise and decoherence in quantum communication and quantum computation, which enables one to perform fault-torrent quantum information processing. We experimentally demonstrate a quantum error correction scheme with a five-wave-packet code against a single stochastic error, the original theoretical model of which was firstly proposed by S. L. Braunstein and T. A. Walker. Five submodes of a continuous variable cluster entangled state of light are used for five encoding channels. Especially, in our encoding scheme the information of the input state is only distributed on three of the five channels and thus any error appearing in the remained two channels never affects the output state, i.e. the output quantum state is immune from the error in the two channels. The stochastic error on a single channel is corrected for both vacuum and squeezed input states and the achieved fidelities of the output states are beyond the corresponding classical limit.
Five-wave-packet quantum error correction based on continuous-variable cluster entanglement.
Hao, Shuhong; Su, Xiaolong; Tian, Caixing; Xie, Changde; Peng, Kunchi
2015-10-26
Quantum error correction protects the quantum state against noise and decoherence in quantum communication and quantum computation, which enables one to perform fault-torrent quantum information processing. We experimentally demonstrate a quantum error correction scheme with a five-wave-packet code against a single stochastic error, the original theoretical model of which was firstly proposed by S. L. Braunstein and T. A. Walker. Five submodes of a continuous variable cluster entangled state of light are used for five encoding channels. Especially, in our encoding scheme the information of the input state is only distributed on three of the five channels and thus any error appearing in the remained two channels never affects the output state, i.e. the output quantum state is immune from the error in the two channels. The stochastic error on a single channel is corrected for both vacuum and squeezed input states and the achieved fidelities of the output states are beyond the corresponding classical limit.
Two Ways of Robust Quantum Dialogue by Using Four-Qubit Cluster State
Wang, Rui-jin; Li, Dong-fen; Liu, Yao; Qin, Zhi-guang; Baagyere, Edward
2016-04-01
In this paper, we present a scheme for quantum dialogue by using a four-qubit cluster state as quantum channel.The scheme has two cases: Case 1, Sender Alice and receiver Bob share information using an orderly sequence of entangled state as quantum channel which was prepared by Alice. This case is achieved as follows: The two sides agreed to encode quantum state information, then Alice perform a bell state measurement for quantum information which has been encoded. This will convey the information to Bob, then Bob measuring his own qubits, through the analysis of the measurement results of Alice and Bob, Bob can obtain quantum information. For case 2, four-qubit cluster state and quantum state information is transmitted to form a total quantum system. In the Case 2 scenario, Alice and Bob perform bell state measurements for part of the qubits, and tell the measurement result to each other through the classical channel. Finally, according to the measurement result, Alice and Bob operate an appropriate unitary transformation, as a result, Alice's qubit will be renewed upon Bob's measurements, and also, Bob's qubit will be renewed upon Alice's measurements. Thus, a bidirectional quantum dialogue is achieved. After analysis, this scheme has high security by taking certain eavesdropping attacks into account. There is therefore a certain reference value to the realization of quantum dialogue.
Fault-tolerant measurement-based quantum computing with continuous-variable cluster states.
Menicucci, Nicolas C
2014-03-28
A long-standing open question about Gaussian continuous-variable cluster states is whether they enable fault-tolerant measurement-based quantum computation. The answer is yes. Initial squeezing in the cluster above a threshold value of 20.5 dB ensures that errors from finite squeezing acting on encoded qubits are below the fault-tolerance threshold of known qubit-based error-correcting codes. By concatenating with one of these codes and using ancilla-based error correction, fault-tolerant measurement-based quantum computation of theoretically indefinite length is possible with finitely squeezed cluster states.
Effects of Cluster Size on Platinum-Oxygen Bonds Formation in Small Platinum Clusters
Oemry, Ferensa; Padama, Allan Abraham B.; Kishi, Hirofumi; Kunikata, Shinichi; Nakanishi, Hiroshi; Kasai, Hideaki; Maekawa, Hiroyoshi; Osumi, Kazuo; Sato, Kaoru
2012-03-01
We present the results of density functional theory calculation in oxygen dissociative adsorption process on two types of isolated platinum (Pt) clusters: Pt4 and Pt10, by taking into account the effect of cluster reconstruction. The strength of Pt-Pt bonds in the clusters is mainly defined by d-d hybridization and interstitial bonding orbitals (IBO). Oxygen that adsorbed on the clusters is weakening the IBO and thus inducing geometry reconstruction as occurred in Pt10 cluster. However, cluster that could undergo structural deformation is found to promote oxygen dissociation with no energy barrier. The details show that maintaining well-balanced of attractive and repulsive (Hellmann-Feynman) forces between atoms is considered to be the main key to avoid any considerable rise of energy barrier. Furthermore, a modest energy barrier that gained in Pt4 cluster is presumed to be originate from inequality of intramolecular forces between atoms.
The size of clusters in a neutrino-dominated universe
White, S. D. M.; Davis, M.; Frenk, C. S.
1984-01-01
Quite soon after the first collapse of structure, almost half the matter in a neutrino-dominated universe is expected to reside in clusters. The masses and binding energies of these neutrino clusters are too large for them to be identified with observed galaxy clusters. Even if such objects were able to suppress all galaxy formation, their X-ray emission would, however, make them highly visible if more than 2.5 percent of their mass was in ordinary matter. Such a low baryon density leads to insuffient cooling for galaxies to form in pancakes. A neutrino-dominated universe appears to conflict with observation irrespective of the details of the processes which govern galaxy formation.
Size of clusters in a neutrino-dominated universe
Energy Technology Data Exchange (ETDEWEB)
White, S.D.M.; Davis, M.; Frenk, C.S. (California Univ., Santa Barbara (USA). Inst. for Theoretical Physics)
1984-07-15
Quite soon after the first collapse of structure almost half the matter in a neutrino-dominated universe is expected to reside in clusters. The masses and binding energies of these neutrino clusters are too large for them to be identified with observed galaxy clusters. Even if such objects were able to suppress all galaxy formation, their X-ray emission would, however, make them highly visible if more than 2.5 per cent of their mass was in ordinary matter. Such a low baryon density leads to insufficient cooling for galaxies to form in pancakes. A neutrino-dominated universe appears to conflict with observation irrespective of the details of the processes which govern galaxy formation.
Laptyeva, T. V.; Kozinov, E. A.; Meyerov, I. B.; Ivanchenko, M. V.; Denisov, S. V.; Hänggi, P.
2016-04-01
We present a numerical approach to calculate non-equilibrium eigenstates of a periodically time-modulated quantum system. The approach is based on the use of a chain of single-step propagating operators. Each operator is time-specific and constructed by combining the Magnus expansion of the time-dependent system Hamiltonian with the Chebyshev expansion of an operator exponent. The construction of the unitary Floquet operator, which evolves a system state over the full modulation period, is performed by propagating the identity matrix over the period. The independence of the evolution of basis vectors makes the propagation stage suitable for realization on a parallel cluster. Once the propagation stage is completed, a routine diagonalization of the Floquet matrix is performed. Finally, an additional propagation round, now involving the eigenvectors as the initial states, allows to resolve the time-dependence of the Floquet states and calculate their characteristics. We demonstrate the accuracy and scalability of the algorithm by applying it to calculate the Floquet states of two quantum models, namely (i) a synthesized random-matrix Hamiltonian and (ii) a many-body Bose-Hubbard dimer, both of the size up to 104 states.
Superresolution Imaging of Aquaporin-4 Cluster Size in Antibody-Stained Paraffin Brain Sections.
Smith, Alex J; Verkman, Alan S
2015-12-15
The water channel aquaporin-4 (AQP4) forms supramolecular clusters whose size is determined by the ratio of M1- and M23-AQP4 isoforms. In cultured astrocytes, differences in the subcellular localization and macromolecular interactions of small and large AQP4 clusters results in distinct physiological roles for M1- and M23-AQP4. Here, we developed quantitative superresolution optical imaging methodology to measure AQP4 cluster size in antibody-stained paraffin sections of mouse cerebral cortex and spinal cord, human postmortem brain, and glioma biopsy specimens. This methodology was used to demonstrate that large AQP4 clusters are formed in AQP4(-/-) astrocytes transfected with only M23-AQP4, but not in those expressing only M1-AQP4, both in vitro and in vivo. Native AQP4 in mouse cortex, where both isoforms are expressed, was enriched in astrocyte foot-processes adjacent to microcapillaries; clusters in perivascular regions of the cortex were larger than in parenchymal regions, demonstrating size-dependent subcellular segregation of AQP4 clusters. Two-color superresolution imaging demonstrated colocalization of Kir4.1 with AQP4 clusters in perivascular areas but not in parenchyma. Surprisingly, the subcellular distribution of AQP4 clusters was different between gray and white matter astrocytes in spinal cord, demonstrating regional specificity in cluster polarization. Changes in AQP4 subcellular distribution are associated with several neurological diseases and we demonstrate that AQP4 clustering was preserved in a postmortem human cortical brain tissue specimen, but that AQP4 was not substantially clustered in a human glioblastoma specimen despite high-level expression. Our results demonstrate the utility of superresolution optical imaging for measuring the size of AQP4 supramolecular clusters in paraffin sections of brain tissue and support AQP4 cluster size as a primary determinant of its subcellular distribution. Copyright © 2015 Biophysical Society
Holographic Relaxation of Finite Size Isolated Quantum Systems
Abajo-Arrastia, Javier; Lopez, Esperanza; Mas, Javier; Serantes, Alexandre
2014-01-01
We study holographically the out of equilibrium dynamics of a finite size closed quantum system in 2+1 dimensions, modelled by the collapse of a shell of a massless scalar field in AdS4. In global coordinates there exists a variety of evolutions towards final black hole formation which we relate with different patterns of relaxation in the dual field theory. For large scalar initial data rapid thermalization is achieved as a priori expected. Interesting phenomena appear for small enough amplitudes. Such shells do not generate a black hole by direct collapse, but quite generically an apparent horizon emerges after enough bounces off the AdS boundary. We relate this bulk evolution with relaxation processes at strong coupling which delay in reaching an ergodic stage. Besides the dynamics of bulk fields, we monitor the entanglement entropy, finding that it oscillates quasi-periodically before final equilibration. The radial position of the traveling shell is brought into correspondence with the evolution of the e...
Laser ablation source for formation and deposition of size-selected metal clusters.
Vucković, S; Svanqvist, M; Popok, V N
2008-07-01
This work describes construction of a source and optimisation of its parameters for production of cluster ion beams using material ablation by the second harmonic of a Nd:YAG laser (532 nm). The influence of different source parameters such as carrier gas pressure, laser power, delay time between gas, and laser pulses as well as nozzle configuration on the cluster formation are studied. For the current experiments the laser ablation cluster source was optimized for production of Con+ cluster ions. Clusters with n up to 150 atoms are registered by a time-of-flight mass spectrometer. Deposition of size-selected Co50+ clusters with kinetic energies in the interval of 250-4850 eV/cluster on highly ordered pyrolytic graphite is studied. At the highest impact energies the clusters are implanted. Craters and well-like structures can be seen by scanning tunneling microscopy at impact spots. A decrease in cluster kinetic energy leads to formation of bumplike structures which probably represent damaged graphite areas with incorporated Co atoms. Further decrease in the cluster impact energy to the level of 450-250 eV/cluster creates condition for so-called cluster pinning when the cluster constituents are intact but the energy transferred to the graphite is still enough to produce radiation defects to which the cluster is bound.
Sample size calculations for 3-level cluster randomized trials
Teerenstra, S.; Moerbeek, M.; Achterberg, T. van; Pelzer, B.J.; Borm, G.F.
2008-01-01
BACKGROUND: The first applications of cluster randomized trials with three instead of two levels are beginning to appear in health research, for instance, in trials where different strategies to implement best-practice guidelines are compared. In such trials, the strategy is implemented in health
Sample size calculations for 3-level cluster randomized trials
Teerenstra, S.; Moerbeek, M.; Achterberg, T. van; Pelzer, B.J.; Borm, G.F.
2008-01-01
Background The first applications of cluster randomized trials with three instead of two levels are beginning to appear in health research, for instance, in trials where different strategies to implement best-practice guidelines are compared. In such trials, the strategy is implemented in health
General Framework for Effect Sizes in Cluster Randomized Experiments
VanHoudnos, Nathan
2016-01-01
Cluster randomized experiments are ubiquitous in modern education research. Although a variety of modeling approaches are used to analyze these data, perhaps the most common methodology is a normal mixed effects model where some effects, such as the treatment effect, are regarded as fixed, and others, such as the effect of group random assignment…
Sample size calculations for 3-level cluster randomized trials
Teerenstra, S.; Moerbeek, M.; Achterberg, T. van; Pelzer, B.J.; Borm, G.F.
2008-01-01
BACKGROUND: The first applications of cluster randomized trials with three instead of two levels are beginning to appear in health research, for instance, in trials where different strategies to implement best-practice guidelines are compared. In such trials, the strategy is implemented in health ca
Sample size calculations for 3-level cluster randomized trials
Teerenstra, S.; Moerbeek, M.; Achterberg, T. van; Pelzer, B.J.; Borm, G.F.
2008-01-01
Background The first applications of cluster randomized trials with three instead of two levels are beginning to appear in health research, for instance, in trials where different strategies to implement best-practice guidelines are compared. In such trials, the strategy is implemented in health car
The mean cluster size near the surface of a percolating system
Korneta, W.; Pytel, Z.
1989-04-01
The bond percolation on a three-dimensional semi-infinite simple cubic lattice is considered. It is assumed that the probability of a bond being present in the surface layer may be different from the probability of a bond inside the lattice. The mean size of finite clusters is studied. Using the relation between the Potts model and the bond percolation process, and applying the mean-field approximation, analytical formulae for the mean cluster size near the ordinary, surface-bulk, extraordinary and surface second-order phase transitions are obtained. The effect of the surface on the mean cluster size is discussed.
Hall effect in quantum critical charge-cluster glass.
Wu, Jie; Bollinger, Anthony T; Sun, Yujie; Božović, Ivan
2016-04-19
Upon doping, cuprates undergo a quantum phase transition from an insulator to a d-wave superconductor. The nature of this transition and of the insulating state is vividly debated. Here, we study the Hall effect in La2-xSrxCuO4(LSCO) samples doped near the quantum critical point atx∼ 0.06. Dramatic fluctuations in the Hall resistance appear belowTCG∼ 1.5 K and increase as the sample is cooled down further, signaling quantum critical behavior. We explore the doping dependence of this effect in detail, by studying a combinatorial LSCO library in which the Sr content is varied in extremely fine steps,Δx∼ 0.00008. We observe that quantum charge fluctuations wash out when superconductivity emerges but can be restored when the latter is suppressed by applying a magnetic field, showing that the two instabilities compete for the ground state.
Alexander, Rafael N.; Wang, Pei; Sridhar, Niranjan; Chen, Moran; Pfister, Olivier; Menicucci, Nicolas C.
2016-09-01
One-way quantum computing is experimentally appealing because it requires only local measurements on an entangled resource called a cluster state. Record-size, but nonuniversal, continuous-variable cluster states were recently demonstrated separately in the time and frequency domains. We propose to combine these approaches into a scalable architecture in which a single optical parametric oscillator and simple interferometer entangle up to (3 ×103 frequencies) × (unlimited number of temporal modes) into a computationally universal continuous-variable cluster state. We introduce a generalized measurement protocol to enable improved computational performance on this entanglement resource.
Sakurai, Masahiro; Souto-Casares, Jaime; Chelikowsky, James R.
2016-07-01
We examine the structural stability and magnetization for nickel clusters containing up to 500 atoms by performing first-principles calculations based on pseudopotential in real space computed within density-functional theory. After structural relaxation, Ni clusters in this size range favor either an fcc structure, which is a crystal structure in bulk, or an icosahedral structure, which is expected for small clusters. The calculated total magnetic moments per atom of energetically stable clusters agree well with experiment, wherein the moments decrease nonmonotonically toward the bulk value as the cluster size increases. We analyze the spatial distribution of the local magnetic moment, which explains why the magnetic moments of Ni clusters are enhanced compared to their bulk value.
Polarizabilities of Intermediate Sized Lithium Clusters From Density-Functional Theory
Zope, Rajendra R; Pederson, Mark R
2007-01-01
We present a detailed investigation of static dipole polarizability of lithium clusters containing up to 22 atoms. We first build a database of lithium clusters by optimizing several candidate structures for the ground state geometry for each size. Full polarizability tensor is determined for about 5-6 isomers of each cluster size using the finite-field method. All calculations are performed using large Gaussian basis sets, and within the generalized gradient approximation to the density functional theory, as implemented in the NRLMOL suite of codes. The average polarizability per atom varies from 11 to 9 Angstrom^3, within the 8-22 size range, in general agreement with experimental results. While the average polarizability exhibits a relatively weak dependence on cluster conformation, significant changes in the degree of anisotropy of the polarizability tensor are observed. Interestingly, in addition to the expected even odd (0 and 1 $\\mu_B$) magnetic states, our results show several cases where clusters wit...
Size controlled near-infrared high-quality PbSe quantum dots
Kalasad, M. N.; Rabinal, M. K.; Mulimani, B. G.; Greenham, N. C.
2015-06-01
Herein, we report the size controlled preparation of PbSe quantum dots (QDs) by non coordinating solvent route using oleic acid as surfactant molecules. The particles size is controlled by varying temperature and time of reaction. The present method of synthesis gives highly stable colloids, spherical in shape, better size tunability, narrow size distribution, extremely small size, monodisperse and exhibit strong near-infrared emission. The estimated particles sizes are in the range of 2 to 8 nm. These PbSe quantum dots are used for applications in optoelectronics and biological imaging.
Salorinne, Kirsi; Chen, Xi; Troff, Ralf W; Nissinen, Maija; Häkkinen, Hannu
2012-07-21
A simple one-pot method for the preparation of subnanometre-size benzotriazolate (BTA) protected copper clusters, Cu(n)BTA(m), is reported. The clusters were analyzed by optical and infrared spectroscopy, mass spectrometry and transmission electron microscopy together with computational methods. We suggest a structural motif where the copper core of the Cu(n)BTA(m) clusters is protected by BTA-Cu(i)-BTA units.
Quantum chemical calculation of the equilibrium structures of small metal atom clusters
Kahn, L. R.
1982-01-01
Metal atom clusters are studied based on the application of ab initio quantum mechanical approaches. Because these large 'molecular' systems pose special practical computational problems in the application of the quantum mechanical methods, there is a special need to find simplifying techniques that do not compromise the reliability of the calculations. Research is therefore directed towards various aspects of the implementation of the effective core potential technique for the removal of the metal atom core electrons from the calculations.
Determination of the nucleus size from the growth probability of clusters
Ter Horst, J.H.; Kashchiev, D.
2003-01-01
Exact and approximate general expressions for the growth and decay probabilities of a cluster in one-component nucleation are given. A method is proposed for a model-independent determination of the nucleus size with the help of data for the dependence of the cluster growth probability on the
Deterministic Secure Quantum Communication with Cluster State and Bell-Basis Measurements
Institute of Scientific and Technical Information of China (English)
YUAN Hao; HE Qin; HU Xiao-Yuan; HOU Kui; HAN Lian-Fang; SHI Shou-Hua
2008-01-01
We present a novel protocol for deterministic secure quantum communication by using the four-qubit cluster state as quantum channel. It is shown that two legitimate users can directly transmit the secret messages based on Bell-basis measurements and classical communication. The present protocol makes use of the ideas of block transmission and decoy particle checking technique. It has a high capacity as each cluster state can carry two bits of information, and has a high intrinsic efficiency because almost all the instances except the decoy checking particles (its number is negligible) are useful. Furthermore, this protocol is feasible with present-day technique.
Institute of Scientific and Technical Information of China (English)
ZHAN Zhi-Ming; LI Wei-Bin
2007-01-01
We present a scheme to generate cluster states with many atoms in cavity QED via Raman transition. In this scheme, no transfer of quantum information between the atoms and cavities is required, the cavity fields are only virtually excited and thus the cavity decay is suppressed during the generation of cluster states. The atoms are always populated in the two ground states. Therefore, the scheme is insensitive to the atomic spontaneous emission and cavity decay. We also show how to transfer quantum information from one atom to another.
DEFF Research Database (Denmark)
Bernard, S.; Kutter, J. P.; Mogensen, K. B.
2014-01-01
Plasmonics is combined with polymer synthesis for rapid fabrication of highly fluorescing silver quantum cluster/polymer composites inside microfluidic channels. UV-light assisted synthesis of polymers has been investigated by a number of groups previously [1], however, plasmon assisted synthesis...... has not been presented before. This should allow highly localized fabrication of porous polymers that are defined by the location of the nanoplasmonic metal film. Silver quantum clusters (AgQCs) consisting of 2-10 atoms can be highly fluorescing in the visible wavelength range and possess a greater...
DEFF Research Database (Denmark)
Bernard, S.; Kutter, J.P.; Mogensen, Klaus Bo
2014-01-01
has not been presented before. This should allow highly localized fabrication of porous polymers that are defined by the location of the nanoplasmonic metal film. Silver quantum clusters (AgQCs) consisting of 2-10 atoms can be highly fluorescing in the visible wavelength range and possess a much......Plasmonics is combined with polymer synthesis for rapid fabrication of highly fluorescing silver quantum cluster / polymer composites inside microfluidic channels. UV-light assisted synthesis of polymers has been investigated by a number of groups previously [1], however, plasmon assisted synthesis...
Padilla, N; López, S; Barrientos, L F; Lira, P; Andrews, H; Tejos, N
2009-01-01
Based on recent results on the frequency of MgII absorption line systems in the "QSO behind RCS clusters" survey (QbC), we analyse the effects of the cluster environment on the sizes of baryonic haloes around galaxies. We use two independent models, i) an empirical halo occupation model which fits current measurements of the clustering and luminosity function of galaxies at low and high redshifts, and ii) the GALFORM semi-analytic model of galaxy formation, which follows the evolution of the galaxy population from first principles, adjusted to match the statistics of low and high redshift galaxies. In both models we constrain the MgII halo sizes of field and cluster galaxies using observational results on the observed MgII statistics. Our results for the field are in good agreement with previous works, indicating a typical \\mgii\\ halo size of $r_MgII ~ 50h_71^-1kpc in the semi-analytic model, and slightly lower in the halo occupation number approach. For the cluster environment, we find that both models requi...
Combinatorial Clustering Algorithm of Quantum-Behaved Particle Swarm Optimization and Cloud Model
Directory of Open Access Journals (Sweden)
Mi-Yuan Shan
2013-01-01
Full Text Available We propose a combinatorial clustering algorithm of cloud model and quantum-behaved particle swarm optimization (COCQPSO to solve the stochastic problem. The algorithm employs a novel probability model as well as a permutation-based local search method. We are setting the parameters of COCQPSO based on the design of experiment. In the comprehensive computational study, we scrutinize the performance of COCQPSO on a set of widely used benchmark instances. By benchmarking combinatorial clustering algorithm with state-of-the-art algorithms, we can show that its performance compares very favorably. The fuzzy combinatorial optimization algorithm of cloud model and quantum-behaved particle swarm optimization (FCOCQPSO in vague sets (IVSs is more expressive than the other fuzzy sets. Finally, numerical examples show the clustering effectiveness of COCQPSO and FCOCQPSO clustering algorithms which are extremely remarkable.
Absence of exponential clustering in quantum Coulomb fluids
Alastuey, A.; Martin, Ph. A.
1989-12-01
We show that the quantum corrections to the classical correlations of a Coulomb fluid do not decay exponentially fast for all values of the thermodynamical parameters. Specifically, the ħ4 term in the Wigner-Kirkwood expansion of the equilibrium charge-charge correlations of the quantum one-component plasma is found to decay like ||r||-10. More generally, using functional integration, we present a diagrammatic representation of the ħ expansion of the correlations in a multicomponent fluid with a locally regularized Coulomb potential and Maxwell-Boltzmann statistics. The ħ2n terms are found to decay algebraically for all n>=2. Furthermore, an analysis of the hierarchy equations for the correlations provides upper bounds that are compatible with the findings of the perturbative expansion. Except for the monopole, all higher-order multipole sum rules do not hold, in general, in the quantum system. This violation of the multipole sum rules as well as the related algebraic tails are due to the intrinsic quantum fluctuations that prevent a perfect organization of the screening clouds. This phenomenon is illustrated in a simpler model where the large-distance correlations between two quantum particles embedded in a classical plasma can be exactly computed.
Manju, Md Abu; Candel, Math J J M; Berger, Martijn P F
2014-07-10
In this paper, the optimal sample sizes at the cluster and person levels for each of two treatment arms are obtained for cluster randomized trials where the cost-effectiveness of treatments on a continuous scale is studied. The optimal sample sizes maximize the efficiency or power for a given budget or minimize the budget for a given efficiency or power. Optimal sample sizes require information on the intra-cluster correlations (ICCs) for effects and costs, the correlations between costs and effects at individual and cluster levels, the ratio of the variance of effects translated into costs to the variance of the costs (the variance ratio), sampling and measuring costs, and the budget. When planning, a study information on the model parameters usually is not available. To overcome this local optimality problem, the current paper also presents maximin sample sizes. The maximin sample sizes turn out to be rather robust against misspecifying the correlation between costs and effects at the cluster and individual levels but may lose much efficiency when misspecifying the variance ratio. The robustness of the maximin sample sizes against misspecifying the ICCs depends on the variance ratio. The maximin sample sizes are robust under misspecification of the ICC for costs for realistic values of the variance ratio greater than one but not robust under misspecification of the ICC for effects. Finally, we show how to calculate optimal or maximin sample sizes that yield sufficient power for a test on the cost-effectiveness of an intervention.
Sizes and shapes of young star cluster light profiles in M83
Ryon, J. E.; Bastian, N.; Adamo, A.; Konstantopoulos, I. S.; Gallagher, J. S.; Larsen, S.; Hollyhead, K.; Silva-Villa, E.; Smith, L. J.
2015-09-01
We measure the radii and two-dimensional light profiles of a large sample of young, massive star clusters in M83 using archival HST/Wide Field Camera 3 (WFC3) imaging of seven adjacent fields. We use GALFIT to fit the two-dimensional light profiles of the clusters, from which we find effective (half-light) radii, core radii, and slopes of the power-law (EFF) profile (η). We find lognormal distributions of effective radius and core radius, with medians of ≈2.5 and ≈1.3 pc, respectively. Our results provide strong evidence for a characteristic size of young, massive clusters. The average effective radius and core radius increase somewhat with cluster age. Little to no change in effective radius is observed with increasing galactocentric distance, except perhaps for clusters younger than 100 Myr. We find a shallow correlation between effective radius and mass for the full cluster sample, but a stronger correlation is present for clusters 200-300 Myr in age. Finally, the majority of the clusters are best fit by an EFF model with index η ≲ 3.0. There is no strong evidence for change in η with cluster age, mass, or galactocentric distance. Our results suggest that clusters emerge from early evolution with similar radii and are not strongly affected by the tidal field of M83. Mass-loss due to stellar evolution and/or giant molecular cloud interactions appear to dominate cluster expansion in the age range we study.
Van Hoof, Dennis; Mendelsohn, Adam D; Seerke, Rina; Desai, Tejal A; German, Michael S
2011-05-01
Pancreatic β-cells function optimally when clustered in islet-like structures. However, nutrient and oxygen deprivation limits the viability of cells at the core of excessively large clusters. Hence, production of functional β-cells from human embryonic stem cells (hESCs) for patients with diabetes would benefit from the growth and differentiation of these cells in size-controlled aggregates. In this study, we controlled cluster size by seeding hESCs onto glass cover slips patterned by the covalent microcontact-printing of laminin in circular patches of 120 μm in diameter. These were used as substrates to grow and differentiate hESCs first into SOX17-positive/SOX7-negative definitive endoderm, after which many clusters released and formed uniformly sized three-dimensional clusters. Both released clusters and those that remained attached differentiated into HNF1β-positive primitive gut tube-like cells with high efficiency. Further differentiation yielded pancreatic endoderm-like cells that co-expressed PDX1 and NKX6.1. Controlling aggregate size allows efficient production of uniformly-clustered pancreatic endocrine precursors for in vivo engraftment or further in vitro maturation.
Energy Technology Data Exchange (ETDEWEB)
Mitric, Roland; Buergel, Christian; Petersen, Jens; Kulesza, Alexander; Bonacic-Koutecky, Vlasta [Humboldt-Universitaet zu Berlin, Institut fuer Chemie, Brook-Taylor-Str. 2, D-12489 Berlin (Germany)
2008-07-01
Silver clusters interacting with different environments such as surfaces or biomolecules exhibit fascinating absorption and emissive properties which can be exploited for biosensing and optoelectronic applications. We address theoretically size dependent structural and optical properties of silver clusters Ag{sub n} (n=2,4,6,8) suppported on MgO surface as well as optical properties of silver-cluster tryptophan hybrid systems Trp-Ag{sub n}{sup +} (n=1-9). Our results on supported silver clusters provide insight into the mechanism responsible for absorption and emission patterns arising from interaction between the excitation within the cluster and the environment. We demonstrate that small clusters such as Ag{sub 4} are good candidates for fluorescence centers in the visible regime. Furthermore, in the Trp-Ag{sub n}{sup +} hybrid system we identified different types of charge transfer between the silver and biomolecule subunits. Remarkably, we observe a strong reduction of the photofragmentation yield in Trp-Ag{sub 9}{sup +} in comparison with free Ag{sub 9}{sup +} which may be attributed to energy dissipation by fluorescence. Thus, the unique optical properties of supported silver nanoclusters combined with the specific bio-recognition of biomolecules will provide fundamentals for the future development of fluorescent nanocluster-based biochips.
Platinum Clusters on Vacancy-Type Defects of Nanometer-Sized Graphene Patches
Directory of Open Access Journals (Sweden)
Hisayoshi Kobayashi
2012-07-01
Full Text Available Density functional theory calculations found that spin density distributions of platinum clusters adsorbed on nanometer-size defective graphene patches with zigzag edges deviate strongly from those in the corresponding bare clusters, due to strong Pt-C interactions. In contrast, platinum clusters on the pristine patch have spin density distributions similar to the bare cases. The different spin density distributions come from whether underlying carbon atoms have radical characters or not. In the pristine patch, center carbon atoms do not have spin densities, and they cannot influence radical characters of the absorbed cluster. In contrast, radical characters appear on the defective sites, and thus spin density distributions of the adsorbed clusters are modulated by the Pt-C interactions. Consequently, characters of platinum clusters adsorbed on the sp^{2} surface can be changed by introducing vacancy-type defects.
Quantum beam generations via the laser-cluster interactions
Fukuda, Yuji; Faenov, Anatoly; Pikuz, Tania; Tampo, Motonobu; Yogo, Akifumi; Kando, Masaki; Hayashi, Yukio; Kameshima, Takeshi; Homma, Takayuki; Pirozhkov, Alexander; Kato, Yoshiaki; Tajima, Toshiki; Daido, Hiroyuki; Bulanov, Sergei
2008-11-01
The novel soft X-ray light source using the supersonic expansion of the mixed gas of He and CO2, when irradiated by a femtosecond Ti:sapphire laser pulse, is observed to enhance the radiation of soft X-rays from the CO2 clusters. Using this soft X-ray emissions, nanostructure images of 100-nm thick Mo foils in a wide field of view (mm^2 scale) with high spatial resolution (800 nm) are obtained with high dynamic range LiF crystal detectors. We also demonstrate the acceleration of charged particles via the laser-cluster interactions.
Directory of Open Access Journals (Sweden)
G. Palma
2015-06-01
Full Text Available Motivated by the numerical simulation of systems which display quantum phase transitions, we present a novel application of the meron-cluster algorithm to simulate the quantum antiferromagnetic Heisenberg model coupled to an external uniform magnetic field both in one and in two dimensions. In the infinite volume limit and at zero temperature we found numerical evidence that supports a quantum phase transition very close to the critical values B_c=2 and B_c = 4 for the system in one and two dimensions, respectively. For the one dimensional system, we have compared the numerical data obtained with analytical predictions for the magnetization density as a function of the external field obtained by scaling-behaviour analysis and Bethe Ansatz techniques. Since there is no analytical solution for the two dimensional case, we have compared our results with the magnetization density obtained by scaling relations for small lattice sizes and with the approximated thermodynamical limit at zero temperature guessed by scaling relations. Moreover, we have compared the numerical data with other numerical simulations performed by using different algorithms in one and two dimensions, like the directed loop method. The numerical data obtained are in perfect agreement with all these previous results, which confirms that the meron-algorithm is reliable for quantum Monte Carlo simulations and applicable both in one and two dimensions. Finally, we have computed the integrated autocorrelation time to measure the efficiency of the meron algorithm in one dimension.
Subcascade formation and defect cluster size scaling in high-energy collision events in metals
De Backer, A.; Sand, A. E.; Nordlund, K.; Luneville, L.; Simeone, D.; Dudarev, S. L.
2016-07-01
It has been recently established that the size of the defects created under ion irradiation follows a scaling law (Sand A. E. et al., EPL, 103 (2013) 46003; Yi X. et al., EPL, 110 (2015) 36001). A critical constraint associated with its application to phenomena occurring over a broad range of irradiation conditions is the limitation on the energy of incident particles. Incident neutrons or ions, with energies exceeding a certain energy threshold, produce a complex hierarchy of collision subcascade events, which impedes the use of the defect cluster size scaling law derived for an individual low-energy cascade. By analyzing the statistics of subcascade sizes and energies, we show that defect clustering above threshold energies can be described by a product of two scaling laws, one for the sizes of subcascades and the other for the sizes of defect clusters formed in subcascades. The statistics of subcascade sizes exhibits a transition at a threshold energy, where the subcascade morphology changes from a single domain below the energy threshold, to several or many sub-domains above the threshold. The number of sub-domains then increases in proportion to the primary knock-on atom energy. The model has been validated against direct molecular-dynamics simulations and applied to W, Fe, Be, Zr and sixteen other metals, enabling the prediction of full statistics of defect cluster sizes with no limitation on the energy of cascade events. We find that populations of defect clusters produced by the fragmented high-energy cascades are dominated by individual Frenkel pairs and relatively small defect clusters, whereas the lower-energy non-fragmented cascades produce a greater proportion of large defect clusters.
Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure
Shen, Yangchao; Zhang, Xiang; Zhang, Shuaining; Zhang, Jing-Ning; Yung, Man-Hong; Kim, Kihwan
2017-02-01
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used ab initio methods, which is critically limited by its nonunitary nature. The unitary modification as an ideal solution to the problem is, however, extremely inefficient in classical conventional computation. Here, we provide experimental evidence that indeed the unitary version of the coupled-cluster ansatz can be reliably performed in a physical quantum system, a trapped-ion system. We perform a simulation on the electronic structure of a molecular ion (HeH+), where the ground-state energy surface curve is probed, the energies of the excited states are studied, and bond dissociation is simulated nonperturbatively. Our simulation takes advantages from quantum computation to overcome the intrinsic limitations in classical computation, and our experimental results indicate that the method is promising for preparing molecular ground states for quantum simulations.
Quantum teleportation and information splitting via four-qubit cluster state and a Bell state
Ramírez, Marlon David González; Falaye, Babatunde James; Sun, Guo-Hua; Cruz-Irisson, M.; Dong, Shi-Hai
2017-10-01
Quantum teleportation provides a "bodiless" way of transmitting the quantum state from one object to another, at a distant location, using a classical communication channel and a previously shared entangled state. In this paper, we present a tripartite scheme for probabilistic teleportation of an arbitrary single qubit state, without losing the information of the state being teleported, via a fourqubit cluster state of the form | ϕ>1234 = α|0000>+ β|1010>+ γ|0101>- η|1111>, as the quantum channel, where the nonzero real numbers α, β, γ, and η satisfy the relation j αj2 + | β|2 + | γ|2 + | η|2 = 1. With the introduction of an auxiliary qubit with state |0>, using a suitable unitary transformation and a positive-operator valued measure (POVM), the receiver can recreate the state of the original qubit. An important advantage of the teleportation scheme demonstrated here is that, if the teleportation fails, it can be repeated without teleporting copies of the unknown quantum state, if the concerned parties share another pair of entangled qubit. We also present a protocol for quantum information splitting of an arbitrary two-particle system via the aforementioned cluster state and a Bell-state as the quantum channel. Problems related to security attacks were examined for both the cases and it was found that this protocol is secure. This protocol is highly efficient and easy to implement.
Observation of propane cluster size distributions during nucleation and growth in a Laval expansion
Ferreiro, Jorge J.; Chakrabarty, Satrajit; Schläppi, Bernhard; Signorell, Ruth
2016-12-01
We report on molecular-level studies of the condensation of propane gas and propane/ethane gas mixtures in the uniform (constant pressure and temperature) postnozzle flow of Laval expansions using soft single-photon ionization by vacuum ultraviolet light and mass spectrometric detection. The whole process, from the nucleation to the growth to molecular aggregates of sizes of several nanometers (˜5 nm), can be monitored at the molecular level with high time-resolution (˜3 μs) for a broad range of pressures and temperatures. For each time, pressure, and temperature, a whole mass spectrum is recorded, which allows one to determine the critical cluster size range for nucleation as well as the kinetics and mechanisms of cluster-size specific growth. The detailed information about the size, composition, and population of individual molecular clusters upon condensation provides unique experimental data for comparison with future molecular-level simulations.
Lack of Dependence of the Sizes of the Mesoscopic Protein Clusters on Electrostatics.
Vorontsova, Maria A; Chan, Ho Yin; Lubchenko, Vassiliy; Vekilov, Peter G
2015-11-03
Protein-rich clusters of steady submicron size and narrow size distribution exist in protein solutions in apparent violation of the classical laws of phase equilibrium. Even though they contain a minor fraction of the total protein, evidence suggests that they may serve as essential precursors for the nucleation of ordered solids such as crystals, sickle-cell hemoglobin polymers, and amyloid fibrils. The cluster formation mechanism remains elusive. We use the highly basic protein lysozyme at nearly neutral and lower pH as a model and explore the response of the cluster population to the electrostatic forces, which govern numerous biophysical phenomena, including crystallization and fibrillization. We tune the strength of intermolecular electrostatic forces by varying the solution ionic strength I and pH and find that despite the weaker repulsion at higher I and pH, the cluster size remains constant. Cluster responses to the presence of urea and ethanol demonstrate that cluster formation is controlled by hydrophobic interactions between the peptide backbones, exposed to the solvent after partial protein unfolding that may lead to transient protein oligomers. These findings reveal that the mechanism of the mesoscopic clusters is fundamentally different from those underlying the two main classes of ordered protein solid phases, crystals and amyloid fibrils, and partial unfolding of the protein chain may play a significant role.
Fragmentation and reliable size distributions of large ammonia and water clusters
Bobbert, C.; Schütte, S.; Steinbach, C.; Buck, U.
2002-05-01
The interaction of large ammonia and water clusters in the size range from < n rangle = 10 to 3 400 with electrons is investigated in a reflectron time-of-flight mass spectrometer. The clusters are generated in adiabatic expansions through conical nozzles and are nearly fragmentation free detected by single photon ionization after they have been doped by one sodium atom. For ammonia also the (1+1) resonance enhanced two photon ionization through the tilde A state with v=6 operates similarly. In this way reliable size distributions of the neutral clusters are obtained which are analyzed in terms of a modified scaling law of the Hagena type [Surf. Sci. 106, 101 (1981)]. In contrast, using electron impact ionization, the clusters are strongly fragmented when varying the electron energy between 150 and 1 500 eV. The number of evaporated molecules depends on the cluster size and the energy dependence follows that of the stopping power of the solid material. Therefore we attribute the operating mechanism to that which is also responsible for the electronic sputtering of solid matter. The yields, however, are orders of magnitude larger for clusters than for the solid. This result is a consequence of the finite dimensions of the clusters which cannot accommodate the released energy.
Cluster态的量子签名方案%Cluster state quantum entangled signature scheme
Institute of Scientific and Technical Information of China (English)
王郁武
2012-01-01
提出一种利用Cluster state纠缠态实现的量子签名方案.该方案中用Cluster态作为量子信道,每一组量子比特串分别分发给消息拥有和签名者Alice、公证人TA、验签名者Bob.加载消息的方法是Alice在TA规定量子比特串序列下,分别对拥有的量子比特对的第一个量子比特进行幺正变换操作而进行.对拥有的量子比特对进行的Bell测量结果是消息的签名.Bob对拥有的对应的两个量子比特对进行Bell测量来验证签名,但要得到公证人TA对其约束才能完成.Cluster state纠缠态在纠缠特性、局域操作保真性和安全性有较好的性能.%A scheme of using Cluster quantum entangled state to quantum signature is presented. Cluster state of the program is used as a quantum channel, and each group of quantum bit string signed by Alice is distributed to Alice, notaries TA and inspection signer Bob. The way of loading message is that Alice does transformation operation on the first qubit unitary respectively, and the Bell measurement results of quantum bits are the signature of a message. Bob does the Bell measurement on the corresponding two-qubit to verify the signature, but it must be restricted by the notary TA. It is verified that Cluster state entanglement properties of entangled state, security, local operators have better performance.
Multidistribution Center Location Based on Real-Parameter Quantum Evolutionary Clustering Algorithm
Directory of Open Access Journals (Sweden)
Huaixiao Wang
2014-01-01
Full Text Available To determine the multidistribution center location and the distribution scope of the distribution center with high efficiency, the real-parameter quantum-inspired evolutionary clustering algorithm (RQECA is proposed. RQECA is applied to choose multidistribution center location on the basis of the conventional fuzzy C-means clustering algorithm (FCM. The combination of the real-parameter quantum-inspired evolutionary algorithm (RQIEA and FCM can overcome the local search defect of FCM and make the optimization result independent of the choice of initial values. The comparison of FCM, clustering based on simulated annealing genetic algorithm (CSAGA, and RQECA indicates that RQECA has the same good convergence as CSAGA, but the search efficiency of RQECA is better than that of CSAGA. Therefore, RQECA is more efficient to solve the multidistribution center location problem.
Cluster-seeded synthesis of doped CdSe:Cu4 quantum dots.
Jawaid, Ali M; Chattopadhyay, Soma; Wink, Donald J; Page, Leah E; Snee, Preston T
2013-04-23
We report here a method for synthesizing CdSe quantum dots (QDs) containing copper such that each QD is doped with four copper ions. The synthesis is a derivative of the cluster-seed method, whereby organometallic clusters act as nucleation centers for quantum dots. The method is tolerant of the chemical identity of the seed; as such, we have doped four copper ions into CdSe QDs using [Na(H2O)3]2[Cu4(SPh)6] as a cluster seed. The controlled doping allows us to monitor the photophysical properties of guest ions with X-ray spectroscopy, specifically XANES and EXAFS at the copper K-edge. These data reveal that copper can capture both electrons and holes from photoexcited CdSe QDs. When the dopant is oxidized, photoluminescence is quenched and the copper ions translocate within the CdSe matrix, which slows the return to an emissive state.
Kallin, Ann B; Hyatt, Katharine; Singh, Rajiv R P; Melko, Roger G
2013-03-29
We develop a method to calculate the bipartite entanglement entropy of quantum models, in the thermodynamic limit, using a numerical linked-cluster expansion (NLCE) involving only rectangular clusters. It is based on exact diagonalization of all n×m rectangular clusters at the interface between entangled subsystems A and B. We use it to obtain the Renyi entanglement entropy of the two-dimensional transverse field Ising model, for arbitrary real Renyi index α. Extrapolating these results as a function of the order of the calculation, we obtain universal pieces of the entanglement entropy associated with lines and corners at the quantum critical point. They show NLCE to be one of the few methods capable of accurately calculating universal properties of arbitrary Renyi entropies at higher dimensional critical points.
DEFF Research Database (Denmark)
Bernard, S.; Kutter, J. P.; Mogensen, K. B.
2014-01-01
has not been presented before. This should allow highly localized fabrication of porous polymers that are defined by the location of the nanoplasmonic metal film. Silver quantum clusters (AgQCs) consisting of 2-10 atoms can be highly fluorescing in the visible wavelength range and possess a greater......Plasmonics is combined with polymer synthesis for rapid fabrication of highly fluorescing silver quantum cluster/polymer composites inside microfluidic channels. UV-light assisted synthesis of polymers has been investigated by a number of groups previously [1], however, plasmon assisted synthesis...... photostability than organic fluorophores [2]. In this work AgQCs are embedded into the oligoaniline porous matrix and is tested for indirect fluorescence detection of cyanide in a simple microfluidic device (Fig. 1). Imaging of individual silver clusters inside the channel (Fig. 1) is made possible by using 100x...
Mörchen, Fabian
2004-03-01
The performance of feed-forward neural networks trained with the backpropagation algorithm on a dedicated Beowulf cluster is analyzed. The concept of training set parallelism is applied. A new model for run time and speedup prediction is developed. With the model the speedup and efficiency of one iteration of the neural networks can be estimated as a function of block size and cluster size. The model is applied to three example problems representing different applications and network architectures. The estimation of the model has a higher accuracy than traditional methods for run time estimation and can be efficiently calculated. Experiments show that speedup of one iteration does not necessarily translate to a shorter training time toward a given error level. To overcome this problem a heuristic extension to training set parallelism called weight averaging is developed. The results show that training in parallel should only be done on clusters with high performance network connections or a multiprocessor machine. A rule of thumb is given for how much network performance of the cluster is needed to achieve speedup of the training time for a neural network.
Melting of size-selected gallium clusters with 60-183 atoms.
Pyfer, Katheryne L; Kafader, Jared O; Yalamanchali, Anirudh; Jarrold, Martin F
2014-07-10
Heat capacities have been measured as a function of temperature for size-selected gallium cluster cations with between 60 and 183 atoms. Almost all clusters studied show a single peak in the heat capacity that is attributed to a melting transition. The peaks can be fit by a two-state model incorporating only fully solid-like and fully liquid-like species, and hence no partially melted intermediates. The exceptions are Ga90(+), which does not show a peak, and Ga80(+) and Ga81(+), which show two peaks. For the clusters with two peaks, the lower temperature peak is attributed to a structural transition. The melting temperatures for clusters with less than 50 atoms have previously been shown to be hundreds of degrees above the bulk melting point. For clusters with more than 60 atoms the melting temperatures decrease, approaching the bulk value (303 K) at around 95 atoms, and then show several small upward excursions with increasing cluster size. A plot of the latent heat against the entropy change for melting reveals two groups of clusters: the latent heats and entropy changes for clusters with less than 94 atoms are distinct from those for clusters with more than 93 atoms. This observation suggests that a significant change in the nature of the bonding or the structure of the clusters occurs at 93-94 atoms. Even though the melting temperatures are close to the bulk value for the larger clusters studied here, the latent heats and entropies of melting are still far from the bulk values.
Bivariate Mixed Effects Analysis of Clustered Data with Large Cluster Sizes.
Zhang, Daowen; Sun, Jie Lena; Pieper, Karen
2016-10-01
Linear mixed effects models are widely used to analyze a clustered response variable. Motivated by a recent study to examine and compare the hospital length of stay (LOS) between patients undertaking percutaneous coronary intervention (PCI) and coronary artery bypass graft (CABG) from several international clinical trials, we proposed a bivariate linear mixed effects model for the joint modeling of clustered PCI and CABG LOS's where each clinical trial is considered a cluster. Due to the large number of patients in some trials, commonly used commercial statistical software for fitting (bivariate) linear mixed models failed to run since it could not allocate enough memory to invert large dimensional matrices during the optimization process. We consider ways to circumvent the computational problem in the maximum likelihood (ML) inference and restricted maximum likelihood (REML) inference. Particularly, we developed an expected and maximization (EM) algorithm for the REML inference and presented an ML implementation using existing software. The new REML EM algorithm is easy to implement and computationally stable and efficient. With this REML EM algorithm, we could analyze the LOS data and obtained meaningful results.
Quantum state discrimination bounds for finite sample size
Audenaert, Koenraad M R; Verstraete, Frank
2012-01-01
In the problem of quantum state discrimination, one has to determine by measurements the state of a quantum system, based on the a priori side information that the true state is one of two given and completely known states, rho or sigma. In general, it is not possible to decide the identity of the true state with certainty, and the optimal measurement strategy depends on whether the two possible errors (mistaking rho for sigma, or the other way around) are treated as of equal importance or not. Recent results on the quantum Chernoff and Hoeffding bounds show that, if several copies of the system are available then the optimal error probabilities decay exponentially in the number of copies, and the decay rate is given by a certain statistical distance between rho and sigma (the Chernoff distance and the Hoeffding distances, respectively). While these results provide a complete solution for the asymptotic problem, they are not completely satisfying from a practical point of view. Indeed, in realistic scenarios ...
Photometry of Star Clusters in the M31 Galaxy. Aperture Size Effects
Narbutis, D; Kodaira, K; Bridzius, A; Stonkute, R
2007-01-01
A study of aperture size effects on star cluster photometry in crowded fields is presented. Tests were performed on a sample of 285 star cluster candidates in the South-West field of the M31 galaxy disk, measured in the Local Group Galaxy Survey mosaic images (Massey et al. 2006). In the majority of cases the derived UBVRI photometry errors represent the accuracy of cluster colors well, however, for faint objects, residing in crowded environments, uncertainties of colors could be underestimated. Therefore, prior to deriving cluster parameters via a comparison of measured colors with SSP models, biases of colors, arising due to background crowding, must be taken into account. A comparison of our photometry data with Hubble Space Telescope observations of the clusters by Krienke and Hodge (2007) is provided.
Structure and energetics of nanometer size clusters of sulfuric acid with ammonia and dimethylamine.
DePalma, Joseph W; Bzdek, Bryan R; Doren, Douglas J; Johnston, Murray V
2012-01-26
The structures of positively and negatively charged clusters of sulfuric acid with ammonia and/or dimethylamine ((CH(3))(2)NH or DMA) are investigated using a combination of Monte Carlo configuration sampling, semiempirical calculations, and density functional theory (DFT) calculations. Positively charged clusters of the formula [(NH(4)(+))(x)(HSO(4)(-))(y)](+), where x = y + 1, are studied for 1 ≤ y ≤ 10. These clusters exhibit strong cation-anion interactions, with no contribution to the hydrogen-bonding network from the bisulfate ion protons. A similar hydrogen-bonding network is found for the [(DMAH(+))(5)(HSO(4)(-))(4)](-) cluster. Negatively charged clusters derived from the reaction of DMA with [(H(2)SO(4))(3)(NH(4)(+))(HSO(4)(-))(2)](-) are also studied, up to the fully reacted cluster [(DMAH(+))(4)(HSO(4)(-))(5)](-). These clusters exhibit anion-anion and ion-molecule interactions in addition to cation-anion interactions. While the hydrogen-bonding network is extensive for both positively and negatively charged clusters, the binding energies of ions and molecules in these clusters are determined mostly by electrostatic interactions. The thermodynamics of amine substitution is explored and compared to experimental thermodynamic and kinetic data. Ammonia binds more strongly than DMA to sulfuric acid due to its greater participation in hydrogen bonding and its ability to form a more compact structure that increases electrostatic attraction between oppositely charged ions. However, the greater gas-phase basicity of DMA is sufficient to overcome the stronger binding of ammonia, making substitution of DMA for ammonia thermodynamically favorable. For small clusters of both polarities, substitutions of surface ammonium ions are facile. As the cluster size increases, an ammonium ion becomes encapsulated in the center of the cluster, making it inaccessible to substitution.
How can young massive clusters reach their present-day sizes?
Banerjee, Sambaran; Kroupa, Pavel
2017-01-01
Context. The classic question of how young massive star clusters attain the shapes and sizes, as we find them today, is still a difficult one. Both observational and computational studies of star-forming massive molecular gas clouds suggest that massive cluster formation is primarily triggered along the small-scale (≲0.3 pc) filamentary substructures within the clouds. Aims: The present study investigates the possible ways in which a filament-like, compact, massive star cluster (effective radius 0.1-0.3 pc) can expand more than 10 times, still remaining massive enough (≳ 104M⊙) to become the young massive star cluster that we observe today. Methods: To this end, model massive clusters (initially 104-105M⊙) are evolved using Sverre Aarseth's state-of-the-art N-body code NBODY7. Apart from the accurate calculation of two-body relaxation of the constituent stars, these evolutionary models take into account stellar-evolutionary mass loss and dynamical energy injection due to massive, tight primordial binaries and stellar-remnant black holes and neutron stars. These calculations also include a solar-neighbourhood-like external tidal field. All the computed clusters expand with time, and their sizes (effective radii) are compared with those observed for young massive clusters (≲ 100 Myr) in the Milky Way and other nearby galaxies. Results: In this study, it is found that beginning from the above compact sizes, a star cluster cannot expand on its own, i.e., due to two-body relaxation, stellar mass loss, and dynamical heating by primordial binaries and compact stars up to the observed sizes of young massive clusters; star clusters always remain much more compact than the observed ones. Conclusions: This calls for additional mechanisms that boost the expansion of a massive cluster after its assembly. Using further N-body calculations, it is shown that a substantial residual gas expulsion with ≈ 30% star formation efficiency can indeed swell the newborn embedded
Westgate, Philip M; Braun, Thomas M
2012-09-10
Generalized estimating equations (GEE) are commonly used for the analysis of correlated data. However, use of quadratic inference functions (QIFs) is becoming popular because it increases efficiency relative to GEE when the working covariance structure is misspecified. Although shown to be advantageous in the literature, the impacts of covariates and imbalanced cluster sizes on the estimation performance of the QIF method in finite samples have not been studied. This cluster size variation causes QIF's estimating equations and GEE to be in separate classes when an exchangeable correlation structure is implemented, causing QIF and GEE to be incomparable in terms of efficiency. When utilizing this structure and the number of clusters is not large, we discuss how covariates and cluster size imbalance can cause QIF, rather than GEE, to produce estimates with the larger variability. This occurrence is mainly due to the empirical nature of weighting QIF employs, rather than differences in estimating equations classes. We demonstrate QIF's lost estimation precision through simulation studies covering a variety of general cluster randomized trial scenarios and compare QIF and GEE in the analysis of data from a cluster randomized trial. Copyright © 2012 John Wiley & Sons, Ltd.
Designing artificial 2D crystals with site and size controlled quantum dots.
Xie, Xuejun; Kang, Jiahao; Cao, Wei; Chu, Jae Hwan; Gong, Yongji; Ajayan, Pulickel M; Banerjee, Kaustav
2017-08-30
Ordered arrays of quantum dots in two-dimensional (2D) materials would make promising optical materials, but their assembly could prove challenging. Here we demonstrate a scalable, site and size controlled fabrication of quantum dots in monolayer molybdenum disulfide (MoS2), and quantum dot arrays with nanometer-scale spatial density by focused electron beam irradiation induced local 2H to 1T phase change in MoS2. By designing the quantum dots in a 2D superlattice, we show that new energy bands form where the new band gap can be controlled by the size and pitch of the quantum dots in the superlattice. The band gap can be tuned from 1.81 eV to 1.42 eV without loss of its photoluminescence performance, which provides new directions for fabricating lasers with designed wavelengths. Our work constitutes a photoresist-free, top-down method to create large-area quantum dot arrays with nanometer-scale spatial density that allow the quantum dots to interfere with each other and create artificial crystals. This technique opens up new pathways for fabricating light emitting devices with 2D materials at desired wavelengths. This demonstration can also enable the assembly of large scale quantum information systems and open up new avenues for the design of artificial 2D materials.
How can young massive clusters reach their present-day sizes?
Banerjee, Sambaran
2015-01-01
The classic question that how young massive star clusters attain their shapes and sizes, as we find them today, remains to be a challenge. Both observational and computational studies of star-forming massive molecular gas clouds infer that massive cluster formation is primarily triggered along the small-scale ($\\lesssim0.3$ pc) filamentary substructures within the clouds. The present study is intended to investigate the possible ways in which a filament-like-compact, massive star cluster (effective radius 0.1-0.3 pc) can expand $\\gtrsim10$ times, still remaining massive enough ($\\gtrsim10^4 M_\\odot$), to become a young massive star cluster, as we observe today. To that end, model massive clusters (of initially $10^4 M_\\odot-10^5 M_\\odot$) are evolved using Sverre Aarseth's state-of-the-art N-body code NBODY7. All the computed clusters expand with time, whose sizes (effective radii) are compared with those observed for young massive clusters, of age $\\lesssim100$ Myr, in the Milky Way and other nearby galaxies...
Enhanced quantum coherence in graphene caused by Pd cluster deposition
Energy Technology Data Exchange (ETDEWEB)
Qin, Yuyuan; Han, Junhao; Du, Yongping; Li, Zhaoguo; Wan, Xiangang; Han, Min; Song, Fengqi, E-mail: songfengqi@nju.edu.cn [National Laboratory of Solid State Microstructures, Collaborative Innovation Center of Advanced Microstructures, and Department of Physics, Nanjing University, Nanjing 210093 (China); Guo, Guoping [Key Lab of Quantum Information, CAS, University of Science and Technology of China, Hefei 230026 (China); Song, You [Collaborative Innovation Center of Advanced Microstructures, State Key Laboratory of Coordination Chemistry, and School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China); Pi, Li [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230027 (China); Wang, Xuefeng [School of Electronic Science and Engineering and National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China)
2015-01-12
We report on the unexpected increase in the dephasing lengths of a graphene sheet caused by the deposition of Pd nanoclusters, as demonstrated by weak localization measurements. The dephasing lengths reached saturated values at low temperatures. Theoretical calculations indicate the p-type charge transfer from the Pd clusters, which contributes more carriers. The saturated values of dephasing lengths often depend on both the carrier concentration and mean free path. Although some impurities are increased as revealed by decreased mobilities, the intense charge transfer leads to the improved saturated values and subsequent improved dephasing lengths.
QUANTUM SIZE EFFECTS IN THE ATTRACTIVE HUBBARD-MODEL
BORMANN, D; SCHNEIDER, T; FRICK, M
1992-01-01
We investigate superconducting pair correlations in the attractive Hubbard model on a finite square lattice. Our aim is to understand the pronounced size dependence which they display in the weak and intermediate coupling regimes. These size effects originate from the electronic shell structure of f
Unravelling the size and temperature dependence of exciton lifetimes in colloidal ZnSe quantum dots
Eilers, Joren; Van Hest, Jacobine|info:eu-repo/dai/nl/371572622; Meijerink, A|info:eu-repo/dai/nl/075044986; Donega, Celso De Mello|info:eu-repo/dai/nl/125593899
2014-01-01
We report on the temperature dependence of the band-edge photoluminescence decay of organically capped colloidal ZnSe quantum dots (QDs) in the size range from 4.0 to 7.5 nm. A similar trend is observed for all investigated sizes: the decay time is short (∼5 ns) above 20 K and increases sharply
Experimental realization of one-way quantum computing with two-photon four-qubit cluster states.
Chen, Kai; Li, Che-Ming; Zhang, Qiang; Chen, Yu-Ao; Goebel, Alexander; Chen, Shuai; Mair, Alois; Pan, Jian-Wei
2007-09-21
We report an experimental realization of one-way quantum computing on a two-photon four-qubit cluster state. This is accomplished by developing a two-photon cluster state source entangled both in polarization and spatial modes. With this special source, we implemented a highly efficient Grover's search algorithm and high-fidelity two-qubit quantum gates. Our experiment demonstrates that such cluster states could serve as an ideal source and a building block for rapid and precise optical quantum computation.
Kelkar, Kshitija; Gray, Meghan E; Maltby, David; Vulcani, Benedetta; De Lucia, Gabriella; Poggianti, Bianca M; Zaritsky, Dennis
2015-01-01
In order to assess whether the environment has a significant effect on galaxy sizes, we compare the mass--size relations of cluster and field galaxies in the $0.4 1$), with early-type/passive galaxies in higher density environments growing earlier. Such dependence disappears at lower redshifts. Therefore, if the reported difference at higher-$z$ is real, the growth of field galaxies has caught up with that of cluster galaxies by $z\\sim1$. Any putative mechanism responsible for galaxy growth has to account for the existence of environmental differences at high redshift and their absence (or weakening) at lower redshifts.
The DSUBm approximation scheme for the coupled cluster method and applications to quantum magnets
Directory of Open Access Journals (Sweden)
R.F. Bishop
2009-01-01
Full Text Available A new approximate scheme, DSUBm, is described for the coupled cluster method. We apply it to two well-studied (spin-1/2 Heisenberg antiferromagnet spin-lattice models, namely: the XXZ and the XY models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the sublattice magnetization and the quantum critical point. They are in good agreement with those from such alternative methods as spin-wave theory, series expansions, exact diagonalization techniques, quantum Monte Carlo methods and those from the CCM using the LSUBm scheme.
Ryan, Duncan P.; Goodwin, Peter M.; Sheehan, Chris J.; Whitcomb, Kevin J.; Gelfand, Martin P.; Van Orden, Alan
2016-02-01
Clusters of quantum dots exhibit fluorescent behavior that differs from that of individual particles. Bulk measurements involving a large number of particles obscure these dynamics. Synthesizing clusters with 5-10 particles enables the study of collective behavior where single-molecule fluorescence techniques can be applied. Super-resolution microscopy of these clusters correlated with SEM imaging reveals the influence of geometry and structure on emission dynamics. Signatures of energy transfer can be seen in the form of enhanced blinking. Motion of the emission center of the cluster is tracked, made possible by the independent blinking events of the individual particles. Discrete steps in the localization are observed as random switching between various on/off configurations moves the location of the emission center.
Ing, Alex; Schwarzbauer, Christian
2014-01-01
Functional connectivity has become an increasingly important area of research in recent years. At a typical spatial resolution, approximately 300 million connections link each voxel in the brain with every other. This pattern of connectivity is known as the functional connectome. Connectivity is often compared between experimental groups and conditions. Standard methods used to control the type 1 error rate are likely to be insensitive when comparisons are carried out across the whole connectome, due to the huge number of statistical tests involved. To address this problem, two new cluster based methods – the cluster size statistic (CSS) and cluster mass statistic (CMS) – are introduced to control the family wise error rate across all connectivity values. These methods operate within a statistical framework similar to the cluster based methods used in conventional task based fMRI. Both methods are data driven, permutation based and require minimal statistical assumptions. Here, the performance of each procedure is evaluated in a receiver operator characteristic (ROC) analysis, utilising a simulated dataset. The relative sensitivity of each method is also tested on real data: BOLD (blood oxygen level dependent) fMRI scans were carried out on twelve subjects under normal conditions and during the hypercapnic state (induced through the inhalation of 6% CO2 in 21% O2 and 73%N2). Both CSS and CMS detected significant changes in connectivity between normal and hypercapnic states. A family wise error correction carried out at the individual connection level exhibited no significant changes in connectivity. PMID:24906136
Ing, Alex; Schwarzbauer, Christian
2014-01-01
Functional connectivity has become an increasingly important area of research in recent years. At a typical spatial resolution, approximately 300 million connections link each voxel in the brain with every other. This pattern of connectivity is known as the functional connectome. Connectivity is often compared between experimental groups and conditions. Standard methods used to control the type 1 error rate are likely to be insensitive when comparisons are carried out across the whole connectome, due to the huge number of statistical tests involved. To address this problem, two new cluster based methods--the cluster size statistic (CSS) and cluster mass statistic (CMS)--are introduced to control the family wise error rate across all connectivity values. These methods operate within a statistical framework similar to the cluster based methods used in conventional task based fMRI. Both methods are data driven, permutation based and require minimal statistical assumptions. Here, the performance of each procedure is evaluated in a receiver operator characteristic (ROC) analysis, utilising a simulated dataset. The relative sensitivity of each method is also tested on real data: BOLD (blood oxygen level dependent) fMRI scans were carried out on twelve subjects under normal conditions and during the hypercapnic state (induced through the inhalation of 6% CO2 in 21% O2 and 73%N2). Both CSS and CMS detected significant changes in connectivity between normal and hypercapnic states. A family wise error correction carried out at the individual connection level exhibited no significant changes in connectivity.
Quantum cluster equilibrium model of N-methylformamide–water binary mixtures
Energy Technology Data Exchange (ETDEWEB)
Domaros, Michael von; Kirchner, Barbara, E-mail: kirchner@thch.uni-bonn.de [Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstr. 4, D-53115 Bonn (Germany); Jähnigen, Sascha [Martin-Luther-Universität Halle-Wittenberg, von-Danckelmann-Platz 4, D-06120 Halle (Germany); Friedrich, Joachim [Technische Universität Chemnitz, Straße der Nationen 62, D-09111 Chemnitz (Germany)
2016-02-14
The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.
Efficient scheme of quantum SWAP gate and multi-atom cluster state via cavity QED
Institute of Scientific and Technical Information of China (English)
Jiang Chun-Lei; Fang Mao-Fa; Hu Yao-Hua
2008-01-01
In this paper,we propose a physical scheme to realize quantum SWAP gate by using a large-detuned single-mode cavity field and two identical Rydberg atoms.It is shown that the scheme can also be used to create multi-atom cluster state.During the interaction between atom and cavity,the cavity is only virtually excited and thus the scheme is insensitive to the cavity field states and cavity decay.With the help of our scheme it is very simple to prepare the N-atom cluster state with perfect fidelity and probability.The practical feasibility of this method is also discussed.
Constraints on measurement-based quantum computation in effective cluster states
Klagges, D
2011-01-01
The aim of this work is to study the physical properties of a one-way quantum computer in an effective low-energy cluster state. We calculate the optimal working conditions as a function of the temperature and of the system parameters. The central result of our work is that any effective cluster state implemented in a perturbative framework is fragile against special kinds of external perturbations. Qualitative aspects of our work are important for any implementation of effective low-energy models containing strong multi-site interactions.
Guo, G P; Hao, X J; Tu, T; Zhu, Z C; Guo, Guang-Can; Guo, Guo-Ping; Hao, Xiao-Jie; Tu, Tao; Zhu, Zhi-Cheng
2007-01-01
We propose a scheme to eliminate the effect of non-nearest-neighbor qubits in preparing cluster state with double-dot molecules. As the interaction Hamiltonians between qubits are Ising-model and mutually commute, we can get positive and negative effective interactions between qubits to cancel the effect of non-nearest-neighbor qubits by properly changing the electron charge states of each quantum dot molecule. The total time for the present multi-step cluster state preparation scheme is only doubled for one-dimensional qubit chain and tripled for two-dimensional qubit array comparing with the time of previous protocol leaving out the non-nearest-neighbor interactions.
Coherent resonance of quantum plasmons in the graphene-gold cluster hybrid system.
Zhang, Kaibiao; Zhang, Hong; Li, Chikang
2015-05-14
Noble metal nanoparticles can modify the optical properties of graphene. Here we present a detailed theoretical analysis of the coherent resonance of quantum plasmons in the graphene-gold cluster hybrid system by using time dependent density functional theory (TDDFT). This plasmon coherent effect is mainly attributed to the electromagnetic field coupling between the graphene and the gold cluster. As a result, the optical response of the hybrid system exhibits a remarkably strong, selectable tuning and polarization dependent plasmon resonance enhanced in wide frequency regions. This investigation provides an improved understanding of the plasmon enhancement effect in a graphene-based photoelectric device.
Variability in body size and shape of UK offshore workers: A cluster analysis approach.
Stewart, Arthur; Ledingham, Robert; Williams, Hector
2017-01-01
Male UK offshore workers have enlarged dimensions compared with UK norms and knowledge of specific sizes and shapes typifying their physiques will assist a range of functions related to health and ergonomics. A representative sample of the UK offshore workforce (n = 588) underwent 3D photonic scanning, from which 19 extracted dimensional measures were used in k-means cluster analysis to characterise physique groups. Of the 11 resulting clusters four somatotype groups were expressed: one cluster was muscular and lean, four had greater muscularity than adiposity, three had equal adiposity and muscularity and three had greater adiposity than muscularity. Some clusters appeared constitutionally similar to others, differing only in absolute size. These cluster centroids represent an evidence-base for future designs in apparel and other applications where body size and proportions affect functional performance. They also constitute phenotypic evidence providing insight into the 'offshore culture' which may underpin the enlarged dimensions of offshore workers. Copyright © 2016 Elsevier Ltd. All rights reserved.
Nonperturbative linked-cluster expansions in long-range ordered quantum systems
Ixert, Dominik; Schmidt, Kai Phillip
2016-11-01
We introduce a generic scheme to perform nonperturbative linked cluster expansions in long-range ordered quantum phases. Clusters are considered to be surrounded by an ordered reference state leading to effective edge fields in the exact diagonalization on clusters, which break the associated symmetry of the ordered phase. Two approaches, based either on a self-consistent solution of the order parameter or on minimal sensitivity with respect to the ground-state energy per site, are formulated to find the optimal edge field in each NLCE order. Furthermore, we investigate the scaling behavior of the NLCE data sequences towards the infinite-order limit. We apply our scheme to gapped and gapless ordered phases of XXZ Heisenberg models on various lattices and for spins 1/2 and 1 using several types of cluster expansions ranging from a full-graph decomposition, rectangular clusters, up to more symmetric square clusters. It is found that the inclusion of edge fields allows to regularize nonperturbative linked-cluster expansions in ordered phases yielding convergent data sequences. This includes the long-range spin-ordered ground state of the spin-1/2 and spin-1 Heisenberg model on the square and triangular lattice as well as the trimerized valence bond crystal of the spin-1 Heisenberg model on the kagome lattice.
Seah, M P; Spencer, S J; Havelund, R; Gilmore, I S; Shard, A G
2015-10-07
An analysis is presented of the effect of experimental parameters such as energy, angle and cluster size on the depth resolution in depth profiling organic materials using Ar gas cluster ions. The first results are presented of the incident ion angle dependence of the depth resolution, obtained at the Irganox 1010 to silicon interface, from profiles by X-ray photoelectron spectrometry (XPS). By analysis of all relevant published depth profile data, it is shown that such data, from delta layers in secondary ion mass spectrometry (SIMS), correlate with the XPS data from interfaces if it is assumed that the monolayers of the Irganox 1010 adjacent to the wafer substrate surface have an enhanced sputtering rate. SIMS data confirm this enhancement. These results show that the traditional relation for the depth resolution, FWHM = 2.1Y(1/3) or slightly better, FWHM = P(X)Y(1/3)/n(0.2), where n is the argon gas cluster size, and P(X) is a parameter for each material are valid both at the 45° incidence angle of the argon gas cluster sputtering ions used in most studies and at all angles from 0° to 80°. This implies that, for optimal depth profile resolution, 0° or >75° incidence may be significantly better than the 45° traditionally used, especially for the low energy per atom settings required for the best resolved profiles in organic materials. A detailed analysis, however, shows that the FWHM requires a constant contribution added in quadrature to the above such that there are minimal improvements at 0° or greater than 75°. A critical test at 75° confirms the presence of this constant contribution.
DEFF Research Database (Denmark)
Muhammad, Hanif; Juluri, Raghavendra R.; Chirumamilla, Manohar
2016-01-01
based on cluster beam technique allowing the formation of monocrystalline size-selected silver nanoparticles with a ±5–7% precision of diameter and controllable embedment into poly (methyl methacrylate). It is shown that the soft-landed silver clusters preserve almost spherical shape with a slight......An embedment of metal nanoparticles of well-defined sizes in thin polymer films is of significant interest for a number of practical applications, in particular, for preparing materials with tunable plasmonic properties. In this article, we present a fabrication route for metal–polymer composites...... tendency to flattening upon impact. By controlling the polymer hardness (from viscous to soft state) prior the cluster deposition and annealing conditions after the deposition the degree of immersion of the nanoparticles into polymer can be tuned, thus, making it possible to create composites with either...
Size-restricted proton transfer within toluene-methanol cluster ions.
Chiang, Chi-Tung; Shores, Kevin S; Freindorf, Marek; Furlani, Thomas; DeLeon, Robert L; Garvey, James F
2008-11-20
To understand the interaction between toluene and methanol, the chemical reactivity of [(C6H5CH3)(CH3OH) n=1-7](+) cluster ions has been investigated via tandem quadrupole mass spectrometry and through calculations. Collision Induced Dissociation (CID) experiments show that the dissociated intracluster proton transfer reaction from the toluene cation to methanol clusters, forming protonated methanol clusters, only occurs for n = 2-4. For n = 5-7, CID spectra reveal that these larger clusters have to sequentially lose methanol monomers until they reach n = 4 to initiate the deprotonation of the toluene cation. Metastable decay data indicate that for n = 3 and n = 4 (CH3OH)3H(+) is the preferred fragment ion. The calculational results reveal that both the gross proton affinity of the methanol subcluster and the structure of the cluster itself play an important role in driving this proton transfer reaction. When n = 3, the cooperative effect of the methanols in the subcluster provides the most important contribution to allow the intracluster proton transfer reaction to occur with little or no energy barrier. As n >or= 4, the methanol subcluster is able to form ring structures to stabilize the cluster structures so that direct proton transfer is not a favored process. The preferred reaction product, the (CH3OH)3H(+) cluster ion, indicates that this size-restricted reaction is driven by both the proton affinity and the enhanced stability of the resulting product.
Cluster algebras and category O for representations of Borel subalgebras of quantum affine algebras
Hernandez, David
2016-01-01
Let $\\mathcal{O}$ be the category of representations of the Borel subalgebra of a quantum affine algebra introduced by Jimbo and the first author. We show that the Grothendieck ring of a certain monoidal subcategory of $\\mathcal{O}$ has the structure of a cluster algebra of infinite rank, with an initial seed consisting of prefundamental representations. In particular, the celebrated Baxter relations for the 6-vertex model get interpreted as Fomin-Zelevinsky mutation relations.
Foerster, A.; Leymann, H. A. M.; Wiersig, J.
2017-03-01
We introduce an equation of motion approach that allows for an approximate evaluation of the time evolution of a quantum system, where the algebraic work to derive the equations of motion is done by the computer. The introduced procedures offer a variety of different types of approximations applicable for finite systems with strong coupling as well as for arbitrary large systems where augmented mean-field theories like the cluster expansion can be applied.
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters
DEFF Research Database (Denmark)
Li, Lin; Larsen, Ask Hjorth; Romero, Nichols A.
2012-01-01
In this paper, we use density functional theory (DFT) calculations on highly parallel computing resources to study size-dependent changes in the chemical and electronic properties of platinum (Pt) for a number of fixed freestanding clusters ranging from 13 to 1415 atoms, or 0.7–3.5 nm in diameter...
Standardized Effect Size Measures for Mediation Analysis in Cluster-Randomized Trials
Stapleton, Laura M.; Pituch, Keenan A.; Dion, Eric
2015-01-01
This article presents 3 standardized effect size measures to use when sharing results of an analysis of mediation of treatment effects for cluster-randomized trials. The authors discuss 3 examples of mediation analysis (upper-level mediation, cross-level mediation, and cross-level mediation with a contextual effect) with demonstration of the…
Preliminary Cluster Size and Efficiencies results of CMS RPC at GIF++
Gonzalez Blanco Gonzalez, Genoveva
2016-01-01
A brief description and first preliminary results of the Efficiencies and Cluster Size measurements of the CMS Resistive Plate Chambers, will be presented inside the Gamma Irradiation Facility GIF++ at CERN. Preliminary studies that sets the base performance measurements of CMS RPC for starting aging studies.
Wu, Jianlan; Tang, Zhoufei; Gong, Zhihao; Cao, Jianshu; Mukamel, Shaul
2015-04-02
The energy absorbed in a light-harvesting protein complex is often transferred collectively through aggregated chromophore clusters. For population evolution of chromophores, the time-integrated effective rate matrix allows us to construct quantum kinetic clusters quantitatively and determine the reduced cluster-cluster transfer rates systematically, thus defining a minimal model of energy-transfer kinetics. For Fenna-Matthews-Olson (FMO) and light-havrvesting complex II (LCHII) monomers, quantum Markovian kinetics of clusters can accurately reproduce the overall energy-transfer process in the long-time scale. The dominant energy-transfer pathways are identified in the picture of aggregated clusters. The chromophores distributed extensively in various clusters can assist a fast and long-range energy transfer.
Universal order parameters and quantum phase transitions: a finite-size approach.
Shi, Qian-Qian; Zhou, Huan-Qiang; Batchelor, Murray T
2015-01-08
We propose a method to construct universal order parameters for quantum phase transitions in many-body lattice systems. The method exploits the H-orthogonality of a few near-degenerate lowest states of the Hamiltonian describing a given finite-size system, which makes it possible to perform finite-size scaling and take full advantage of currently available numerical algorithms. An explicit connection is established between the fidelity per site between two H-orthogonal states and the energy gap between the ground state and low-lying excited states in the finite-size system. The physical information encoded in this gap arising from finite-size fluctuations clarifies the origin of the universal order parameter. We demonstrate the procedure for the one-dimensional quantum formulation of the q-state Potts model, for q = 2, 3, 4 and 5, as prototypical examples, using finite-size data obtained from the density matrix renormalization group algorithm.
Xu, Hu; Hou, Yumei; Zhang, Hua
2017-06-01
A facile one-pot noninjection synthesis of CdTe magic-sized clusters (MSCs) and their use as building blocks for assembling two-dimensional (2D) quantum confined nanoplatelets (NPLs) are reported. Four distinct MSC families, with the first exciton absorption peaks at 447 nm (F447), 485 nm (F485), 535 nm (F535), and 555 nm (F555), are synthesized by the reaction between cadmium oleate and trioctylphosphine tellurium (TOP-Te) in octadecene media containing primary amine and TOP at appropriate intermediate temperatures. Especially, F447 is obtained in pure form and can self-assemble in situ into 2D NPLs in the reaction solution. The formation, growth, and transformation of CdTe MSCs are monitored mainly by UV-Vis absorption spectroscopy. The pure F447 and its assembled 2D NPLs are further characterized using transmission electron microscopy. The influence of various experimental variables, including reaction temperature, the nature, and amount of capping ligands, on the stability and growth kinetics of the obtained MSC families has been systematically investigated. Experimental results indicate that the appropriate reaction temperature and the presence of long hydrocarbon chain primary amines play a crucial role in the formation of MSCs and the subsequent assembly into 2D NPLs. Primary amines can also promote ultra-small sized CdTe regular nanocrystals to transform into MSCs, and therefore, CdTe MSCs can be obtained indirectly from regularly sized nanocrystals. [Figure not available: see fulltext.
Effects of manganese doping on the structure evolution of small-sized boron clusters
Zhao, Lingquan; Qu, Xin; Wang, Yanchao; Lv, Jian; Zhang, Lijun; Hu, Ziyu; Gu, Guangrui; Ma, Yanming
2017-07-01
Atomic doping of clusters is known as an effective approach to stabilize or modify the structures and properties of resulting doped clusters. We herein report the effect of manganese (Mn) doping on the structure evolution of small-sized boron (B) clusters. The global minimum structures of both neutral and charged Mn doped B cluster \\text{MnB}nQ (n = 10-20 and Q = 0, ±1) have been proposed through extensive first-principles swarm-intelligence based structure searches. It is found that Mn doping has significantly modified the grow behaviors of B clusters, leading to two novel structural transitions from planar to tubular and then to cage-like B structures in both neutral and charged species. Half-sandwich-type structures are most favorable for small \\text{MnB}n-/0/+ (n ⩽ 13) clusters and gradually transform to Mn-centered double-ring tubular structures at \\text{MnB}16-/0/+ clusters with superior thermodynamic stabilities compared with their neighbors. Most strikingly, endohedral cages become the ground-state structures for larger \\text{MnB}n-/0/+ (n ⩾ 19) clusters, among which \\text{MnB}20+ adopts a highly symmetric structure with superior thermodynamic stability and a large HOMO-LUMO gap of 4.53 eV. The unique stability of the endohedral \\text{MnB}\\text{20}+ cage is attributed to the geometric fit and formation of 18-electron closed-shell configuration. The results significantly advance our understanding about the structure and bonding of B-based clusters and strongly suggest transition-metal doping as a viable route to synthesize intriguing B-based nanomaterials.
Stability and minimum size of colloidal clusters on a liquid-air interface.
Pergamenshchik, V M
2012-02-01
A vertical force applied to each of two colloids, trapped at a liquid-air interface, induces their logarithmic pairwise attraction. I recently showed [Phys. Rev. E 79, 011407 (2009)] that in clusters of size R much larger than the capillary length λ, the attraction changes to that of a power law and is much stronger due to a many-body effect, and I derived two equations that describe the equilibrium coarse-grained meniscus profile and colloid density in such clusters. In this paper, this theory is shown also to describe small clusters with R≪ λ provided the number N of colloids therein is sufficiently large. An analytical solution for a small circular cluster with an arbitrary short-range power-law pairwise repulsion is found. The energy of a cluster is obtained as a function of its radius R and colloid number N. As in large clusters, the attraction force and energy universally scale with the distance L between colloids as L(-3) and L(-2), respectively, for any repulsion forces. The states of an equilibrium cluster, predicted by the theory, are shown to be stable with respect to small perturbations of the meniscus profile and colloid density. The minimum number of colloids in a circular cluster, which sustains the thermal motion, is estimated. For standard parameters, it can be very modest, e.g., in the range 20-200, which is in line with experimental findings on reversible clusterization on a liquid-air interface. © 2012 American Physical Society
Dynamic Dipole-Dipole Interactions between Excitons in Quantum Dots of Different Sizes
DEFF Research Database (Denmark)
Matsueda, Hideaki; Leosson, Kristjan; Xu, Zhangcheng
2005-01-01
Micro-photoluminescence spectra of GaAs/AlGaAs coupled quantum dots (QDs) are given, and proposed to be analyzed by our resonance dynamic dipole-dipole interaction (RDDDI) model, based on parity inheritance and exchange of virtual photons among QDs of different sizes.......Micro-photoluminescence spectra of GaAs/AlGaAs coupled quantum dots (QDs) are given, and proposed to be analyzed by our resonance dynamic dipole-dipole interaction (RDDDI) model, based on parity inheritance and exchange of virtual photons among QDs of different sizes....
Dynamic Dipole-Dipole Interactions between Excitons in Quantum Dots of Different Sizes
DEFF Research Database (Denmark)
Matsueda, Hideaki; Leosson, Kristjan; Xu, Zhangcheng;
2005-01-01
Micro-photoluminescence spectra of GaAs/AlGaAs coupled quantum dots (QDs) are given, and proposed to be analyzed by our resonance dynamic dipole-dipole interaction (RDDDI) model, based on parity inheritance and exchange of virtual photons among QDs of different sizes.......Micro-photoluminescence spectra of GaAs/AlGaAs coupled quantum dots (QDs) are given, and proposed to be analyzed by our resonance dynamic dipole-dipole interaction (RDDDI) model, based on parity inheritance and exchange of virtual photons among QDs of different sizes....
The effect of defect cluster size and interpolation on radiographic image quality
Töpfer, Karin; Yip, Kwok L.
2011-03-01
For digital X-ray detectors, the need to control factory yield and cost invariably leads to the presence of some defective pixels. Recently, a standard procedure was developed to identify such pixels for industrial applications. However, no quality standards exist in medical or industrial imaging regarding the maximum allowable number and size of detector defects. While the answer may be application specific, the minimum requirement for any defect specification is that the diagnostic quality of the images be maintained. A more stringent criterion is to keep any changes in the images due to defects below the visual threshold. Two highly sensitive image simulation and evaluation methods were employed to specify the fraction of allowable defects as a function of defect cluster size in general radiography. First, the most critical situation of the defect being located in the center of the disease feature was explored using image simulation tools and a previously verified human observer model, incorporating a channelized Hotelling observer. Detectability index d' was obtained as a function of defect cluster size for three different disease features on clinical lung and extremity backgrounds. Second, four concentrations of defects of four different sizes were added to clinical images with subtle disease features and then interpolated. Twenty observers evaluated the images against the original on a single display using a 2-AFC method, which was highly sensitive to small changes in image detail. Based on a 50% just-noticeable difference, the fraction of allowed defects was specified vs. cluster size.
Leskovec, Jure; Dasgupta, Anirban; Mahoney, Michael W
2008-01-01
A large body of work has been devoted to defining and identifying clusters or communities in social and information networks. We explore from a novel perspective several questions related to identifying meaningful communities in large social and information networks, and we come to several striking conclusions. We employ approximation algorithms for the graph partitioning problem to characterize as a function of size the statistical and structural properties of partitions of graphs that could plausibly be interpreted as communities. In particular, we define the network community profile plot, which characterizes the "best" possible community--according to the conductance measure--over a wide range of size scales. We study over 100 large real-world social and information networks. Our results suggest a significantly more refined picture of community structure in large networks than has been appreciated previously. In particular, we observe tight communities that are barely connected to the rest of the network ...
High sintering resistance of size-selected platinum cluster catalysts by suppressed ostwald ripening
DEFF Research Database (Denmark)
Wettergren, Kristina; Schweinberger, Florian F.; Deiana, Davide;
2014-01-01
Employing rationally designed model systems with precise atom-by-atom particle size control, we demonstrate by means of combining noninvasive in situ indirect nanoplasmonic sensing and ex situ scanning transmission electron microscopy that monomodal size-selected platinum cluster catalysts...... on different supports exhibit remarkable intrinsic sintering resistance even under reaction conditions. The observed stability is related to suppression of Ostwald ripening by elimination of its main driving force via size-selection. This study thus constitutes a general blueprint for the rational design...
Energy Technology Data Exchange (ETDEWEB)
Nord, R.S.; Hoffman, D.K.; Evans, J.W.
1985-06-01
We consider processes where the sites of an infinite, uniform lattice are filled irreversibly and cooperatively, with the rate of adsorption at a site depending on the state of its nearest neighbors (only). The asymmetry between empty and filled sites, associated with irreversibility, leads one to consider the closed infinite coupled hierarchies of rate equations for probabilities of connected and singly, doubly, etc., disconnected empty subconfigurations and results in an empty-site-shielding property. The latter allows exact solutions, via truncation, of these equations in one dimension and is used here to determine probabilities of filled s-tuples, f/sub s/ (f/sub 1/equivalenttheta is the coverage), and thus of clusters of exactly s filled sites, n/sub s/equivalentf/sub s/-2f/sub s+1/+f/sub s+2/ for s< or =13 and 11, respectively. When all rates are nonzero so that clusters can coalesce, the f/sub s/ and n/sub s/ distributions decay exponentially as s..-->..infinity, and we can accurately estimate the asymptotic decay rate lambda(theta)equivalent lim/sub s/..-->..infinity f/sub s+1//f/sub s/equivalent lim/sub s/..-->..infinity n/sub s+1//n/sub s/, where 0 = lambda(0)< or =lambda(theta)< or =lambda(1) = 1. Divergent behavior of the average cluster size, as theta..-->..1, is also considered.
Energy Technology Data Exchange (ETDEWEB)
Thaemer, Martin Georg
2012-03-08
The spectroscopic investigation of supported size selected metal clusters over a wide wavelength range plays an important role for understanding their outstanding catalytic properties. The challenge which must be overcome to perform such measurements is the difficult detection of the weak spectroscopic signals from these samples. As a consequence, highly sensitive spectroscopic methods are applied, such as surface Cavity Ringdown Spectroscopy and surface Second Harmonic Generation Spectroscopy. The spectroscopic apparatus developed is shown to have a sensitivity which is high enough to detect sub-monolayer coverages of adsorbates on surfaces. In the measured spectra of small supported silver clusters of the sizes Ag{sub 4}2, Ag{sub 2}1, Ag{sub 9}, and Ag atoms a stepwise transition from particles with purely metallic character to particles with molecule-like properties can be observed within this size range.
Using Dynamic Quantum Clustering to Analyze Hierarchically Heterogeneous Samples on the Nanoscale
Energy Technology Data Exchange (ETDEWEB)
Hume, Allison; /Princeton U. /SLAC
2012-09-07
Dynamic Quantum Clustering (DQC) is an unsupervised, high visual data mining technique. DQC was tested as an analysis method for X-ray Absorption Near Edge Structure (XANES) data from the Transmission X-ray Microscopy (TXM) group. The TXM group images hierarchically heterogeneous materials with nanoscale resolution and large field of view. XANES data consists of energy spectra for each pixel of an image. It was determined that DQC successfully identifies structure in data of this type without prior knowledge of the components in the sample. Clusters and sub-clusters clearly reflected features of the spectra that identified chemical component, chemical environment, and density in the image. DQC can also be used in conjunction with the established data analysis technique, which does require knowledge of components present.
Ohanyan, Vadim; Rojas, Onofre; Strečka, Jozef; Bellucci, Stefano
2015-12-01
We examine the general features of the noncommutativity of the magnetization operator and Hamiltonian for small quantum spin clusters. The source of this noncommutativity can be a difference in the Landé g factors for different spins in the cluster, X Y anisotropy in the exchange interaction, and the presence of the Dzyaloshinskii-Moriya term in a direction different from the direction of the magnetic field. As a result, zero-temperature magnetization curves for small spin clusters mimic those for the macroscopic systems with the band(s) of magnetic excitations, i.e., for the given eigenstate of the spin cluster the corresponding magnetic moment can be an explicit function of the external magnetic field yielding the nonconstant (nonplateau) form of the magnetization curve within the given eigenstate. In addition, the X Y anisotropy makes the saturated magnetization (the eigenstate when all spins in cluster are aligned along the magnetic field) inaccessible for finite magnetic field magnitude (asymptotical saturation). We demonstrate all these features on three examples: a spin-1/2 dimer, mixed spin-(1/2,1) dimer, and a spin-1/2 ring trimer. We consider also the simplest Ising-Heisenberg chain, the Ising-X Y Z diamond chain, with four different g factors. In the chain model the magnetization curve has a more complicated and nontrivial structure than that for clusters.
Structural and quantum properties of van der Waals cluster near the unitary regime
Lekala, M. L.; Chakrabarti, B.; Haldar, S. K.; Roy, R.; Rampho, G. J.
2017-07-01
We study the structural and several quantum properties of three-dimensional bosonic cluster interacting through van der Waals potential at large scattering length. We use Faddeev-type decomposition of the many-body wave function which includes all possible two-body correlations. At large scattering length, we observe spatially extended states which exhibit the exponential dependence on the state number. The cluster ground state energy shows universal nature at large negative scattering length. We also find the existence of generalized Tjon lines for N-body clusters. Signature of universal behaviour of weakly bound clusters can be observed in experiments of ultracold Bose gases. We also study the spectral statistics of the system. We calculate both the short-range fluctuation and long-range correlation and observe semi-Poisson distribution which interpolates the Gaussian Orthogonal Ensemble (GOE) and Poisson statistics of random matrix theory. It indicates that the van der Waal cluster near the unitary becomes highly complex and correlated. However additional study of P (r) distribution (without unfolding of energy spectrum) reveals the possibility of chaos for larger cluster.
Sifting attacks in finite-size quantum key distribution
Pfister, Corsin; Lütkenhaus, Norbert; Wehner, Stephanie; Coles, Patrick J.
2016-05-01
A central assumption in quantum key distribution (QKD) is that Eve has no knowledge about which rounds will be used for parameter estimation or key distillation. Here we show that this assumption is violated for iterative sifting, a sifting procedure that has been employed in some (but not all) of the recently suggested QKD protocols in order to increase their efficiency. We show that iterative sifting leads to two security issues: (1) some rounds are more likely to be key rounds than others, (2) the public communication of past measurement choices changes this bias round by round. We analyze these two previously unnoticed problems, present eavesdropping strategies that exploit them, and find that the two problems are independent. We discuss some sifting protocols in the literature that are immune to these problems. While some of these would be inefficient replacements for iterative sifting, we find that the sifting subroutine of an asymptotically secure protocol suggested by Lo et al (2005 J. Cryptol. 18 133-65), which we call LCA sifting, has an efficiency on par with that of iterative sifting. One of our main results is to show that LCA sifting can be adapted to achieve secure sifting in the finite-key regime. More precisely, we combine LCA sifting with a certain parameter estimation protocol, and we prove the finite-key security of this combination. Hence we propose that LCA sifting should replace iterative sifting in future QKD implementations. More generally, we present two formal criteria for a sifting protocol that guarantee its finite-key security. Our criteria may guide the design of future protocols and inspire a more rigorous QKD analysis, which has neglected sifting-related attacks so far.
Peng, D. L.; Sumiyama, Kenji; Hihara, Takehiko; Yamamuro, S.; ヒハラ, タケヒコ; スミヤマ, ケンジ; 日原, 岳彦; 隅山, 兼治; Hihara, T.; Sumiyama, K.
1999-01-01
Magnetic properties have been measured for monodisperse-sized Co/CoO cluster assemblies prepared by a plasma-gas-condensation-type cluster beam deposition technique. The clear correlation obtained between exchange bias field and coercivity suggests the enhancement of uniaxial anisotropy owing to the exchange coupling between the ferromagnetic Co core and antiferromagnetic CoO shell, and magnetic disorder at the core-shell interface. A nonthermal magnetic relaxation observed below 8 K, being r...
Hatfull, Graham F.; Jacobs-Sera, Deborah; Lawrence, Jeffrey G.; Pope, Welkin H.; Russell, Daniel A.; Ko, Ching-Chung; Weber, Rebecca J.; Patel, Manisha C.; Germane, Katherine L.; Edgar, Robert H.; Hoyte, Natasha N.; Bowman, Charles A.; Tantoco, Anthony T.; Paladin, Elizabeth C.; Myers, Marlana S.; Smith, Alexis L.; Grace, Molly S.; Pham, Thuy T.; O'Brien, Matthew B.; Vogelsberger, Amy M.; Hryckowian, Andrew J.; Wynalek, Jessica L.; Donis-Keller, Helen; Bogel, Matt W.; Peebles, Craig L.; Cresawn, Steve G.; Hendrix, Roger W.
2010-01-01
Mycobacteriophages are viruses that infect mycobacterial hosts. Expansion of a collection of sequenced phage genomes to a total of sixty – all infecting a common bacterial host – provides further insight into their diversity and evolution. Of the sixty phage genomes, 55 can be grouped into nine clusters according to their nucleotide sequence similarities, five of which can be further divided into subclusters; five genomes do not cluster with other phages. The sequence diversity between genomes within a cluster varies greatly; for example, the six genomes in cluster D share more than 97.5% average nucleotide similarity with each other. In contrast, similarity between the two genomes in Cluster I is barely detectable by diagonal plot analysis. The total of 6,858 predicted ORFs have been grouped into 1523 phamilies (phams) of related sequences, 46% of which possess only a single member. Only 18.8% of the phams have sequence similarity to non-mycobacteriophage database entries and fewer than 10% of all phams can be assigned functions based on database searching or synteny. Genome clustering facilitates the identification of genes that are in greatest genetic flux and are more likely to have been exchanged horizontally in relatively recent evolutionary time. Although mycobacteriophage genes exhibit smaller average size than genes of their host (205 residues compared to 315), phage genes in higher flux average only ∼100 amino acids, suggesting that the primary units of genetic exchange correspond to single protein domains. PMID:20064525
Structure and Energetics of Nanometer Size Clusters of Sulfuric Acid with Ammonia and Dimethylamine
Energy Technology Data Exchange (ETDEWEB)
Depalma, Joseph W.; Bzdek, Bryan R.; Doren, Doug J.; Johnston, Murray V.
2012-01-26
The structures of positively and negatively charged clusters of sulfuric acid with ammonia and/or dimethylamine ((CH{sub 3}){sub 2}NH or DMA) are investigated using a combination of Monte Carlo configuration sampling, semiempirical calculations, and density functional theory (DFT) calculations. Positively charged clusters of the formula [(NH{sub 4}{sup +}){sub x}(HSO{sub 4}{sup -}){sub y}]{sup +}, where x = y + 1, are studied for 1 {le} y {le} 10. These clusters exhibit strong cation-anion interactions, with no contribution to the hydrogen-bonding network from the bisulfate ion protons. A similar hydrogen-bonding network is found for the [(DMAH{sup +}){sub 5}(HSO{sub 4}{sup -}){sub 4}]{sup -} cluster. Negatively charged clusters derived from the reaction of DMA with [(H{sub 2}SO{sub 4}){sub 3}(NH{sub 4}{sup +})(HSO{sub 4}{sup -}){sub 2}]{sup -} are also studied, up to the fully reacted cluster [(DMAH{sup +}){sub 4}(HSO{sub 4}{sup -}){sub 5}]{sup -}. These clusters exhibit anion-anion and ion-molecule interactions in addition to cation-anion interactions. While the hydrogen-bonding network is extensive for both positively and negatively charged clusters, the binding energies of ions and molecules in these clusters are determined mostly by electrostatic interactions. The thermodynamics of amine substitution is explored and compared to experimental thermodynamic and kinetic data. Ammonia binds more strongly than DMA to sulfuric acid due to its greater participation in hydrogen bonding and its ability to form a more compact structure that increases electrostatic attraction between oppositely charged ions. However, the greater gas-phase basicity of DMA is sufficient to overcome the stronger binding of ammonia, making substitution of DMA for ammonia thermodynamically favorable. For small clusters of both polarities, substitutions of surface ammonium ions are facile. As the cluster size increases, an ammonium ion becomes encapsulated in the center of the cluster, making
Size Distribution of Star Clusters and Stellar Groups in IC2574
Pellerin, Anne; Meyer, Martin J.; Calzetti, Daniela
2017-01-01
We present an HST/ACS archival study of compact and dispersed star clusters and stellar groups found in the nearby galaxy IC 2574. In this work, we identified and characterized the properties of clusters with spatially unresolved stars. We combined these properties with those found in a companion work on the dispersed stellar groups in IC 2574 with spatially resolved stars. We find that the size distribution of all young stellar groups, sparse and compact together, is consistent with the hierarchical model of star formation.
Ion-Size-Dependent Formation of Mixed Titanium/Lanthanide Oxo Clusters
Artner, Christine; Kronister, Stefan; Czakler, Matthias; Schubert, Ulrich
2014-01-01
The mixed-metal oxo clusters LnTi4O3(OiPr)2(OMc)11 (Ln = La, Ce; OMc = methacrylate), Ln2Ti6O6(OMc)18(HOiPr) (Ln = La, Ce, Nd, Sm) and Ln2Ti4O4(OMc)14(HOMc)2 (Ln = Sm, Eu, Gd, Ho) have been synthesized from titanium isopropoxide, the corresponding lanthanide acetate and methacrylic acid. The type of cluster obtained strongly depends on the size of the lanthanide ion. PMID:25866471
Synthesis and characterization of small size fluorescent LEEH caped blue emission ZnTe quantum dots
Directory of Open Access Journals (Sweden)
Patnaik Sumanta Kumar
2017-04-01
Full Text Available We report here for the first time the synthesis of LEEH caped very small size (2 nm ZnTe quantum dots at low temperature (less than 100 °C using a simple chemical route. The effects of aging and stirring time on the absorption spectra of the quantum dots were investigated. The synthesized nanocrystal (NC was characterized by PL, TEM, XRD and the formation of very small size quantum dots having FCC structure was confirmed. Further, blue emission from the prepared sample was observed during exposure to monochromatic UV radiation. ZnTe NCs obtained in this study were found to be more stable compared to those presented in literature reports. ZnTe NCs may be considered as a new material in place of CdTe for optoelectronics devices.
Stability of cluster glass state in nano order sized YbFe2O4 powders
Kobayashi, H.; Fujiwara, K.; Kobayashi, N.; Ogawa, T.; Sakai, M.; Tsujimoto, M.; Seri, O.; Mori, S.; Ikeda, N.
2017-04-01
Slow magnetic relaxation and the Fe ion stoichiometry were investigated in spin and charge frustrated system YbFe2O4. DC susceptibility, AC susceptibility, aging process and electron diffraction observation were carried out on nano order sized YbFe2O4 single-phase powders with the Fe/Yb=2.00, 2.02, and 2.04 ratios. The variation of the cluster glass behavior was studied in relation between the magnetic relaxation and the various chemical compositions. With the increase of the Fe/Yb ratios, the magnetic coherence length increased and the magnetic aging time goes slow down. The observed critical slowing down of the glassy fluctuation is interpreted by the development of the spin cluster size. This indicates that the spin glass like property of this material arises from the competition between various sized magnetic domains having ferrimagnetic moments. Additionally, electron diffraction experiments showed that the increase of Fe/Yb ratios from Fe/Yb=2.00 enhances the development of the charge ordering coherence in triangular lattice. This study shows that the measurement of magnetic fluctuation for nano order sized particles gives the essential information about the spin cluster fluctuation in RFe2O4.
NP has log-space verifiers with fixed-size public quantum registers
Yakaryilmaz, Abuzer
2011-01-01
In classical Arthur-Merlin games (AM), the class of languages whose membership proofs can be verified by Arthur using logarithmic space coincides with the class P \\cite{Co89}. In this note, we show that if Arthur has a fixed-size quantum register (the size of the register does not depend on the length of the input) instead of another source of random bits, membership in any language in NP can be verified with any desired error bound.
DEFF Research Database (Denmark)
Johansen, Jeppe; Stobbe, Søren; Nikolaev, Ivan S.;
2008-01-01
and a theoretical model, we determine the striking dependence of the overlap of the electron and hole wavefunctions on the quantum dot size. We conclude that the optical quality is best for large quantum dots, which is important in order to optimally tailor quantum dot emitters for, e.g., quantum electrodynamics......The radiative and nonradiative decay rates of InAs quantum dots are measured by controlling the local density of optical states near an interface. From time-resolved measurements, we extract the oscillator strength and the quantum efficiency and their dependence on emission energy. From our results...
Dynamic dipole-dipole interactions between excitons in quantum dots of different sizes
DEFF Research Database (Denmark)
Matsueda, Hideaki; Leosson, Kristjan; Xu, Zhangcheng;
2004-01-01
A model of the resonance dynamic dipole-dipole interaction between excitons confined in quantum dots (QDs) of different sizes at close enough distance is given in terms of parity inheritance and exchange of virtual photons. Microphotoluminescence spectra of GaAs-AlGaAs coupled QDs are proposed to...
Energy Technology Data Exchange (ETDEWEB)
Anas, M. M.; Othman, A. P.; Gopir, G. [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600, Bangi, Selangor (Malaysia)
2014-09-03
Density functional theory (DFT), as a first-principle approach has successfully been implemented to study nanoscale material. Here, DFT by numerical basis-set was used to study the quantum confinement effect as well as electronic properties of silicon quantum dots (Si-QDs) in ground state condition. Selection of quantum dot models were studied intensively before choosing the right structure for simulation. Next, the computational result were used to examine and deduce the electronic properties and its density of state (DOS) for 14 spherical Si-QDs ranging in size up to ∼ 2 nm in diameter. The energy gap was also deduced from the HOMO-LUMO results. The atomistic model of each silicon QDs was constructed by repeating its crystal unit cell of face-centered cubic (FCC) structure, and reconstructed until the spherical shape obtained. The core structure shows tetrahedral (T{sub d}) symmetry structure. It was found that the model need to be passivated, and hence it was noticed that the confinement effect was more pronounced. The model was optimized using Quasi-Newton method for each size of Si-QDs to get relaxed structure before it was simulated. In this model the exchange-correlation potential (V{sub xc}) of the electrons was treated by Local Density Approximation (LDA) functional and Perdew-Zunger (PZ) functional.
Understanding boron through size-selected clusters: structure, chemical bonding, and fluxionality.
Sergeeva, Alina P; Popov, Ivan A; Piazza, Zachary A; Li, Wei-Li; Romanescu, Constantin; Wang, Lai-Sheng; Boldyrev, Alexander I
2014-04-15
believed that the electronic transmutation concept will be effective and valuable in aiding the design of new boride materials with predictable properties. The study of boron clusters with intermediate properties between those of individual atoms and bulk solids has given rise to a unique opportunity to broaden the frontier of boron chemistry. Understanding boron clusters has spurred experimentalists and theoreticians to find new boron-based nanomaterials, such as boron fullerenes, nanotubes, two-dimensional boron, and new compounds containing boron clusters as building blocks. Here, a brief and timely overview is presented addressing the recent progress made on boron clusters and the approaches used in the authors' laboratories to determine the structure, stability, and chemical bonding of size-selected boron clusters by joint photoelectron spectroscopy and theoretical studies. Specifically, key findings on all-boron hydrocarbon analogues, metal-centered boron wheels, and electronic transmutation in boron clusters are summarized.
Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality
Energy Technology Data Exchange (ETDEWEB)
Sergeeva, Alina P.; Popov, Ivan A.; Piazza, Zachary A.; Li, Wei-Li; Romanescu, Constantin; Wang, Lai S.; Boldyrev, Alexander I.
2014-04-15
/C analogy. It is believed that the electronic transmutation concept will be effective and valuable in aiding the design of new boride materials with predictable properties. The study of boron clusters with intermediate properties between those of individual atoms and bulk solids has given rise to a unique opportunity to broaden the frontier of boron chemistry. Understanding boron clusters has spurred experimentalists and theoreticians to find new boron-based nanomaterials, such as boron fullerenes, nanotubes, two-dimensional boron, and new compounds containing boron clusters as building blocks. Here, a brief and timely overview is presented addressing the recent progress made on boron clusters and the approaches used in the authors’ laboratories to determine the structure, stability, and chemical bonding of size-selected boron clusters by joint photoelectron spectroscopy and theoretical studies. Specifically, key findings on all-boron hydrocarbon analogues, metal-centered boron wheels, and electronic transmutation in boron clusters are summarized.
Fluschnik, Till; Ros, Anselmo García Cantú; Zhou, Bin; Reusser, Dominik E; Kropp, Jürgen P; Rybski, Diego
2014-01-01
Human development has far-reaching impacts on the surface of the globe. The transformation of natural land cover occurs in different forms and urban growth is one of the most eminent transformative processes. We analyze global land cover data and extract cities as defined by maximally connected urban clusters. The analysis of the city size distribution for all cities on the globe confirms Zipf's law. Moreover, by investigating the percolation properties of the clustering of urban areas we assess the closeness to criticality for various countries. At the critical thresholds, the urban land cover of the countries undergoes a transition from separated clusters to a gigantic component on the country scale. We study the Zipf-exponents as a function of the closeness to percolation and find a systematic decrease with increasing scale, which could be the reason for deviating exponents reported in literature. Moreover, we investigate the average size of the clusters as a function of the proximity to percolation and fi...
Optimal receptor-cluster size determined by intrinsic and extrinsic noise
Aquino, Gerardo; Tollis, Sylvain; Endres, Robert G
2011-01-01
Biological cells sense external chemical stimuli in their environment using cell-surface receptors. To increase the sensitivity of sensing, receptors often cluster, most noticeably in bacterial chemotaxis, a paradigm for signaling and sensing in general. While amplification of weak stimuli is useful in absence of noise, its usefulness is less clear in presence of extrinsic input noise and intrinsic signaling noise. Here, exemplified on bacterial chemotaxis, we combine the allosteric Monod-Wyman- Changeux model for signal amplification by receptor complexes with calculations of noise to study their interconnectedness. Importantly, we calculate the signal-to-noise ratio, describing the balance of beneficial and detrimental effects of clustering for the cell. Interestingly, we find that there is no advantage for the cell to build receptor complexes for noisy input stimuli in absence of intrinsic signaling noise. However, with intrinsic noise, an optimal complex size arises in line with estimates of the sizes of ...
On the graphical analysis of the electronic structure of ferromagnetic clusters of medium size.
Collado, José Ramón Alvarez
2004-12-01
In a previous work, a theoretical approach, suitable to describe systems having a large number of fermions, was proposed, and results for ferromagnetic surface clusters of medium size (100-1000 atoms) were presented. The aim of the present contribution is to complete this previous work. Several significant theoretical and technical details, omitted previously, are provided here. The obtained spin orbitals are analyzed, by studying their symmetry, energy, and d contribution properties.
Size selected clusters and particles: from physical chemistry and chemical physics to catalysis
Energy Technology Data Exchange (ETDEWEB)
van Bokhoven, Jeroen A.; Vajda, Stefan
2014-01-01
When changing the size of metals from single atoms to monodispersed subnanometer clusters to well defined nanoparticles, their properties may change dramatically, as the type and fraction of their atoms gradually shifts from being dominantly under-coordinated to those organized in crystalline facets. Taking into account the one- to three-dimensional particle shapes, structural fluxionality and attachment of particles to a support where interfaces form and changes in electronic properties of the particles may take place, there is a further modification to the intrinsic size- and composition dependent properties in supported particles which add to the complexity of the system.
Theory of the vortex-clustering transition in a confined two-dimensional quantum fluid
Yu, Xiaoquan; Billam, Thomas P.; Nian, Jun; Reeves, Matthew T.; Bradley, Ashton S.
2016-08-01
Clustering of like-sign vortices in a planar bounded domain is known to occur at negative temperature, a phenomenon that Onsager demonstrated to be a consequence of bounded phase space. In a confined superfluid, quantized vortices can support such an ordered phase, provided they evolve as an almost isolated subsystem containing sufficient energy. A detailed theoretical understanding of the statistical mechanics of such states thus requires a microcanonical approach. Here we develop an analytical theory of the vortex clustering transition in a neutral system of quantum vortices confined to a two-dimensional disk geometry, within the microcanonical ensemble. The choice of ensemble is essential for identifying the correct thermodynamic limit of the system, enabling a rigorous description of clustering in the language of critical phenomena. As the system energy increases above a critical value, the system develops global order via the emergence of a macroscopic dipole structure from the homogeneous phase of vortices, spontaneously breaking the Z2 symmetry associated with invariance under vortex circulation exchange, and the rotational SO (2 ) symmetry due to the disk geometry. The dipole structure emerges characterized by the continuous growth of the macroscopic dipole moment which serves as a global order parameter, resembling a continuous phase transition. The critical temperature of the transition, and the critical exponent associated with the dipole moment, are obtained exactly within mean-field theory. The clustering transition is shown to be distinct from the final state reached at high energy, known as supercondensation. The dipole moment develops via two macroscopic vortex clusters and the cluster locations are found analytically, both near the clustering transition and in the supercondensation limit. The microcanonical theory shows excellent agreement with Monte Carlo simulations, and signatures of the transition are apparent even for a modest system of 100
Magic number behavior for heat capacities of medium sized classical Lennard-Jones clusters
Frantz, D D
2001-01-01
Monte Carlo methods were used to calculate heat capacities as functions of temperature for classical atomic clusters of aggregate sizes $25 \\leq N \\leq 60$ that were bound by pairwise Lennard-Jones potentials. The parallel tempering method was used to overcome convergence difficulties due to quasiergodicity in the solid-liquid phase-change regions. All of the clusters studied had pronounced peaks in their heat capacity curves, most of which corresponded to their solid-liquid phase-change regions. The heat capacity peak height and location exhibited two general trends as functions of cluster size: for $N = 25$ to 36, the peak temperature slowly increased, while the peak height slowly decreased, disappearing by $N = 37$; for $N = 30$, a very small secondary peak at very low temperature emerged and quickly increased in size and temperature as $N$ increased, becoming the dominant peak by $N = 36$. Superimposed on these general trends were smaller fluctuations in the peak heights that corresponded to ``magic numbe...
Energy Technology Data Exchange (ETDEWEB)
Evans, J.W.; Nord, R.S.
1985-06-01
We consider processes where the sites of an infinite, uniform, one-dimensional lattice are filled irreversibly and cooperatively, with the rates k/sub i/, depending on the number i = 0,1,2 of filled nearest neighbors. Furthermore, we suppose that filling of sites with both neighbors already filled is forbidden, so k/sub 2/ = 0. Thus, clusters can nucleate and grow, but cannot coalesce. Exact truncation solutions of the corresponding infinite hierarchy of rate equations for subconfiguration probabilities are possible. For the probabilities of filled s-tuples f/sub s/ as a function of coverage, thetaequivalentf/sub 1/, we find that f/sub s//f/sub s+1/ = D(theta)s+C(theta,s), where C(theta,s)/s..-->..0 as s..-->..infinity. This corresponds to faster than exponential decay. Also, if rhoequivalentk/sub 1//k/sub 0/, then one has D(theta)approx.(2rhotheta)/sup -1/ as theta..-->..0. The filled-cluster-size distribution n/sub s/ has the same characteristics. Motivated by the behavior of these families of f/sub s//f/sub s+1/-vs-s curves, we develop the natural extension of f/sub s/ to s< or =0. Explicit values for f/sub s/ and related quantities for ''almost random'' filling, k/sub 0/ = k/sub 1/, are obtained from a direct statistical analysis.
Nord, R. S.; Hoffman, D. K.; Evans, J. W.
1985-06-01
We consider processes where the sites of an infinite, uniform lattice are filled irreversibly and cooperatively, with the rate of adsorption at a site depending on the state of its nearest neighbors (only). The asymmetry between empty and filled sites, associated with irreversibility, leads one to consider the closed infinite coupled hierarchies of rate equations for probabilities of connected and singly, doubly, etc., disconnected empty subconfigurations and results in an empty-site-shielding property. The latter allows exact solutions, via truncation, of these equations in one dimension and is used here to determine probabilities of filled s-tuples, fs (f1≡θ is the coverage), and thus of clusters of exactly s filled sites, ns≡fs-2fs+1+fs+2 for s∞, and we can accurately estimate the asymptotic decay rate λ(θ)≡ lims-->∞ fs+1/fs≡ lims-->∞ ns+1/ns, where 0=λ(0)behavior of the average cluster size, as θ-->1, is also considered. In addition, we develop a novel technique to determine directly the asymptotic decay rate λ(θ) and indicate its extension to higher-dimensional irreversible cooperative filling (and to other dynamic processes on lattices).
Evans, J. W.; Nord, R. S.
1985-06-01
We consider processes where the sites of an infinite, uniform, one-dimensional lattice are filled irreversibly and cooperatively, with the rates ki, depending on the number i=0,1,2 of filled nearest neighbors. Furthermore, we suppose that filling of sites with both neighbors already filled is forbidden, so k2=0. Thus, clusters can nucleate and grow, but cannot coalesce. Exact truncation solutions of the corresponding infinite hierarchy of rate equations for subconfiguration probabilities are possible. For the probabilities of filled s-tuples fs as a function of coverage, θ≡f1, we find that fs/fs+1=D(θ)s+C(θ,s), where C(θ,s)/s-->0 as s-->∞. This corresponds to faster than exponential decay. Also, if ρ≡k1/k0, then one has D(θ)~(2ρθ)-1 as θ-->0. The filled-cluster-size distribution ns has the same characteristics. Motivated by the behavior of these families of fs/fs+1-vs-s curves, we develop the natural extension of fs to s<=0. Explicit values for fs and related quantities for ``almost random'' filling, k0=k1, are obtained from a direct statistical analysis.
Quantum correlated cluster mean-field theory applied to the transverse Ising model.
Zimmer, F M; Schmidt, M; Maziero, Jonas
2016-06-01
Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there has been a surge of interest in ameliorating this kind of method, mainly with the aim of incorporating geometric and correlation properties of these systems. The correlated cluster MFT (CCMFT) is an improvement that succeeded quite well in doing that for classical spin systems. Nevertheless, even the CCMFT presents some deficiencies when applied to quantum systems. In this article, we address this issue by proposing the quantum CCMFT (QCCMFT), which, in contrast to its former approach, uses general quantum states in its self-consistent mean-field equations. We apply the introduced QCCMFT to the transverse Ising model in honeycomb, square, and simple cubic lattices and obtain fairly good results both for the Curie temperature of thermal phase transition and for the critical field of quantum phase transition. Actually, our results match those obtained via exact solutions, series expansions or Monte Carlo simulations.
Zhang, Junyi; Beugnon, Jérôme; Nascimbene, Sylvain
2016-10-01
We describe a protocol to prepare clusters of ultracold bosonic atoms in strongly interacting states reminiscent of fractional quantum Hall states. Our scheme consists in injecting a controlled amount of angular momentum to an atomic gas using Raman transitions carrying orbital angular momentum. By injecting one unit of angular momentum per atom, one realizes a single-vortex state, which is well described by mean-field theory for large enough particle numbers. We also present schemes to realize fractional quantum Hall states, namely, the bosonic Laughlin and Moore-Read states. We investigate the requirements for adiabatic nucleation of such topological states, in particular comparing linear Landau-Zener ramps and arbitrary ramps obtained from optimized control methods. We also show that this protocol requires excellent control over the isotropic character of the trapping potential.
Schatz, George
2008-03-01
This talk will describe the use of electrodynamics and quantum mechanics methods to describe the optical properties of silver and gold nanoparticles and other nanostructures. This work has been done in collaboration with several experimental colleagues, including Chad Mirkin, Rick Van Duyne and Teri Odom. Our recent work has focused on the optical properties of metal nanoparticles that are coated with molecules that are detected either through their influence plasmon resonance excitation, or via surface enhanced Raman spectroscopy (SERS). Electrodynamics calculations using either the DDA or FDTD methods provide a quantitative tool for characterizing far field properties, and at a more primitive level estimates of SERS intensities. Quantum mechanics, as developed using time dependent density functional theory, is restricted to small metal clusters, but the same methods of far field spectroscopy and SERS can still be studied.
Theory of Finite Size Effects for Electronic Quantum Monte Carlo Calculations of Liquids and Solids
Holzmann, Markus; Morales, Miguel A; Tubmann, Norm M; Ceperley, David M; Pierleoni, Carlo
2016-01-01
Concentrating on zero temperature Quantum Monte Carlo calculations of electronic systems, we give a general description of the theory of finite size extrapolations of energies to the thermodynamic limit based on one and two-body correlation functions. We introduce new effective procedures, such as using the potential and wavefunction split-up into long and short range functions to simplify the method and we discuss how to treat backflow wavefunctions. Then we explicitly test the accuracy of our method to correct finite size errors on example hydrogen and helium many-body systems and show that the finite size bias can be drastically reduced for even small systems.
Size dependent photoresponse characteristics of crystalline Ge quantum dots based photodetectors
Bar, Rajshekhar; Manna, Santanu; Ray, Samit K.
2016-10-01
We report on the size dependent photoresponse behaviour of crystalline Ge quantum dots (QDs) dispersed within the silica matrix. Our findings demonstrate an increasing nature of EQE with increase in QDs size, which could be attributed to the combined effect of Coulomb interaction of photogenerated carriers, QD/silica interface defects and electric field driven carrier separation and tunneling through the oxide barriers. In this regard, the bias dependent nonlinear response of the photocurrent has been explained on the basis of cold field emission (CFE) model. Besides, the EQE is extended (>100%) for larger sized QDs, suggesting the trapping of slower holes in Ge QDs creating a charge neutrality issue.
Modeling on the size dependent properties of InP quantum dots: a hybrid functional study
Cho, Eunseog; Jang, Hyosook; Lee, Junho; Jang, Eunjoo
2013-05-01
Theoretical calculations based on density functional theory were performed to provide better understanding of the size dependent electronic properties of InP quantum dots (QDs). Using a hybrid functional approach, we suggest a reliable analytical equation to describe the change of energy band gap as a function of size. Synthesizing colloidal InP QDs with 2-4 nm diameter and measuring their optical properties was also carried out. It was found that the theoretical band gaps showed a linear dependence on the inverse size of QDs and gave energy band gaps almost identical to the experimental values.
Cluster irreducibility of the third and fourth Legendre transforms in quantum field theory
Energy Technology Data Exchange (ETDEWEB)
Cooper, A.; Feldman, J.; Rosen, L.
1982-03-15
Let GAMMA/sup( r/) be the rth Legendre transform of the generating functional of the Euclidean Green's functions of a boson quantum field theory. We formulate and prove the r-cluster-irreducibility properties of GAMMA/sup( r/) for r< or =4. In particular, the rth-order vertex functions GAMMA/sup( r/)/sub n/ are r-irreducible and the rth-order Bethe-Salpeter kernels are r-channel-irreducible. Our definition of irreducibility is independent of perturbation theory, being based on Spencer's idea of t-derivatives.
Entanglement percolation on a quantum internet with scale-free and clustering characters
Energy Technology Data Exchange (ETDEWEB)
Wu Liang; Zhu Shiqun [School of Physical Science and Technology, Soochow University, Suzhou, Jiangsu 215006 (China)
2011-11-15
The applicability of entanglement percolation protocol to real Internet structure is investigated. If the current Internet can be used directly in the quantum regime, the protocol can provide a way to establish long-distance entanglement when the links are pure nonmaximally entangled states. This applicability is primarily due to the combination of scale-free degree distribution and a high level of clustering, both of which are widely observed in many natural and artificial networks including the current Internet. It suggests that the topology of real Internet may play an important role in entanglement establishment.
Quantum Cloning of an Unknown 2-Atom State via Entangled Cluster States
Yu, L.-z.; Zhong, F.
2016-06-01
This paper presented a scheme for cloning a 2-atom state in the QED cavity with the help of Victor who is the state's preparer. The cloning scheme has two steps. In the first step, the scheme requires probabilistic teleportation of a 2-atom state that is unknown in advance, and uses a 4-atom cluster state as quantum channel. In the second step, perfect copies of the 2-atom entangled state may be realized with the assistance of Victor. The finding is that our scheme has two outstanding advantages: it is not sensitive to the cavity decay, and Bell state is easy to identify.
Theory of the vortex-clustering transition in a confined two-dimensional quantum fluid
Yu, Xiaoquan; Nian, Jun; Reeves, Matthew T; Bradley, Ashton S
2016-01-01
Clustering of like-sign vortices in a planar bounded domain is known to occur at negative temperature, a phenomenon that Onsager demonstrated to be a consequence of bounded phase space. In a confined superfluid, quantized vortices can support such an ordered phase, provided they evolve as an almost isolated subsystem containing sufficient energy. A detailed theoretical understanding of the statistical mechanics of such states thus requires a microcanonical approach. Here we develop an analytical theory of the vortex clustering transition in a neutral system of quantum vortices confined to a two-dimensional disk geometry, within the microcanonical ensemble. As the system energy increases above a critical value, the system develops global order via the emergence of a macroscopic dipole structure from the homogeneous phase of vortices, spontaneously breaking the Z2 symmetry associated with invariance under vortex circulation exchange, and the rotational SO(2) symmetry due to the disk geometry. The dipole structu...
Kanaev, A. V.; Castex, M. C.; Museur, L.; von Pietrowski, R.; Möller, T.
1995-10-01
Observations of continuous luminescence bands in the visible and infrared spectral ranges of Xe+N cluster ions ( N = 10-2200) are reported. Based on measured luminescence excitation yields, they are assigned to radiative transitions related to the 2P1/2-->2P3/2 transition of atomic Xe ions. The transition energy of one band at ~1.9 eV shows a very unusual spectral shift which is proportional to the logarithm of the cluster size, and which can be explained using the Frenkel exciton model. The implications of the size and temperature dependencies for the relaxation processes in ionized clusters are discussed.
Krishtal, Alisa; Senet, Patrick; Van Alsenoy, Christian
2010-10-21
An analysis of the atomic polarizabilities α in stoichiometric aluminum phosphide clusters, computed at the MP2 and density functional theory (DFT) levels, the latter using the B3LYP functional, and partitioned using the classic and iterative versions of the Hirshfeld method, is presented. Two sets of clusters are examined: the ground-state Al(n)P(n) clusters (n=2-9) and the prolate clusters (Al(2)P(2))(N) and (Al(3)P(3))(N) (N≤6). In the ground-state clusters, the mean polarizability per atom, i.e., α/2n, decreases with the cluster size but shows peaks at n=5 and at n=7. We demonstrate that these peaks can be explained by a large polarizability of the Al atoms and by a low polarizability of the P atoms in Al(5)P(5) and Al(7)P(7) due to the presence of homopolar bonds in these clusters. We show indeed that the polarizability of an atom within an Al(n)P(n) cluster depends on the cluster size and the heteropolarity of the bonds it forms within the cluster, i.e., on the charges of the atoms. The polarizabilities of the fragments Al(2)P(2) and Al(3)P(3) in the prolate clusters were found to depend mainly on their location within the cluster. Finally, we show that the iterative Hirshfeld method is more suitable than the classic Hirshfeld method for describing the atomic polarizabilities and the atomic charges in clusters with heteropolar bonds, although both versions of the Hirshfeld method lead to similar conclusions.
Fluids with competing interactions. II. Validating a free energy model for equilibrium cluster size
Bollinger, Jonathan A.; Truskett, Thomas M.
2016-08-01
Using computer simulations, we validate a simple free energy model that can be analytically solved to predict the equilibrium size of self-limiting clusters of particles in the fluid state governed by a combination of short-range attractive and long-range repulsive pair potentials. The model is a semi-empirical adaptation and extension of the canonical free energy-based result due to Groenewold and Kegel [J. Phys. Chem. B 105, 11702-11709 (2001)], where we use new computer simulation data to systematically improve the cluster-size scalings with respect to the strengths of the competing interactions driving aggregation. We find that one can adapt a classical nucleation like theory for small energetically frustrated aggregates provided one appropriately accounts for a size-dependent, microscopic energy penalty of interface formation, which requires new scaling arguments. This framework is verified in part by considering the extensive scaling of intracluster bonding, where we uncover a superlinear scaling regime distinct from (and located between) the known regimes for small and large aggregates. We validate our model based on comparisons against approximately 100 different simulated systems comprising compact spherical aggregates with characteristic (terminal) sizes between six and sixty monomers, which correspond to wide ranges in experimentally controllable parameters.
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics
Sharma, Sandeep; Neese, Frank; Chan, Garnet Kin-Lic
2014-01-01
FeS clusters are a universal biological motif. They carry out electron transfer, redox chemistry, and even oxygen sensing, in diverse processes including nitrogen fixation, respiration, and photosynthesis. The low-lying electronic states are key to their remarkable reactivity, but cannot be directly observed. Here we present the first ever quantum calculation of the electronic levels of [2Fe-2S] and [4Fe-4S] clusters free from any model assumptions. Our results highlight limitations of long-standing models of their electronic structure. In particular, we demonstrate that the widely used Heisenberg-Double-Exchange model underestimates the number of states by 1-2 orders of magnitude, which can conclusively be traced to the absence of Fe d$\\rightarrow$d excitations, thought to be important in these clusters. Further, the electronic energy levels of even the same spin are dense on the scale of vibrational fluctuations, and this provides a natural explanation for the ubiquity of these clusters in nature for cataly...
DEFF Research Database (Denmark)
Kostoulas, P.; Nielsen, Søren Saxmose; Browne, W. J.;
2013-01-01
and power when applied to these groups. We propose the use of the variance partition coefficient (VPC), which measures the clustering of infection/disease for individuals with a common risk profile. Sample size estimates are obtained separately for those groups that exhibit markedly different heterogeneity......SUMMARY Disease cases are often clustered within herds or generally groups that share common characteristics. Sample size formulae must adjust for the within-cluster correlation of the primary sampling units. Traditionally, the intra-cluster correlation coefficient (ICC), which is an average...
Size and Structure of Cytochrome-c bound to Gold nano-clusters: Effect of Ethanol
Indian Academy of Sciences (India)
CATHERINE GHOSH; M D ASIF AMIN; BIMAN JANA; KANKAN BHATTACHARYYA
2017-07-01
Size and structure of cytochrome c (Cyt C) bound to gold nano-clusters (AuNC) were studied using fluorescence correlation spectroscopy (FCS) and circular dichroism (CD) spectroscopy. The CD spectra of Cyt C indicate that the ellipticity is almost completely lost on binding to AuNC which indicates unfolding.Addition of ethanol causes partial restoration of ellipticity and hence, structure of Cyt C. FCS data indicate that size (hydrodynamic radius, rH) of free Cyt C is 17Å which increases to 24Å on binding to AuNC. This too suggests unfolding of Cyt C upon binding to AuNCs. Both the size and conformational relaxation time of Cyt C bound to AuNC vary non-monotonically with increase in ethanol content.
Energy Technology Data Exchange (ETDEWEB)
Yeap, Swee Pin, E-mail: sweepin0727@hotmail.com; Ahmad, Abdul Latif; Ooi, Boon Seng; Lim, JitKang, E-mail: chjitkangl@usm.my [Universiti Sains Malaysia, School of Chemical Engineering (Malaysia)
2015-10-15
We report in this article an approach for manipulating the size of magnetic nanoparticle clusters (MNCs) via electrostatic-mediated assembly technique using an electrolyte as a clustering agent. The clusters were surface-tethered with poly(sodium 4-styrenesulfonate) (PSS) through electrostatic compensation to enhance their colloidal stability. Dynamic light scattering was employed to trace the evolution of cluster size. Simultaneously, electrophoretic mobility and Fourier transform infrared spectroscopy analyses were conducted to investigate the possible schemes involved in both cluster formation and PSS grafting. Results showed that the average hydrodynamic cluster size of the PSS/MNCs and their corresponding size distributions were successfully shifted by means of manipulating the suspension pH, the ionic nature of the electrolyte, and the electrolyte concentration. More specifically, the electrokinetic behavior of the particles upon interaction with the electrolyte plays a profound role in the formation of the PSS/MNCs. Nonetheless, the solubility of the polymer in electrolyte solution and the purification of the particles from residual ions should not be omitted in determining the effectiveness of this clustering approach. The PSS adlayer makes the resultant entities highly water-dispersible and provides electrosteric stabilization to shield the PSS/MNCs from aggregation. In this study, the experimental observations were analyzed and discussed on the basis of existing fundamental colloidal theories. The strategy of cluster size manipulation proposed here is simple and convenient to implement. Furthermore, manipulating the size of the MNCs also facilitates the tuning of magnetophoresis kinetics on exposure to low magnetic field gradient, which makes this nano-entity useful for engineering applications, specifically in separation processes.
High pressure studies on nanometer sized clusters: Structural, optical, and cooperative properties
Energy Technology Data Exchange (ETDEWEB)
Tolbert, S.H.
1995-05-01
High-pressure Se EXAFS is used to study pressure-induced structural transformations in CdSe nanocrystals. The transformation is wurtzite to rock salt, at a pressure much higher than in bulk. High-pressure XRD is used to confirm the EXAFS results. Diffraction peak widths indicate that nanocrystals do not fragment upon transformation. Optical absorption correlates with structural transformations and is used to measure transition pressures; transformation pressure increases smoothly as nanocrystal size decreases. Thermodynamics of transformation is modeled using an elevated surface energy in the high-pressure phase. High-pressure study of Si nanocrystals show large increases in transformation pressure in crystallites to 500{angstrom} diameter, and an overall change in crystallite shape upon transformation is seen from XRD line widths. C{sub 60} single crystals were studied using Raman scattering; results provide information about the clusters` rotational state. Optical properties of high-pressure phase CdSe clusters were studied.
Cluster mass profile reconstruction with size and flux magnification on the HST STAGES survey
Duncan, Christopher A J; Heavens, Alan F; Joachimi, Benjamin
2016-01-01
We present the first measurement of individual cluster mass estimates using weak lensing size and flux magnification. Using data from the HST-STAGES survey of the A901/902 supercluster we detect the four known groups in the supercluster at high significance using magnification alone. We discuss the application of a fully Bayesian inference analysis, and investigate a broad range of potential systematics in the application of the method. We compare our results to a previous weak lensing shear analysis of the same field finding the recovered signal-to-noise of our magnification-only analysis to range from 45% to 110% of the signal-to-noise in the shear-only analysis. On a case-by-case basis we find consistent magnification and shear constraints on cluster virial radius, and finding that for the full sample, magnification constraints to be a factor $0.77 \\pm 0.18$ lower than the shear measurements.
Cosentino, S; Mio, A M; Barbagiovanni, E G; Raciti, R; Bahariqushchi, R; Miritello, M; Nicotra, G; Aydinli, A; Spinella, C; Terrasi, A; Mirabella, S
2015-07-14
Quantum confinement (QC) typically assumes a sharp interface between a nanostructure and its environment, leading to an abrupt change in the potential for confined electrons and holes. When the interface is not ideally sharp and clean, significant deviations from the QC rule appear and other parameters beyond the nanostructure size play a considerable role. In this work we elucidate the role of the interface on QC in Ge quantum dots (QDs) synthesized by rf-magnetron sputtering or plasma enhanced chemical vapor deposition (PECVD). Through a detailed electron energy loss spectroscopy (EELS) analysis we investigated the structural and chemical properties of QD interfaces. PECVD QDs exhibit a sharper interface compared to sputter ones, which also evidences a larger contribution of mixed Ge-oxide states. Such a difference strongly modifies the QC strength, as experimentally verified by light absorption spectroscopy. A large size-tuning of the optical bandgap and an increase in the oscillator strength occur when the interface is sharp. A spatially dependent effective mass (SPDEM) model is employed to account for the interface difference between Ge QDs, pointing out a larger reduction in the exciton effective mass in the sharper interface case. These results add new insights into the role of interfaces on confined systems, and open the route for reliable exploitation of QC effects.
Quantum-size effects and thermal response of anti-Kramer-Pesch vortex core
Chen, Yajiang; Hong-Yu, Wu; Peeters, F. M.; Shanenko, A. A.
2015-04-01
Since the 1960's it has been well known that the basic superconductive quantities can exhibit oscillations as functions of the thickness (diameter) in superconducting nanofilms (nanowires) due to the size quantization of the electronic spectrum. However, very little is known about the effects of quantum confinement on the microscopic properties of vortices. Based on a numerical solution to the Bogoliubov-de Gennes equations, we study the quantum-size oscillations of the vortex core resulting from the sequential interchange of the Kramer-Pesch and anti-Kramer-Pesch regimes with changing nanocylinder radius. The physics behind the anti-Kramer-Pesch anomaly is displayed by utilizing a semi-analytical Anderson approximate solution. We also demonstrate that the anti-Kramer-Pesch vortex core is robust against thermal smearing and results in a distinctive two-maxima structure in the local density of states, which can be used to identify the existence of the anti-Kramer-Pesch vortex.
Chen, Xing; Moore, Justin E; Zekarias, Meserret; Jensen, Lasse
2015-11-10
The optical properties of metallic nanoparticles with nanometre dimensions exhibit features that cannot be described by classical electrodynamics. In this quantum size regime, the near-field properties are significantly modified and depend strongly on the geometric arrangements. However, simulating realistically sized systems while retaining the atomistic description remains computationally intractable for fully quantum mechanical approaches. Here we introduce an atomistic electrodynamics model where the traditional description of nanoparticles in terms of a macroscopic homogenous dielectric constant is replaced by an atomic representation with dielectric properties that depend on the local chemical environment. This model provides a unified description of bare and ligand-coated nanoparticles, as well as strongly interacting nanoparticle dimer systems. The non-local screening owing to an inhomogeneous ligand layer is shown to drastically modify the near-field properties. This will be important to consider in optimization of plasmonic nanostructures for near-field spectroscopy and sensing applications.
The size effect of the quantum coherence in the transverse-field XY chain
Energy Technology Data Exchange (ETDEWEB)
Wang, Lu; Yang, Cui-hong; Wang, Jun-feng [Department of Physics, Nanjing University of Information Science & Technology, Nanjing 210044 (China); Lei, Shu-guo, E-mail: sglei@njtech.edu.cn [College of Science, Nanjing Tech University, Nanjing, 211816 (China)
2016-12-15
Based on the Wigner–Yanase skew information, the size effect of the quantum coherence in the ground state of the finite transverse-field spin-1/2 XY chain is explored. It is found that the first-order derivatives of the single-spin coherence and the two-spin local coherence both have scaling behaviors in the vicinity of the critical point. A simplified version of coherence is also studied and the same characteristics with its counterpart are found.
DEFF Research Database (Denmark)
Leistikow, M.D.; Johansen, Jeppe; Kettelarij, A.J.;
2009-01-01
, allowing us to determine the size-dependent quantum efficiency and oscillator strength. We find that the quantum efficiency decreases with increasing emission energy mostly due to an increase in nonradiative decay. We manage to obtain the oscillator strength of the important class of CdSe quantum dots....... The oscillator strength varies weakly with frequency in agreement with behavior of quantum dots in the strong confinement limit. Surprisingly, previously calculated tight-binding results differ by a factor of 5 with the measured absolute values. Results from pseudopotential calculations agree well...
Holden, Lisa; Spitzig, Jeremy; Adams, Fred C
2010-01-01
A large fraction of stars forming in our galaxy are born within clusters embedded in giant molecular clouds. In these environments, the background UV radiation fields impinging upon circumstellar disks can often dominate over the radiation fields produced by each disk's central star. As a result, this background radiation can drive the evaporation of circumstellar disks and lead to the loss of planet forming potential within a cluster. This paper presents a detailed analysis of this process for clusters whose stellar membership falls within the range $100 \\le N \\le 1000$. For these intermediate-sized clusters, the background UV field is often dominated by the most massive stellar member. Due to the steep slope of the initial mass function, the amount of background UV light that bathes clusters of similar size displays significant variance. As a result, we perform a statistical analysis of this problem by calculating distributions of FUV flux values impinging upon star/disk systems for several cluster scenario...
Chaiken, J; Goodisman, J; Kornilov, Oleg; Peter Toennies, J
2006-08-21
A previously published model of homogeneous nucleation [Villarica et al., J. Chem. Phys. 98, 4610 (1993)] based on the Smoluchowski [Phys. Z. 17, 557 (1916)] equations is used to simulate the experimentally measured size distributions of 4He clusters produced in free jet expansions. The model includes only binary collisions and does not consider evaporative effects, so that binary reactive collisions are rate limiting for formation of all cluster sizes despite the need for stabilization of nascent clusters. The model represents these data very well, accounting in some cases for nearly four orders of magnitude in variation in abundance over cluster sizes ranging up to nearly 100 atoms. The success of the model may be due to particularities of 4He clusters, i.e., their very low coalescence exothermicity, and to the low temperature of 6.7 K at which the data were collected.
Study of system- size effects in multi- fragmentation using Quantum Molecular Dynamics model
Singh, J; Aichelin, Jörg; Singh, Jaivir; Puri, Rajeev K.
2001-01-01
We report, for the first time, the dependence of the multiplicity of different fragments on the system size employing a quantum molecular dynamics model. This dependence is extracted from the simulations of symmetric collisions of Ca+Ca, Ni+Ni, Nb+Nb, Xe+Xe, Er+Er, Au+Au and U+U at incident energies between 50 A MeV and 1 A GeV. We find that the multiplicity of different fragments scales with the size of the system which can be parameterized by a simple power law.
Specific Heat of Hollow Nanosphere Coupled to Substrate: Quantum Size Effects
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
With the help of the elastic wave theory, in the perturbed approximation the density-of-states for vibrational modes and the specific heat axe studied for different hollow Si nanospheres, coupled with a semi-infinite substrate. We find that the modes of such coupled hollow spheres are significantly broadened and shifted toward low frequencies. The specific heat of the coupled hollow nanosphere is bigger than an isolated one due to the coupling interaction and quantum size effects. The predicted coupling and size enhancements on specific heat are probed in thermal experiments.
Research on Dynamic Distributed Computing System for Small and Medium-Sized Computer Clusters
Institute of Scientific and Technical Information of China (English)
Le Kang; Jianliang Xu; Feng Liu
2012-01-01
Distributed computing system is a science by which a complex task that need for large amount of computation can be divided into small pieces and calculated by more than one computer,and we can get the final result according to results from each computer.This paper considers a distributed computing system running in the small and medium-sized computer clusters to solve the problem that single computer has a low efficiency,and improve the efficiency of large-scale computing.The experiments show that the system can effectively improve the efficiency and it is a viable program.
Exchange bias in finite sized NiO nanoparticles with Ni clusters
Gandhi, Ashish Chhaganlal; Lin, Jauyn Grace
2017-02-01
Structural and magnetic properties of finite sized NiO nanoparticles are investigated with synchrotron X-ray diffraction (XRD), transmission electron microscopy, magnetometer and ferromagnetic resonance (FMR) spectroscopy. A minor Ni phase is detected with synchrotron XRD, attributed to the oxygen defects in the NiO core. A considerable exchange bias of 100 Oe is observed at 50 K and it drops abruptly and vanishes above 150 K, in association with the reduction of frozen spins. FMR data indicate a strong interaction between ferromagnetic (FM) and antiferromagnetic (AFM) phases below 150 K, consistent with the picture of isolated FM clusters in AFM matrix.
Size and quality control of fast grown CdS quantum dots
Energy Technology Data Exchange (ETDEWEB)
Fregnaux, Mathieu [Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine - Metz, 1 Boulevard Arago, 57078 Metz (France); Laboratoire de Spectrometrie de Masse et Chimie Laser, Universite Paul Verlaine - Metz, 1 Boulevard Arago, 57078 Metz (France); Dalmasso, Stephane; Laurenti, Jean-Pierre [Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine - Metz, 1 Boulevard Arago, 57078 Metz (France); Gaumet, Jean-Jacques [Laboratoire de Spectrometrie de Masse et Chimie Laser, Universite Paul Verlaine - Metz, 1 Boulevard Arago, 57078 Metz (France)
2012-08-15
The synthesis of high quality II-VI semiconductor quantum dots (QDs) is fundamental for developing new devices in several applications such as biomarkers, solar cells or blue-UV lasers. These emerging technologies are funded on the size-dependent optical properties of the QDs. Consequently, it is a crucial aspect to get insight into different ways for syntheses of their nanosized particles. In this work, we use two different QD elaboration methods: (i) a single source precursor thermal growth methodology and (ii) a microwave synthetic route. Using both protocols, high quality small QDs (Oe < 5 nm) are produced. Both growing techniques offer the advantage to be simple and fast: 2 hours (i) and less than 25 minutes (ii) in duration, growth temperatures do not exceed 280 C. For both elaboration procedures, we report a unique physics/chemistry cross-disciplinary study on these small size QDs: mass spectrometry (MS) technique provides background data about composition, size and stability of particles; crystalline structure and size distribution of the QDs are obtained from X-ray diffraction (XRD) and transmission electron microscopy (TEM); room temperature (RT) optical spectrometry of nanodispersions - photoluminescence (PL) and absorption - reveals quantum size effects. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Synapse clusters are preferentially formed by synapses with large recycling pool sizes.
Directory of Open Access Journals (Sweden)
Oliver Welzel
Full Text Available Synapses are distributed heterogeneously in neural networks. The relationship between the spatial arrangement of synapses and an individual synapse's structural and functional features remains to be elucidated. Here, we examined the influence of the number of adjacent synapses on individual synaptic recycling pool sizes. When measuring the discharge of the styryl dye FM1-43 from electrically stimulated synapses in rat hippocampal tissue cultures, a strong positive correlation between the number of neighbouring synapses and recycling vesicle pool sizes was observed. Accordingly, vesicle-rich synapses were found to preferentially reside next to neighbours with large recycling pool sizes. Although these synapses with large recycling pool sizes were rare, they were densely arranged and thus exhibited a high amount of release per volume. To consolidate these findings, functional terminals were marked by live-cell antibody staining with anti-synaptotagmin-1-cypHer or overexpression of synaptopHluorin. Analysis of synapse distributions in these systems confirmed the results obtained with FM 1-43. Our findings support the idea that clustering of synapses with large recycling pool sizes is a distinct developmental feature of newly formed neural networks and may contribute to functional plasticity.
Thermodynamics and equilibrium structure of Ne38 cluster: quantum mechanics versus classical.
Predescu, Cristian; Frantsuzov, Pavel A; Mandelshtam, Vladimir A
2005-04-15
The equilibrium properties of classical Lennard-Jones (LJ38) versus quantum Ne38 Lennard-Jones clusters are investigated. The quantum simulations use both the path-integral Monte Carlo (PIMC) and the recently developed variational-Gaussian wave packet Monte Carlo (VGW-MC) methods. The PIMC and the classical MC simulations are implemented in the parallel tempering framework. The classical heat capacity Cv(T) curve agrees well with that of Neirotti et al. [J. Chem. Phys. 112, 10340 (2000)], although a much larger confining sphere is used in the present work. The classical Cv(T) shows a peak at about 6 K, interpreted as a solid-liquid transition, and a shoulder at approximately 4 K, attributed to a solid-solid transition involving structures from the global octahedral (Oh) minimum and the main icosahedral (C5v) minimum. The VGW method is used to locate and characterize the low energy states of Ne38, which are then further refined by PIMC calculations. Unlike the classical case, the ground state of Ne38 is a liquidlike structure. Among the several liquidlike states with energies below the two symmetric states (Oh and C5v), the lowest two exhibit strong delocalization over basins associated with at least two classical local minima. Because the symmetric structures do not play an essential role in the thermodynamics of Ne38, the quantum heat capacity is a featureless curve indicative of the absence of any structural transformations. Good agreement between the two methods, VGW and PIMC, is obtained. The present results are also consistent with the predictions by Calvo et al. [J. Chem. Phys. 114, 7312 (2001)] based on the quantum superposition method within the harmonic approximation. However, because of its approximate nature, the latter method leads to an incorrect assignment of the Ne38 ground state as well as to a significant underestimation of the heat capacity.
Improved dot size uniformity and luminescense of InAs quantum dots on InP substrate
Qiu, Y.; Uhl, D.
2002-01-01
InAs self-organized quantum dots have been grown in InGaAs quantum well on InP substrates by metalorganic vapor phase epitaxy. Atomic Force Microscopy confirmed of quantum dot formation with dot density of 3X10(sup 10) cm(sup -2). Improved dot size uniformity and strong room temperature photoluminescence up to 2 micron were observed after modifying the InGaAs well.
Size control by rate control in colloidal PbSe quantum dot synthesis
Čapek, Richard Karel; Yanover, Dianna; Lifshitz, Efrat
2015-03-01
A recently demonstrated approach to control the size of colloidal nanoparticles, ``size control by rate control'', which was validated on the examples of colloidal CdSe- and CdS-quantum dot (CQD) synthesis, appears to be a general strategy for designing technically applicable CQD-syntheses. The ``size control by rate control'' concept allows full-yield syntheses of ensembles of CQDs with different sizes by tuning the solute formation rate. In this work, we extended this strategy to dialkylphosphine enhanced hot-injection synthesis of PbSe-CQDs. Furthermore, we provide new insight into the reaction mechanism of dialkylphosphine enhancement in TOPSe based CQD-syntheses.A recently demonstrated approach to control the size of colloidal nanoparticles, ``size control by rate control'', which was validated on the examples of colloidal CdSe- and CdS-quantum dot (CQD) synthesis, appears to be a general strategy for designing technically applicable CQD-syntheses. The ``size control by rate control'' concept allows full-yield syntheses of ensembles of CQDs with different sizes by tuning the solute formation rate. In this work, we extended this strategy to dialkylphosphine enhanced hot-injection synthesis of PbSe-CQDs. Furthermore, we provide new insight into the reaction mechanism of dialkylphosphine enhancement in TOPSe based CQD-syntheses. Electronic supplementary information (ESI) available: Additional data about the reaction and growth kinetics, NMR-data and exemplary TEM images of PbSe-CQDs prepared by the procedure described in this publication. See DOI: 10.1039/c5nr00028a
Energy Technology Data Exchange (ETDEWEB)
Mehta, Virat; Ikeda, Yoshihiro; Takano, Ken; Terris, Bruce D.; Hellwig, Olav [San Jose Research Center, HGST a Western Digital company, 3403 Yerba Buena Rd., San Jose, California 95135 (United States); Wang, Tianhan [Department of Materials Science and Engineering, Stanford University, Stanford, California 94035 (United States); Stanford Institute for Materials and Energy Science (SIMES), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Wu, Benny; Graves, Catherine [Stanford Institute for Materials and Energy Science (SIMES), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94035 (United States); Dürr, Hermann A.; Scherz, Andreas; Stöhr, Jo [Stanford Institute for Materials and Energy Science (SIMES), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States)
2015-05-18
We analyze the magnetic cluster size (MCS) and magnetic cluster size distribution (MCSD) in a variety of perpendicular magnetic recording (PMR) media designs using resonant small angle x-ray scattering at the Co L{sub 3} absorption edge. The different PMR media flavors considered here vary in grain size between 7.5 and 9.5 nm as well as in lateral inter-granular exchange strength, which is controlled via the segregant amount. While for high inter-granular exchange, the MCS increases rapidly for grain sizes below 8.5 nm, we show that for increased amount of segregant with less exchange the MCS remains relatively small, even for grain sizes of 7.5 and 8 nm. However, the MCSD still increases sharply when shrinking grains from 8 to 7.5 nm. We show evidence that recording performance such as signal-to-noise-ratio on the spin stand correlates well with the product of magnetic cluster size and magnetic cluster size distribution.
Structure Matters More than Size: Tuning the Electronic Properties of (TiO2)n Clusters
Marom, Noa; Bhattacharya, Saswata; Ghiringhelli, Luca
2015-03-01
To design (TiO2)n clusters with desired properties we implemented a suite of three genetic algorithms (GA) tailored to optimize for low total energy (EGA), high vertical electron affinity (VEA-GA), and low vertical ionization potential (VIP-GA). The property-based GAs are an extension of the cascade GA reported in. Analysis of the structures found by the VEA-GA and the VIP-GA vs. the EGA reveals structure-property relations. A high VEA is correlated with the presence of several dangling-O atoms (typically 3-4), rather than the previously suggested tri-coordinated Ti atom. A low VIP is correlated with low bond connectivity (typically 2) between two dangling-O atoms. We show that the electronic properties of (TiO2)n clusters with n up to 20 correlate more strongly with the presence of these structural features than with size. We further suggest that the presence of dangling-O atoms on TiO2 clusters or surfaces may be associated with enhanced catalytic activity and that these O atoms may serve as active sites. The process of optimization for a target property reveals the underlying structure-property relations and the structural features that may serve as active sites for catalysis. This generally applicable approach may provide valuable physical insight and design rules for better nanocatalysts.
2016-10-27
pathway Status: not yet published Diverse technologies, from catalyst coking to graphene synthesis , entail hydrocarbon dehydrogena- tion and...AFRL-AFOSR-UK-TR-2016-0037 Towards cluster-assembled materials of true monodispersity in size and chemical environment: Synthesis , Dynamics and...Towards cluster-assembled materials of true monodispersity in size and chemical environment: synthesis , dynamics and activity 5a. CONTRACT NUMBER 5b
Predicted Sizes of Pressure-Supported HI Clouds in the Outskirts of the Virgo Cluster
Burkhart, Blakesley
2016-01-01
Using data from the ALFALFA Arecibo HI survey of galaxies and the Virgo cluster X-ray pressure profiles from XMM-Newton, we investigate the possibility that starless dark HI clumps, also known as "dark galaxies", could be supported by external pressure in the surrounding intercluster medium. We find that the starless HI clump masses, velocity dispersions and positions allow them to be in pressure equilibrium with the X-ray gas near the virial radius of the Virgo cluster. We predict the sizes of these clumps to range from 1kpc to 10kpc, in agreement with the range of sizes found for spatially resolved HI starless clumps outside of Virgo. Based on the predicted HI surface density of the Virgo sources, as well as a sample of other resolved ALFALFA HI dark clumps with follow up optical/radio observations, we predict that most of the HI dark clumps are on the cusp of forming stars. These HI sources therefore mark the transition between starless HI clouds and dwarf galaxies with stars.
Inferring Gravitational Potentials from Mass Densities in Cluster-sized Halos
Miller, Christopher J.; Stark, Alejo; Gifford, Daniel; Kern, Nicholas
2016-05-01
We use N-body simulations to quantify how the escape velocity in cluster-sized halos maps to the gravitational potential in a ΛCDM universe. Using spherical density-potential pairs and the Poisson equation, we find that the matter density inferred gravitational potential profile predicts the escape velocity profile to within a few percent accuracy for group and cluster-sized halos (10{}13\\lt {M}200\\lt {10}15 M {}⊙ , with respect to the critical density). The accuracy holds from just outside the core to beyond the virial radius. We show the importance of explicitly incorporating a cosmological constant when inferring the potential from the Poisson equation. We consider three density models and find that the Einasto and Gamma profiles provide a better joint estimate of the density and potential profiles than the Navarro, Frenk, and White profile, which fails to accurately represent the escape velocity. For individual halos, the 1σ scatter between the measured escape velocity and the density-inferred potential profile is small (<5%). Finally, while the sub-halos show 15% biases in their representation of the particle velocity dispersion profile, the sub-halo escape velocity profile matches the dark matter escape velocity profile to high accuracy with no evidence of velocity bias outside 0.4r 200.
Energy Technology Data Exchange (ETDEWEB)
Apai, G.; Hamilton, J.F.; Stohr, J.; Thompson, A.
1979-07-09
Extended x-ray--absorption fine-structure measurements have been made on metal clusters of Cu and Ni which were formed by vapor deposition on amorphous carbon substrates. Small clusters of both elements show a substantial contraction of the nearest-neighbor metal-metal distance and an increase in binding energy for the onset of the K absorption edge. The results are explained by the increasing surface-to-volume ratio as the cluster size decreases resulting in a more free-atom--like configuration of the metal atoms.
Quantum dot size dependent J-V characteristics in heterojunction ZnO/PbS quantum dot solar cells.
Gao, Jianbo; Luther, Joseph M; Semonin, Octavi E; Ellingson, Randy J; Nozik, Arthur J; Beard, Matthew C
2011-03-01
The current-voltage (J-V) characteristics of ZnO/PbS quantum dot (QD) solar cells show a QD size-dependent behavior resulting from a Schottky junction that forms at the back metal electrode opposing the desirable diode formed between the ZnO and PbS QD layers. We study a QD size-dependent roll-over effect that refers to the saturation of photocurrent in forward bias and crossover effect which occurs when the light and dark J-V curves intersect. We model the J-V characteristics with a main diode formed between the n-type ZnO nanocrystal (NC) layer and p-type PbS QD layer in series with a leaky Schottky-diode formed between PbS QD layer and metal contact. We show how the characteristics of the two diodes depend on QD size, metal work function, and PbS QD layer thickness, and we discuss how the presence of the back diode complicates finding an optimal layer thickness. Finally, we present Kelvin probe measurements to determine the Fermi level of the QD layers and discuss band alignment, Fermi-level pinning, and the V(oc) within these devices.
Boehme, Simon C; Wang, Hai; Siebbeles, Laurens D A; Vanmaekelbergh, Daniel; Houtepen, Arjan J
2013-03-26
Films of colloidal quantum dots (QDs) show great promise for application in optoelectronic devices. Great advances have been made in recent years in designing efficient QD solar cells and LEDs. A very important aspect in the design of devices based on QD films is the knowledge of their absolute energy levels. Unfortunately, reported energy levels vary markedly depending on the employed measurement technique and the environment of the sample. In this report, we determine absolute energy levels of QD films by electrochemical charge injection. The concomitant change in optical absorption of the film allows quantification of the number of charges in quantum-confined levels and thereby their energetic position. We show here that the size of voids in the QD films (i.e., the space between the quantum dots) determines the amount of charges that may be injected into the films. This effect is attributed to size exclusion of countercharges from the electrolyte solution. Further, the energy of the QD levels depends on subtle changes in the QD film and the supporting electrolyte: the size of the cation and the QD ligand length. These nontrivial effects can be explained by the proximity of the cation to the QD surface and a concomitant lowering of the electrochemical potential. Our findings help explain the wide range of reported values for QD energy levels and redefine the limit of applicability of electrochemical measurements on QD films. Finally, the finding that the energy of QD levels depends on ligand length and counterion size may be exploited in optimized designs of QD sensitized solar cells.
Steady States of Infinite-Size Dissipative Quantum Chains via Imaginary Time Evolution
Gangat, Adil A.; I, Te; Kao, Ying-Jer
2017-07-01
Directly in the thermodynamic limit, we show how to combine local imaginary and real-time evolution of tensor networks to efficiently and accurately find the nonequilibrium steady states (NESSs) of one-dimensional dissipative quantum lattices governed by a local Lindblad master equation. The imaginary time evolution first bypasses any highly correlated portions of the real-time evolution trajectory by directly converging to the weakly correlated subspace of the NESS, after which, real-time evolution completes the convergence to the NESS with high accuracy. We demonstrate the power of the method with the dissipative transverse field quantum Ising chain. We show that a crossover of an order parameter shown to be smooth in previous finite-size studies remains smooth in the thermodynamic limit.
Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations
Jia, Yu; Wu, Biao; Li, Chong; Einstein, T. L.; Weitering, H. H.; Zhang, Zhenyu
2010-08-01
Using first-principles calculations within density functional theory, we study Friedel oscillations (FOs) in the electron density at different metal surfaces and their influence on the lattice relaxation and stability of ultrathin metal films. We show that the FOs at the Pb(111) surface decay as 1/x with the distance x from the surface, different from the conventional 1/x2 power law at other metal surfaces. The underlying physical reason for this striking difference is tied to the strong nesting of the two different Fermi sheets along the Pb(111) direction. The interference of the strong FOs emanating from the two surfaces of a Pb(111) film, in turn, not only results in superoscillatory interlayer relaxations around the center of the film, but also determines its stability in the quantum regime. As a simple and generic picture, the present findings also explain why quantum size effects are exceptionally robust in Pb(111) films.
Directory of Open Access Journals (Sweden)
Amin Qorbani
2011-12-01
Full Text Available Fractal Image Compression is a well-known problem which is in the class of NP-Hard problems.Quantum Evolutionary Algorithm is a novel optimization algorithm which uses a probabilisticrepresentation for solutions and is highly suitable for combinatorial problems like Knapsack problem.Genetic algorithms are widely used for fractal image compression problems, but QEA is not used for thiskind of problems yet. This paper improves QEA whit change population size and used it in fractal imagecompression. Utilizing the self-similarity property of a natural image, the partitioned iterated functionsystem (PIFS will be found to encode an image through Quantum Evolutionary Algorithm (QEA methodExperimental results show that our method has a better performance than GA and conventional fractalimage compression algorithms.
Size-controlled synthesis of SnO{sub 2} quantum dots and their gas-sensing performance
Energy Technology Data Exchange (ETDEWEB)
Du, Jianping, E-mail: dujp518@163.com [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Zhao, Ruihua [Shanxi Kunming Tobacco Limited Liability Company, Taiyuan 030012, Shanxi (China); Xie, Yajuan [College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Li, Jinping, E-mail: jpli211@hotmail.com [Research Institute of Special Chemicals, Taiyuan University of Technology, Shanxi, 030024 (China)
2015-08-15
Graphical abstract: The gas-sensing property of quantum dots is related to their sizes. SnO{sub 2} quantum dots (TQDs) were synthesized and the sizes were controlled by a simple strategy. The results show that controlling QDs size is efficient to detect low-concentration hazardous volatile compounds selectively. - Highlights: • SnO{sub 2} quantum dots with controllable size were synthesized by hydrothermal route. • The sizes of SnO{sub 2} quantum dots (TQDs) were controlled by a simple strategy. • The responses to volatile chemicals strongly depend on the size of quantum dots. • Small-size TQDs exhibit a good selectivity and response to triethylamine. • Controlling size is efficient to detect low-concentration toxic gases selectively. - Abstract: Tin dioxide quantum dots (TQDs) with controllable size were synthesized by changing the amount of alkaline reagent in the hydrothermal process. The gas-sensing properties were investigated by operating chemoresistor type sensor. The morphology and structure were characterized by X-ray diffraction, scanning/transmission electron microscopy, UV–vis and Raman spectrometry. The as-synthesized SnO{sub 2} shows the characteristics of quantum dots and the narrowest size distribution is about 2–3 nm. The gas-sensing results indicate that the responses are strongly dependent on the size of quantum dots. TQDs with different sizes exhibit different sensitivities and selectivities to volatile toxic chemicals such as aldehyde, acetone, methanol, ethanol and amine. Especially, when the sensors are exposed to 100 ppm triethylamine (TEA), the sensing response value of TQDs with small size is two times higher than that of the large-size TQDs. The maximum response values of TQDs to 1 ppm and 100 ppm TEA are 15 and 153, respectively. The response time is 1 s and the recovery time is 47 s upon exposure to 1 ppm TEA. The results suggest that it is an effective method by regulating the size of SnO{sub 2} quantum dots to detect low
Yin, Chunrong; Zheng, Fan; Lee, Sungsik; Guo, Jinghua; Wang, Wei-Cheng; Kwon, Gihan; Vajda, Viktor; Wang, Hsien-Hau; Lee, Byeongdu; DeBartolo, Janae; Seifert, Sönke; Winans, Randall E; Vajda, Stefan
2014-09-18
Size-selected subnanometer cobalt clusters with 4, 7, and 27 cobalt atoms supported on amorphous alumina and ultrananocrystalline diamond (UNCD) surfaces were oxidized after exposure to ambient air. Grazing incidence X-ray absorption near-edge spectroscopy (GIXANES) and near-edge X-ray absorption fine structure (NEXAFS) were used to characterize the clusters revealed a strong dependency of the oxidation state and structure of the clusters on the surface. A dominant Co(2+) phase was identified in all samples. However, XANES analysis of cobalt clusters on UNCD showed that ∼10% fraction of a Co(0) phase was identified for all three cluster sizes and about 30 and 12% fraction of a Co(3+) phase in 4, 7, and 27 atom clusters, respectively. In the alumina-supported clusters, the dominating Co(2+) component was attributed to a cobalt aluminate, indicative of a very strong binding to the support. NEXAFS showed that in addition to strong binding of the clusters to alumina, their structure to a great extent follows the tetrahedral morphology of the support. All supported clusters were found to be resistant to agglomeration when exposed to reactive gases at elevated temperatures and atmospheric pressure.
Finite-size analysis of continuous-variable quantum key distribution
Leverrier, Anthony; Grangier, Philippe
2010-01-01
The goal of this paper is to extend the framework of finite size analysis recently developed for quantum key distribution to continuous-variable protocols. We do not solve this problem completely here, and we mainly consider the finite size effects on the parameter estimation procedure. Despite the fact that some questions are left open, we are able to give an estimation of the secret key rate for protocols which do not contain a postselection procedure. As expected, these results are significantly more pessimistic than the ones obtained in the asymptotic regime. However, we show that recent continuous-variable protocols are able to provide fully secure secret keys in the finite size scenario, over distances larger than 50 km.
Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption
Energy Technology Data Exchange (ETDEWEB)
Zhang, Ruiqiang; Qi, Shifei; Jia, Jianfeng [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Key Laboratory of Magnetic Molecules and Magnetic Information Materials, Ministry of Education, Linfen 041004 (China); Torre, Bryna [Department of Physics, University at Buffalo, The State University of New York, Buffalo, NY 14260 (United States); Zeng, Hao [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Department of Physics, University at Buffalo, The State University of New York, Buffalo, NY 14260 (United States); Wu, Haishun [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Key Laboratory of Magnetic Molecules and Magnetic Information Materials, Ministry of Education, Linfen 041004 (China); Xu, Xiaohong, E-mail: xuxiaohong_ly@163.com [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Key Laboratory of Magnetic Molecules and Magnetic Information Materials, Ministry of Education, Linfen 041004 (China)
2015-02-25
Highlights: • The size effect affects both the visible light absorption and the zigzag edge state. • Zigzag edge state is important than armchair edge state for visible light absorption. • The Seam atoms should be noted for the randomly shaped GQDs. - Abstract: Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices.
Controlling atomistic processes on Pb films via quantum size effects and lattice rotation
Energy Technology Data Exchange (ETDEWEB)
Binz, Steven [Iowa State Univ., Ames, IA (United States)
2012-01-01
The two main techniques used to record the data in this dissertation were Spot Profile Analysis - Low Energy Electron Diffraction (SPA-LEED) and Scanning Tunneling Microscopy (STM). A specific data analysis technique for LEED data called G(S) curves is described in depth. G(S) curves can provide a great deal of structural information about the surface; including step heights, island size, and island separation. The effects of quantum size effects (QSE) on the diffusion and critical island sizes of Pb and In on Pb films are reported. Pb depositions on the 2D In phases {radical}3 and {radical}31 to see how the phases affect the Pb growth and its strong QSE are reported.
Ai, Qing; Jin, Bih-Yaw; Cheng, Yuan-Chung
2013-01-01
Elucidating quantum coherence effects and geometrical factors for efficient energy transfer in photosynthesis has the potential to uncover non-classical design principles for advanced organic materials. We study energy transfer in a linear light-harvesting model to reveal that dimerized geometries with strong electronic coherences within donor and acceptor pairs exhibit significantly improved efficiency, which is in marked contrast to predictions of the classical F\\"orster theory. We reveal that energy tuning due to coherent delocalization of photoexcitations is mainly responsible for the efficiency optimization. This coherence-assisted energy-tuning mechanism also explains the energetics and chlorophyll arrangements in the widely-studied Fenna-Matthews-Olson complex. We argue that a clustered network with rapid energy relaxation among donors and resonant energy transfer from donor to acceptor states provides a basic formula for constructing efficient light-harvesting systems, and the general principles revea...
Cluster States from Quantum Logic Gates with Trapped Ions in Thermal Motion
Institute of Scientific and Technical Information of China (English)
YANG Wen-Xing; ZHAN Zhi-Ming; LI Jia-Hua
2006-01-01
Following the recent proposal by Briegel et al. [Phys. Rev. Lett. 86 (2001) 910], a procedure is proposed for one-step realizing quantum control phase gates with two trapped ions in thermal motion. It is shown that the scheme can also be used to create a new special type of entangled states, i.e., cluster states of many trapped ions. In the scheme the two-trapped ions are simultaneously excited by a single laser beam and the frequency of the laser beam is slightly off resonance with the first lower vibration sideband of the trapped ions. The distinct advantage of the scheme is that it does not use the vibrational mode as the data bus. Furthermore, our scheme is insensitive to both the initial motional state and heating (or decay) as long as the system remains in the Lamb-Dicke regime.
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.
Tokunaga, Yuuki; Kuwashiro, Shin; Yamamoto, Takashi; Koashi, Masato; Imoto, Nobuyuki
2008-05-30
We experimentally demonstrate a simple scheme for generating a four-photon entangled cluster state with fidelity over 0.860+/-0.015. We show that the fidelity is high enough to guarantee that the produced state is distinguished from Greenberger-Horne-Zeilinger, W, and Dicke types of genuine four-qubit entanglement. We also demonstrate basic operations of one-way quantum computing using the produced state and show that the output state fidelities surpass classical bounds, which indicates that the entanglement in the produced state essentially contributes to the quantum operation.
Institute of Scientific and Technical Information of China (English)
XIAO,De-Bao; TIAN,Zhi-Yuan; XI,Lu; ZHAO,Li-Yun; YANG,Wen-Sheng; YAO,Jian-Nian
2003-01-01
Organic nanocrystals of 1,3,5-triphenyl-2-pyrazoline(TPP) with a series of sizes were synthesized by reprecipitation method. The luminescence quantum efficiency of TPP nanocrystals increases from 24.2% for the nanocrystals with an average size of 300 nm to 34.6% for those with an average size of 20 nm. Surface cappinb by polyvinyl pyrrolidone (PVP) will improve the quantum efficiency of TPP nanocrystals. The size-dependence and equilibrium between the TPP monomers and the aggregates in TPP nanocrystals.
Smithies, Oliver; Lawrence, Marlon; Testen, Anze; Horne, Lloyd P; Wilder, Jennifer; Altenburg, Michael; Bleasdale, Ben; Maeda, Nobuyo; Koklic, Tilen
2014-11-11
Reducing dilute aqueous HAuCl4 with NaSCN under alkaline conditions produces 2-3 nm diameter yellow nanoparticles without the addition of extraneous capping agents. We here describe two very simple methods for producing highly stable oligomeric grape-like clusters (oligoclusters) of these small nanoparticles. The oligoclusters have well-controlled diameters ranging from ∼5 to ∼30 nm, depending mainly on the number of subunits in the cluster. Our first ["delay-time"] method controls the size of the oligoclusters by varying from seconds to hours the delay time between making the HAuCl4 alkaline and adding the reducing agent, NaSCN. Our second ["add-on"] method controls size by using yellow nanoparticles as seeds onto which varying amounts of gold derived from "hydroxylated gold", Na(+)[Au(OH4-x)Clx](-), are added-on catalytically in the presence of NaSCN. Possible reaction mechanisms and a simple kinetic model fitting the data are discussed. The crude oligocluster preparations have narrow size distributions, and for most purposes do not require fractionation. The oligoclusters do not aggregate after ∼300-fold centrifugal-filter concentration, and at this high concentration are easily derivatized with a variety of thiol-containing reagents. This allows rare or expensive derivatizing reagents to be used economically. Unlike conventional glutathione-capped nanoparticles of comparable gold content, large oligoclusters derivatized with glutathione do not aggregate at high concentrations in phosphate-buffered saline (PBS) or in the circulation when injected into mice. Mice receiving them intravenously show no visible signs of distress. Their sizes can be made small enough to allow their excretion in the urine or large enough to prevent them from crossing capillary basement membranes. They are directly visible in electron micrographs without enhancement, and can model the biological fate of protein-like macromolecules with controlled sizes and charges. The ease of
Scale size and life time of energy conversion regions observed by Cluster in the plasma sheet
Directory of Open Access Journals (Sweden)
M. Hamrin
2009-11-01
Full Text Available In this article, and in a companion paper by Hamrin et al. (2009 [Occurrence and location of concentrated load and generator regions observed by Cluster in the plasma sheet], we investigate localized energy conversion regions (ECRs in Earth's plasma sheet. From more than 80 Cluster plasma sheet crossings (660 h data at the altitude of about 15–20 R_{E} in the summer and fall of 2001, we have identified 116 Concentrated Load Regions (CLRs and 35 Concentrated Generator Regions (CGRs. By examining variations in the power density, E·J, where E is the electric field and J is the current density obtained by Cluster, we have estimated typical values of the scale size and life time of the CLRs and the CGRs. We find that a majority of the observed ECRs are rather stationary in space, but varying in time. Assuming that the ECRs are cylindrically shaped and equal in size, we conclude that the typical scale size of the ECRs is 2 R_{E}≲ΔS_{ECR}≲5 R_{E}. The ECRs hence occupy a significant portion of the mid altitude plasma sheet. Moreover, the CLRs appear to be somewhat larger than the CGRs. The life time of the ECRs are of the order of 1–10 min, consistent with the large scale magnetotail MHD simulations of Birn and Hesse (2005. The life time of the CGRs is somewhat shorter than for the CLRs. On time scales of 1–10 min, we believe that ECRs rise and vanish in significant regions of the plasma sheet, possibly oscillating between load and generator character. It is probable that at least some of the observed ECRs oscillate energy back and forth in the plasma sheet instead of channeling it to the ionosphere.
The Kinetic and Equilibrium Cluster Size Distributions of Finite Bond Aggregation Processes
Sherman, Derin Andrew
Aggregation is a phenomenon central to many natural and synthetic processes. In this thesis, I explore in detail the phenomenon of antibody-induced colloidal aggregation. I use a new and novel system composed of highly charged uniform polystyrene microspheres to which antigens are covalently coupled. Bivalent antibodies in solution bind to the antigens on the spheres' surfaces and crosslink the spheres causing them to aggregate. As such, the bonds which form between the spheres are discrete and rigid. Using a single particle light scattering instrument developed in the Cohen laboratory, I have measured the temporal evolution of the cluster size distribution for the system of spheres and antibodies. The results show that the cluster size distribution exhibits dynamic scaling. Although antigen coated colloidal spheres have been used extensively in the past, the system I use is unique in that the bonds which form between the antibodies and the spheres are fragile making the aggregation process thermodynamically reversible. This effect causes the system to reach equilibrium in a finite amount of time. The classical theory which predicts the equilibrium cluster size distribution for a variety of aggregating systems is known as Flory -Stockmayer theory. Since each monomer possesses several antibodies and several antigens,m the colloidal system is expected to obey the statistics for the Flory A _{f}RB_{g} model where f,ggg 1. In Flory's model, the system is expected to gel. However, I see no evidence of gelation. I am able to resolve this discrepancy using the ideas of Ball and colleagues. I have also developed the theory by which this system may be used to measure the binding affinity between antibodies and antigens. I have used the light scattering instrument to measure the binding affinity between a monoclonal antibody and a number of different antigens covering a large range of binding affinities. I have demonstrated that the instrument is capable of detecting small
Ma, Xuedan; Diroll, Benjamin T; Cho, Wooje; Fedin, Igor; Schaller, Richard D; Talapin, Dmitri V; Gray, Stephen K; Wiederrecht, Gary P; Gosztola, David J
2017-09-05
Quasi-two-dimensional nanoplatelets (NPLs) possess fundamentally different excitonic properties from zero-dimensional quantum dots. We study lateral size-dependent photon emission statistics and carrier dynamics of individual NPLs using second-order photon correlation (g((2))(τ)) spectroscopy and photoluminescence (PL) intensity-dependent lifetime analysis. Room-temperature radiative lifetimes of NPLs can be derived from maximum PL intensity periods in PL time traces. It first decreases with NPL lateral size and then stays constant, deviating from the electric dipole approximation. Analysis of the PL time traces further reveals that the single exciton quantum yield in NPLs decreases with NPL lateral size and increases with protecting shell thickness, indicating the importance of surface passivation on NPL emission quality. Second-order photon correlation (g((2))(τ)) studies of single NPLs show that the biexciton quantum yield is strongly dependent on the lateral size and single exciton quantum yield of the NPLs. In large NPLs with unity single exciton quantum yield, the corresponding biexciton quantum yield can reach unity. These findings reveal that by careful growth control and core-shell material engineering, NPLs can be of great potential for light amplification and integrated quantum photonic applications.
Comprehensive size effect on PbSe quantum dot-doped liquid-core optical fiber
Zhang, Lei; Zhang, Bing; Ning, Lina; Li, Shuai; Zheng, Youjin
2017-01-01
We have theoretically studied a comprehensive size effect on the spectra of PbSe quantum dot (QD)-doped liquid-core optical fiber, including PbSe QD's particle size and particle number effect, and fiber length and fiber diameter effect. The doping concentration, pump intensity and wavelength were fixed at proper values for comparison. The red shift of emission spectral peak increased with QD diameter, QD number, fiber length and fiber diameter, and reached up to saturation with increasingly QD number which was explained in detail. The evolutions of spectral intensity with the four size parameters were gained, and the related "optimal" (under the certain other parameters) fiber length, diameter and QD number were observed for PbSe QDs of different size as the dopant. Furthermore, each kind of the "optimal" value changed with the other three size parameters. These four size parameters restricted each other, and affected the spectral features together. The calculating results fitted well to the experimental data. This research might be a theoretical basis in the design of optical fiber-based device.
Indian Academy of Sciences (India)
Raksha Sharma; Rakesh Malik; Subhalakshmi Lamba; S Annapoorni
2008-06-01
Nanocomposites of iron oxide with conducting polymer in the form of powders of varying compositions have been studied to understand the effects of particle size, cluster size and magnetic inter-particle interactions. The sizes of the nanoparticles were estimated to be ∼ 10–20 nm from the X-ray diffraction (XRD) and the transmission electron micrographs (TEM). XRD shows a single crystalline phase for the -Fe2O3. The presence of conducting polymer was confirmed through Fourier transform infrared (FTIR) spectroscopy. The amount of polymer present in the composite, the transition temperature of iron oxide and the thermal stability of polymer was determined through thermogravimetric and differential thermal analysis (TGA–DTA). The room temperature magnetic hysteresis measurements show reduction in saturation magnetization with increasing polymer concentrations. A low value of coercivity was observed for low polymer composites. On increasing the polymer concentration, the coercivity and remanence become negligible indicating a superparamagnetic phase at room temperature. Beyond a certain composition, the system shows paramagnetic behaviour which is also confirmed through zero field cooled–field cooled (ZFC–FC) measurements. We also report preliminary results on the magnetic properties of self standing sheets prepared using -Fe2O3 and NiFe2O4 nanoparticles and conducting polymers.
Hocaoğlu, C; Sanderson, A C
1997-01-01
A novel genetic algorithm (GA) using minimal representation size cluster (MRSC) analysis is designed and implemented for solving multimodal function optimization problems. The problem of multimodal function optimization is framed within a hypothesize-and-test paradigm using minimal representation size (minimal complexity) for species formation and a GA. A multiple-population GA is developed to identify different species. The number of populations, thus the number of different species, is determined by the minimal representation size criterion. Therefore, the proposed algorithm reveals the unknown structure of the multimodal function when a priori knowledge about the function is unknown. The effectiveness of the algorithm is demonstrated on a number of multimodal test functions. The proposed scheme results in a highly parallel algorithm for finding multiple local minima. In this paper, a path-planning algorithm is also developed based on the MRSC_GA algorithm. The algorithm utilizes MRSC_GA for planning paths for mobile robots, piano-mover problems, and N-link manipulators. The MRSC_GA is used for generating multipaths to provide alternative solutions to the path-planning problem. The generation of alternative solutions is especially important for planning paths in dynamic environments. A novel iterative multiresolution path representation is used as a basis for the GA coding. The effectiveness of the algorithm is demonstrated on a number of two-dimensional path-planning problems.
Yang, Zhi; Liu, Shaoding; Liu, Xuguang; Yang, Yongzhen; Li, Xiuyan; Xiong, Shijie; Xu, Bingshe
2012-11-07
Using density functional theory and the non-equilibrium Green's function technique, we performed theoretical investigations on the magnetic and quantum transport properties of benzene-vanadium-borazine mixed organic/inorganic ligand sandwich clusters. The calculated results show that these finite sandwich clusters coupled to Ni electrodes exhibit novel quantum transport properties such as half-metallicity, negative differential resistance and spin-reversal effect, and can be viewed as a new kind of spin filter. However, for the infinite molecular wire, the ground state was identified as a ferromagnetic semiconductor with high stability. These findings suggest that the mixed organic/inorganic ligand sandwich clusters and molecular wires are promising materials for application in molecular electronics and spintronics.
Quantum-Mechanical Study of Small Au2Pdn (n = 1～4) Clusters
Institute of Scientific and Technical Information of China (English)
GUO Jian-Jun; YANG Ji-Xian; DIE Dong
2006-01-01
Gold-doped palladium clusters, Au2Pdn (n = 1～4), are investigated using the density functional method B3LYP with relativistic effective core potentials (RECP) and LANL2DZ basis set. The possible geometrical configurations with their electronic states are determined, and the stability trend is investigated. Several low-lying isomers are determined, and many of them are in electronic configurations with a high-spin multiplicity. Our results indicate that the palladium-gold interaction is strong enough to modify the known pattern of bare palladium clusters, and the lower stability as the structures grow in size. The present calculations are useful to understanding the enhanced catalytic activity and selectivity gained by using gold-doped palladium catalyst.
Quantum size effects in TiO2 thin films grown by atomic layer deposition.
Tallarida, Massimo; Das, Chittaranjan; Schmeisser, Dieter
2014-01-01
We study the atomic layer deposition of TiO2 by means of X-ray absorption spectroscopy. The Ti precursor, titanium isopropoxide, was used in combination with H2O on Si/SiO2 substrates that were heated at 200 °C. The low growth rate (0.15 Å/cycle) and the in situ characterization permitted to follow changes in the electronic structure of TiO2 in the sub-nanometer range, which are influenced by quantum size effects. The modified electronic properties may play an important role in charge carrier transport and separation, and increase the efficiency of energy conversion systems.
Quantum size effects in TiO2 thin films grown by atomic layer deposition
Tallarida, Massimo; Das, Chittaranjan; Schmeisser, Dieter
2014-01-01
We study the atomic layer deposition of TiO2 by means of X-ray absorption spectroscopy. The Ti precursor, titanium isopropoxide, was used in combination with H2O on Si/SiO2 substrates that were heated at 200 °C. The low growth rate (0.15 Å/cycle) and the in situ characterization permitted to follow changes in the electronic structure of TiO2 in the sub-nanometer range, which are influenced by quantum size effects. The modified electronic properties may play an important role in charge carrier...
Fabrication of CuCl quantum dots and the size dependence of the biexciton binding energy
Park, S T; Kim, H Y; Kim, I G
2000-01-01
We fabricated CuCl quantum dots (QDs) in an aluminoborosilicate glass matrix. The photoluminescence of the CuCl QDs was surveyed by using the band-to-band excitation and the site selective luminescence methods. The excitation density dependence of the exciton and the biexciton luminescence was measured, and the saturation effects of the luminescence intensities were observed. The biexciton binding energies measured using the site selective luminescence method increased with decreasing QD size. The data were well fitted by a function resulting from the numerical matrix-diagonalization method.
Zhang, Haiying; Lin, Yonggui; Xiao, Fangxiong
2016-10-01
The series problem of infrared small target detection in heavy clutter is a challenging work in active vision. During different imaging environments the size and gray intensity of target will keep changing which lead to unstable detection. Focus on mining more robust feature of small targets and following the sequential detection framework, we propose a novel research scheme based on density-based clustering and backtracking strategy in this paper. First, point of interest is extracted by the speeded up robust feature (SURF) detector for its better performance in digging features invariant to uniform scaling, orientation and illumination changes. Second, due to the local aggregation property of target trajectory in space, a new proposed density-based clustering method is introduced to segment the target trajectory, so that the target detection problem is transformed into the extract the target trajectory. Then, In order to keep the integral and independence of the trace as much as possible, two factors: percent and are exploited to help deciding the clustering granularity. Later, the backtracking strategy is adopted to search for the target trajectory with pruning function on the basis of the consistence and continuity of the short-time target trajectory in temporal-spatial. Extended experiments show the validity of our method. Compared with the data association methods executed on the huge candidate trajectory space, the time-consuming is reduced obviously. Additional, the feature detection is more stable for the use of SURF and the false alarm suppression rate is superior to most baseline and state-of-arts methods.
One- and two-particle correlation functions in the dynamical quantum cluster approach
Energy Technology Data Exchange (ETDEWEB)
Hochkeppel, Stephan
2008-07-25
This thesis is dedicated to a theoretical study of the 1-band Hubbard model in the strong coupling limit. The investigation is based on the Dynamical Cluster Approximation (DCA) which systematically restores non-local corrections to the Dynamical Mean Field approximation (DMFA). The DCA is formulated in momentum space and is characterised by a patching of the Brillouin zone where momentum conservation is only recovered between two patches. The approximation works well if k-space correlation functions show a weak momentum dependence. In order to study the temperature and doping dependence of the spin- and charge excitation spectra, we explicitly extend the Dynamical Cluster Approximation to two-particle response functions. The full irreducible two-particle vertex with three momenta and frequencies is approximated by an effective vertex dependent on the momentum and frequency of the spin and/or charge excitations. The effective vertex is calculated by using the Quantum Monte Carlo method on the finite cluster whereas the analytical continuation of dynamical quantities is performed by a stochastic version of the maximum entropy method. A comparison with high temperature auxiliary field quantum Monte Carlo data serves as a benchmark for our approach to two-particle correlation functions. Our method can reproduce basic characteristics of the spin- and charge excitation spectrum. Near and beyond optimal doping, our results provide a consistent overall picture of the interplay between charge, spin and single-particle excitations: a collective spin mode emerges at optimal doping and sufficiently low temperatures in the spin response spectrum and exhibits the energy scale of the magnetic exchange interaction J. Simultaneously, the low energy single-particle excitations are characterised by a coherent quasiparticle with bandwidth J. The origin of the quasiparticle can be quite well understood in a picture of a more or less antiferromagnetic ordered background in which holes
Uhlmann, Markus
2016-01-01
We have performed interface-resolved direct numerical simulations of forced homogeneous-isotropic turbulence in a dilute suspension of spherical particles in the Reynolds number range Re-lambda=115-140. The solid-fluid density ratio was set to 1.5, gravity was set to zero, and two particle diameters were investigated corresponding to approximately 5 and 11 Kolmogorov lengths. Note that these particle sizes are clearly outside the range of validity of the point-particle approximation, as has been shown by Homann & Bec (2010). At the present parameter points the global effect of the particles upon the fluid flow is weak. We observe that the dispersed phase exhibits clustering with moderate intensity. The tendency to cluster, which was quantified in terms of the standard deviation of Voronoi cell volumes, decreases with the particle diameter. We have analyzed the relation between particle locations and the location of intense vortical flow structures. The results do not reveal any significant statistical cor...
Forty-Seven Milky Way-Sized, Extremely Diffuse Galaxies in the Coma Cluster
van Dokkum, Pieter; Merritt, Allison; Zhang, Jielai; Geha, Marla; Conroy, Charlie
2014-01-01
We report the discovery of 47 low surface brightness objects in deep images of a 3 x 3 degree field centered on the Coma cluster, obtained with the Dragonfly Telephoto Array. The objects have central surface brightness mu(g,0) ranging from 24 - 26 mag/arcsec^2 and effective radii r_e = 3"-10", as measured from archival Canada France Hawaii Telescope images. From their spatial distribution we infer that most or all of the objects are galaxies in the Coma cluster. This relatively large distance is surprising as it implies that the galaxies are very large: with r_e = 1.5 - 4.6 kpc their sizes are similar to those of L* galaxies even though their median stellar mass is only ~6 x 10^7 Solar masses. The galaxies are relatively red and round, with = 0.8 and = 0.74. One of the 47 galaxies is fortuitously covered by a deep Hubble Space Telescope ACS observation. The ACS imaging shows a large spheroidal object with a central surface brightness mu(g,0) = 25.8 mag/arcsec^2, a Sersic index n=0.6, and an effective radius...
Finite size effects on the phase diagram of the thermodynamical cluster model
Mallik, S; Chaudhuri, G
2016-01-01
The thermodynamical cluster model is known to present a first-order liquid-gas phase transition in the idealized case of an uncharged, infinitely extended medium. However, in most practical applications of this model, the system is finite and charged. In this paper we study how the phase diagram is modified by finite size and Coulomb effects. We show that the thermodynamic anomalies which are associated to the finite system counterpart of first order phase transitions, are correctly reproduced by this effective model. However, approximations in the calculation of the grandcanonical partition sum prevent obtaining the exact mapping between statistical ensembles which should be associated to finite systems. The ensemble inequivalence associated to the transition persists in the presence of Coulomb, but the phase diagram is deeply modified with respect to the simple liquid-gas phase transition characteristic of the neutral system.
The role of fcc tetrahedral subunits in the phase behavior of medium sized Lennard-Jones clusters.
Saika-Voivod, Ivan; Poon, Louis; Bowles, Richard K
2010-08-21
The free energy of a 600-atom Lennard-Jones cluster is calculated as a function of surface and bulk crystallinity in order to study the structural transformations that occur in the core of medium sized clusters. Within the order parameter range studied, we find the existence of two free energy minima at temperatures near freezing. One minimum, at low values of both bulk and surface order, belongs to the liquid phase. The second minimum exhibits a highly ordered core with a disordered surface and is related to structures containing a single fcc-tetrahedral subunit, with an edge length of seven atoms (l=7), located in the particle core. At lower temperatures, a third minimum appears at intermediate values of the bulk order parameter which is shown to be related to the formation of multiple l=6 tetrahedra in the core of the cluster. We also use molecular dynamics simulations to follow a series of nucleation events and find that the clusters freeze to structures containing l=5, 6, 7, and 8 sized tetrahedra as well as those containing no tetrahedral units. The structural correlations between bulk and surface order with the size of the tetrahedral units in the cluster core are examined. Finally, the relationships between the formation of fcc tetrahedral subunits in the core, the phase behavior of medium sized clusters and the nucleation of noncrystalline global structures such as icosahedra and decahedra are discussed.
NeCamp, Timothy; Kilbourne, Amy; Almirall, Daniel
2017-08-01
Cluster-level dynamic treatment regimens can be used to guide sequential treatment decision-making at the cluster level in order to improve outcomes at the individual or patient-level. In a cluster-level dynamic treatment regimen, the treatment is potentially adapted and re-adapted over time based on changes in the cluster that could be impacted by prior intervention, including aggregate measures of the individuals or patients that compose it. Cluster-randomized sequential multiple assignment randomized trials can be used to answer multiple open questions preventing scientists from developing high-quality cluster-level dynamic treatment regimens. In a cluster-randomized sequential multiple assignment randomized trial, sequential randomizations occur at the cluster level and outcomes are observed at the individual level. This manuscript makes two contributions to the design and analysis of cluster-randomized sequential multiple assignment randomized trials. First, a weighted least squares regression approach is proposed for comparing the mean of a patient-level outcome between the cluster-level dynamic treatment regimens embedded in a sequential multiple assignment randomized trial. The regression approach facilitates the use of baseline covariates which is often critical in the analysis of cluster-level trials. Second, sample size calculators are derived for two common cluster-randomized sequential multiple assignment randomized trial designs for use when the primary aim is a between-dynamic treatment regimen comparison of the mean of a continuous patient-level outcome. The methods are motivated by the Adaptive Implementation of Effective Programs Trial which is, to our knowledge, the first-ever cluster-randomized sequential multiple assignment randomized trial in psychiatry.
Wang, Gong; Yang, Caimei; Zhang, Kuan; Hu, Juan; Pang, Wensheng
2015-07-07
The multi-component system of traditional Chinese medicine (TCM) is very complicated. The clusters are dynamic aggregates whose molecules are held together by hydrogen-bonded, Van der Waals forces or the opposite charges of particles attract each other. In this paper, field emission scanning electron microscopy proved that molecules form clusters in Pueraria thomsonii Benth (Fenge) water decoction. Four kinds of Fenge water decoction, 0.07 g∙mL-1 (F-1), 0.1 g∙mL-1 (F-2), 0.17 g∙mL-1 (F-3), 0.35 g∙mL-1 (F-4); F-1, average diameter of molecular was about 120 nm; F-2, 195 nm; F-3, 256 nm; and F-4, 480 nm. The molecular size was shown to depend on concentration. Rabbits were given equal does of 2.8 g∙kg-1, to perfuse F-1, F-2, F-3, F-4 in volume of 80 mL, 56 mL, 33 mL, 17 mL, respectively. At 0-180 min to collect 2 mL blood from the rabbit ears middle arteries for metabolism fingerprints, the results show the particle size of molecular is smaller, the absorption of drugs is better instead. The acute blood stasis model rats were treatment with Fenge decoction of 1.5 g∙kg-1 for 14 days, the concentrations of Ang II in plasma were significantly lower in F-1 and F-2 groups than those in model group (p 0.05). Despite the molecular aggregation is a common physical phenomenon, it influence on the kind and amount of molecule per unit volume. Molecules morphology influence on the absorption behavior of drugs in vivo therefore is to have an impact on pharmacological function.
The effects of the cluster environment on the galaxy mass-size relation in MACS J1206.2-0847
Kuchner, U.; Ziegler, B.; Verdugo, M.; Bamford, S.; Häußler, B.
2017-08-01
The dense environment of galaxy clusters strongly influences the nature of galaxies. Their abundance and diversity is imprinted on the stellar-mass-size plane. Here, we study the cause of the size distribution of a sample of 560 spectroscopic members spanning a wide dynamical range down to 108.5M⊙ (log (M)-2) in the massive CLASH cluster MACSJ1206.2-0847 at z = 0.44. We use Subaru SuprimeCam imaging covering the highest-density core out to the infall regions (3 virial radii) to look for cluster-specific effects on a global scale. We also compare our measurements to a compatible large field study in order to span extreme environmental densities. This paper presents the trends we identified for cluster galaxies divided by their colors into star forming and quiescent galaxies and into distinct morphological types (using Sérsic index and bulge/disk decompositions). We observed larger sizes for early-type galaxies and smaller sizes for massive late-type galaxies in clusters in comparison to the field. We attribute this to longer quenching timescales of more massive galaxies in the cluster. Our analysis further revealed an increasing importance of recently quenched transition objects ("red disks"), where the correspondence between galaxy morphology and color is out of sync. This is a virialized population with sizes similar to the quiescent, spheroid-dominated population of the cluster center, but with disks still in-tact, and found at higher cluster-centric radii. The mass-size relation of cluster galaxies may therefore be understood as the consequence of a mix of progenitors formed at different quenching epochs. We also investigate the stellar-mass-size relation as a representation of galaxy sizes smoothly decreasing as a function of bulge fraction. We find that at an identical bulge-to-total ratio and identical stellar mass, quiescent galaxies are smaller than star forming galaxies. This is likely because of a fading of the outskirts of the disk, which we saw in
Lenz, Annika; Ojamäe, Lars
2005-05-07
Quantum-chemical calculations of a variety of water clusters with eight, ten and twelve molecules were performed, as well as for selected clusters with up to 22 water molecules. Geometry optimizations were carried out at the B3LYP/cc-pVDZ level and single-point energies were calculated at the B3LYP/aug-cc-pVDZ level for selected clusters. The electronic energies were studied with respect to the geometry of the oxygen arrangement and six different characteristics of the hydrogen-bond arrangement in the cluster. Especially the effect of the placement of the non-hydrogen bonding hydrogens on the interaction energy was studied. Models for the interaction energy with respect to different characteristics of the hydrogen-bond arrangement were derived through least-square fits. The results from the study of the clusters with eight, ten and twelve molecules are used to predict possible low-energy structures for various shapes of clusters with up to 22 molecules.
Boosting the accuracy and speed of quantum Monte Carlo: size-consistency and time-step
Zen, Andrea; Gillan, Michael J; Michaelides, Angelos; Alfè, Dario
2016-01-01
Diffusion Monte Carlo (DMC) simulations for fermions are becoming the standard to provide high quality reference data in systems that are too large to be investigated via quantum chemical approaches. DMC with the fixed-node approximation relies on modifications of the Green function to avoid singularities near the nodal surface of the trial wavefunction. We show that these modifications affect the DMC energies in a way that is not size-consistent, resulting in large time-step errors. Building on the modifications of Umrigar {\\em et al.} and of DePasquale {\\em et al.} we propose a simple Green function modification that restores size-consistency to large values of time-step; substantially reducing the time-step errors. The new algorithm also yields remarkable speedups of up to two orders of magnitude in the calculation of molecule-molecule binding energies and crystal cohesive energies, thus extending the horizons of what is possible with DMC.
Entanglement of a two-atom system driven by the quantum vacuum in arbitrary cavity size
Energy Technology Data Exchange (ETDEWEB)
Flores-Hidalgo, G., E-mail: gfloreshidalgo@unifei.edu.br [Instituto de Física e Química, Universidade Federal de Itajubá, 37500-903, Itajubá, MG (Brazil); Rojas, M., E-mail: moises.leyva@dfi.ufla.br [Departamento de Física, Universidade Federal de Lavras, CP 3037, 37200-000, Lavras, MG (Brazil); Rojas, Onofre, E-mail: ors@dfi.ufla.br [Departamento de Física, Universidade Federal de Lavras, CP 3037, 37200-000, Lavras, MG (Brazil)
2017-05-10
We study the entanglement dynamics of two distinguishable atoms confined into a cavity and interacting with a quantum vacuum field. As a simplified model for this system, we consider two harmonic oscillators linearly coupled to a massless scalar field which are inside a spherical cavity of radius R. Through the concurrence, the entanglement dynamics for the two-atom system is discussed for a range of initial states composed of a superposition of atomic states. Our results reveal how the entanglement of the two atoms behaves through the time evolution, in a precise way, for arbitrary cavity size and for arbitrary coupling constant. All our computations are analytical and only the final step is numerical. - Highlights: • Entanglement time evolution in arbitrary cavity size is considered. • In free space concurrence approaches a fixed value at large time. • For finite cavity, concurrence behaves almost as a periodic function of time.
Directory of Open Access Journals (Sweden)
Anju K. Augustine
2014-01-01
Full Text Available We present third-order optical nonlinear absorption in CdSe quantum dots (QDs with particle sizes in the range of 4.16–5.25 nm which has been evaluated by the Z-scan technique. At an excitation irradiance of 0.54 GW/cm2 the CdSe QDs exhibit reverse saturation indicating a clear nonlinear behavior. Nonlinearity increases with particle size in CdSe QDs within the range of our investigations which in turn depends on the optical band gap. The optical limiting threshold of the QDs varies from 0.35 GW/cm2 to 0.57 GW/cm2 which makes CdSe QDs a promising candidate for reverse-saturable absorption based devices at high laser intensities such as optical limiters.
Size and temperature effects on electric properties of CdTe/ZnTe quantum rings
Institute of Scientific and Technical Information of China (English)
Woo-Pyo Hong; Seoung-Hwan Park
2011-01-01
The electronic properties of CdTe/ZnTe quantum rings (QRs) are investigated as functions of size and temperature using an eight-band strain-dependent k-p Hamiltonian. The size effects of diameter and height on the strain distributions around the QRs are studied. We find that the interband transition energy,defined as the energy difference between the ground electronic and the ground heavy-hole subbands,increases with the increasing QR inner diameter regardless of the temperature,while the interband energy decreases with the increasing QR height. This is attributed to the reduction of subband energies in both the conduction and the valence bands due to the strain effects. Our model,in the framework of the finite element method and the theory of elasticity of solids,shows a good agreement with the temperature-dependent photoluminescence measurement of the interband transition energies.
Size dependence of electron spin dephasing in InGaAs quantum dots
Energy Technology Data Exchange (ETDEWEB)
Huang, Y. Q.; Puttisong, Y.; Buyanova, I. A.; Chen, W. M. [Department of Physics, Chemistry and Biology, Linköping University, S-581 83 Linköping (Sweden); Yang, X. J.; Subagyo, A.; Sueoka, K.; Murayama, A. [Graduate School of Information Science and Technology, Hokkaido University, Kita 14, Nishi 9, Kita-ku, Sapporo 060-0814 (Japan)
2015-03-02
We investigate ensemble electron spin dephasing in self-assembled InGaAs/GaAs quantum dots (QDs) of different lateral sizes by employing optical Hanle measurements. Using low excitation power, we are able to obtain a spin dephasing time T{sub 2}{sup *} (in the order of ns) of the resident electron after recombination of negative trions in the QDs. We show that T{sub 2}{sup *} is determined by the hyperfine field arising from the frozen fluctuation of nuclear spins, which scales with the size of QDs following the Merkulov-Efros-Rosen model. This scaling no longer holds in large QDs, most likely due to a breakdown in the lateral electron confinement.
Quantum Size Effects in Transport Properties of Bi2Te3 Topological Insulator Thin Films
Rogacheva, E. I.; Budnik, A. V.; Nashchekina, O. N.; Meriuts, A. V.; Dresselhaus, M. S.
2017-07-01
Bi2Te3 compound and Bi2Te3-based solid solutions have attracted much attention as promising thermoelectric materials for refrigerating devices. The possibility of enhancing the thermoelectric efficiency in low-dimensional structures has stimulated studies of Bi2Te3 thin films. Now, interest in studying the transport properties of Bi2Te3 has grown sharply due to the observation of special properties characteristic of three-dimensional (3D) topological insulators in Bi2Te3. One of the possible manifestations of quantum size effects in two-dimensional structures is an oscillatory behavior of the dependences of transport properties on film thickness, d. The goal of this work is to summarize our earlier experimental results on the d-dependences of transport properties of Bi2Te3 thin films obtained by thermal evaporation in a vacuum on glass substrates, and to present our new results of theoretical calculations of the oscillations periods within the framework of the model of an infinitely deep potential well, which takes into account the dependence of the Fermi energy on d and the contribution of all energy subbands below the Fermi level to the conductivity. On the basis of the data obtained, some general regularities and specificity of the quantum size effects manifestation in 3D topological insulators are established.
Size dependent magnetic and optical properties in diamond shaped graphene quantum dots: A DFT study
Das, Ritwika; Dhar, Namrata; Bandyopadhyay, Arka; Jana, Debnarayan
2016-12-01
The magnetic and optical properties of diamond shaped graphene quantum dots (DSGQDs) have been investigated by varying their sizes with the help of density functional theory (DFT). The study of density of states (DOS) has revealed that the Fermi energy decreases with increase in sizes (number of carbon atoms). The intermediate structure with 30 carbon atoms shows the highest magnetic moment (8 μB, μB being the Bohr magneton). The shifting of optical transitions to higher energy in smallest DSGQD (16 carbon atoms) bears the signature of stronger quantum confinement. However, for the largest structure (48 carbon atoms) multiple broad peaks appear in case of parallel polarization and in this case electron energy loss spectra (EELS) peak (in the energy range 0-5 eV) is sharp in nature (compared to high energy peak). This may be attributed to π plasmon and the broad peak (in the range 10-16 eV) corresponds to π + σ plasmon. A detail calculation of the Raman spectra has indicated some prominent mode of vibrations which can be used to characterize these structures (with hydrogen terminated dangling bonds). We think that these theoretical observations can be utilized for novel device designs involving DSGQDs.
Czechowski, Zbigniew
2015-07-01
On the basis of simple cellular automaton, the microscopic mechanisms, which can be responsible for elongation of tails of cluster size distributions, were analyzed. It was shown that only the appropriate forms of rebound function can lead to inverse power tails if densities of the grid are small or moderate. For big densities, correlations between clusters become significant and lead to elongation of tails and flattening of the distribution to a straight line in log-log scale. The microscopic mechanism, given by the rebound function, included in simple 1D RDA can be projected on the geometric mechanism, which favours larger clusters in 2D RDA.
Cluster formation, evolution and size distribution in Fe-Cu alloy: Analysis by XAFS, XRD and TEM
Energy Technology Data Exchange (ETDEWEB)
Cammelli, S., E-mail: sebastiano.cammelli@psi.c [LNM, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Fachbereich C - Physik, Bergische Universitaet Wuppertal, Gauss-Str. 20, 42097 Wuppertal (Germany); Degueldre, C. [LNM, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Cervellino, A. [SLS, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Abolhassani, S.; Kuri, G.; Bertsch, J. [LNM, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Luetzenkirchen-Hecht, D.; Frahm, R. [Fachbereich C - Physik, Bergische Universitaet Wuppertal, Gauss-Str. 20, 42097 Wuppertal (Germany)
2010-03-15
Fe-Cu alloys containing 1.3 at.% copper were studied as model systems for cluster formation in reactor pressure vessel steels. The samples were annealed at 775 K for different times and subsequently analyzed using X-ray absorption fine structure spectroscopy at the Cu-K-edge, X-ray diffraction and transmission electron microscopy. The results show that copper cluster formation might occur even with short annealing times. These clusters of about 1 nm size can switch easily from bcc iron-like structures to fcc copper, if the local copper concentration is high enough. While a short annealing time of 2.5 h at 775 K maintains a good dilution of copper in the bcc iron matrix, annealing for 312 h leads to large fcc copper precipitates. A linear combination analysis suggests that in the sample annealed 8 h, copper clusters are mostly formed with the same structure as the matrix. A co-existence of bcc and fcc clusters is obtained for 115 h of annealing. Transmission electron microscopy indicates the presence of precipitates as large as 60 nm size for an annealing time of 312 h, and X-ray diffraction provided complementary data about the clusters size distributions in all of the four samples.
Lipatova, Zh. O.; Kolobkova, E. V.; Sidorov, A. I.; Nikonorov, N. V.
2016-08-01
The influence of sodium nanoparticles and secondary heat treatment conditions on the spectralluminescent characteristics of fluorophosphate glasses with PbSe molecular clusters and quantum dots is studied. Experiments with glasses containing no sodium nanoparticles show that their thermal treatment leads to the formation of molecular clusters with subsequent formation of quantum dots having an intense luminescence. The results of numerical simulation for glasses with sodium nanoparticles shows that heat treatment leads to formation of a sodium fluoride shell on the nanoparticles surface. It is shown that quenching of the luminescence of PbSe molecular clusters and quantum dots takes place in these glasses.
Breakdown of the Hume-Rothery Rules in Sub-Nanometer-Sized Ta-Containing Bimetallic Small Clusters
Miyajima, Ken; Fukushima, Naoya; Himeno, Hidenori; Yamada, Akira; Mafuné, Fumitaka
2009-11-01
The Hume-Rothery rules are empirical rules to predict the solid solubility of metals. We examined whether the rules hold for sub-nanometer-sized small particles. We prepared bimetallic cluster ions in the gas phase by a double laser ablation technique. Taking advantage of the magic compositions of the bimetallic cluster ions relating to the distinguished stabilities, the coalescence or the segregation of Ta and another element in the sub-nanometer-sized clusters was discussed. It was found that W, Nb, and Mo readily coalesce with Ta, while Ag, Al, Au, Co, Cu, Fe, Hf, Ni, Pt, Ti, and V are segregated from Ta. On the basis of these results, we concluded that the Hume-Rothery rules do not hold for sub-nanometer-sized particles.
Lu, Jun; Cheng, Lei; Lau, Kah Chun; Tyo, Eric; Luo, Xiangyi; Wen, Jianguo; Miller, Dean; Assary, Rajeev S; Wang, Hsien-Hau; Redfern, Paul; Wu, Huiming; Park, Jin-Bum; Sun, Yang-Kook; Vajda, Stefan; Amine, Khalil; Curtiss, Larry A
2014-09-12
Lithium-oxygen batteries have the potential needed for long-range electric vehicles, but the charge and discharge chemistries are complex and not well understood. The active sites on cathode surfaces and their role in electrochemical reactions in aprotic lithium-oxygen cells are difficult to ascertain because the exact nature of the sites is unknown. Here we report the deposition of subnanometre silver clusters of exact size and number of atoms on passivated carbon to study the discharge process in lithium-oxygen cells. The results reveal dramatically different morphologies of the electrochemically grown lithium peroxide dependent on the size of the clusters. This dependence is found to be due to the influence of the cluster size on the formation mechanism, which also affects the charge process. The results of this study suggest that precise control of subnanometre surface structure on cathodes can be used as a means to improve the performance of lithium-oxygen cells.
Kikuchi, Hideaki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Iyetomi, Hiroshi; Ogata, Shuji; Kouno, Takahisa; Shimojo, Fuyuki; Tsuruta, Kanji; Saini, Subhash; Biegel, Bryan (Technical Monitor)
2002-01-01
A multidisciplinary, collaborative simulation has been performed on a Grid of geographically distributed PC clusters. The multiscale simulation approach seamlessly combines i) atomistic simulation backed on the molecular dynamics (MD) method and ii) quantum mechanical (QM) calculation based on the density functional theory (DFT), so that accurate but less scalable computations are performed only where they are needed. The multiscale MD/QM simulation code has been Grid-enabled using i) a modular, additive hybridization scheme, ii) multiple QM clustering, and iii) computation/communication overlapping. The Gridified MD/QM simulation code has been used to study environmental effects of water molecules on fracture in silicon. A preliminary run of the code has achieved a parallel efficiency of 94% on 25 PCs distributed over 3 PC clusters in the US and Japan, and a larger test involving 154 processors on 5 distributed PC clusters is in progress.
Size-dependent optical properties and carriers dynamics in CdSe/ZnS quantum dots
Institute of Scientific and Technical Information of China (English)
Ma Guo-Hong; Wang Wen-Jun; Gao Xue-Xi; Ma Hong-Liang
2008-01-01
Size-dependence of optical properties and energy relaxation in CdSe/ZnS quantum dots (QDs) were investigated by two-colour femtosecond (fs) pump-probe (400/800 nm) and picosecond time-resolved photoluminescence (ps TRPL)experiments. Pump-probe measurement results show that there are two components for the excited carriers relaxation,the fast one with a time constant of several ps arises from the Auger-type recombination, which shows almost particle sizeindependence. The slow relaxation component with a time constant of several decades of ns can be clearly determined with ps TRPL spectroscopy in which the slow relaxation process shows strong particle size-dependence. The decay time constants increase from 21 to 34ns with the decrease of particle size from 3.2 to 2.1 nm. The room-temperature decay lifetime is due to the thermal mixing of bright and dark excitons, and the size-dependence of slow relaxation process can be explained very well in terms of simple three-level model.
Curran, J. C.; Tan, L.
2011-12-01
In gravel bed rivers, low flows generate shear stresses less than what is needed to entrain the largest particles but large enough to transport the fines. During sustained low flows, fine sediment winnows from the bed surface and an armored surface layer forms. As the surface armor forms, a surface structure develops that increases bed roughness and flow resistance and can be characterized by the presence of clusters. Individual clusters are known to exert a significant influence over the spatial and temporal flow processes acting in the vicinity of the bed. A series of flume experiments investigated the turbulent structures formed around clusters naturally developed during bed armoring. The series of experiments created armored beds using four different flow rates and four different bulk grain size distributions which progressively increased in the percent sand in the bed sediment. Following an initial run segment that established equilibrium sediment transport and full bed mobility, the flow rate in the flume was reduced and the bed surface fully armored. Once armored, clusters were identified using a combination of bed DEM, vertical profile, and visual analysis. Instantaneous three-dimensional flow velocities were measured around the clusters using an Acoustic Doppler Velocimeter, and these values were used to calculate Reynolds shear stresses, turbulence intensities, and turbulent kinetic energy in the flow field. Results show a significant change in the flow profiles over a cluster when compared to an open area of the armored bed. Reynolds shear stresses doubled over the cluster and turbulence intensity reached a peak value right above the single cluster. The results also suggest the effects of the single cluster on the surrounding flow dynamics are quite localized and limited to 30cm in lateral orientation. Quadrant analysis showing large ejection and sweep events around clusters indicates vortex formation at the cluster crest. The magnitude of the coherent
Directory of Open Access Journals (Sweden)
A. B. Nadykto
2009-06-01
Full Text Available The quantum-chemical treatment of pre-nucleation clusters consisting of atmospheric nucleation precursors is critically important for the understanding of the molecular nature of atmospheric nucleation. In the present study, the influence of ammonia on the thermochemical stability of positively charged pre-nucleation clusters has been studied using the Density Functional Theory (DFT. The formation of binary (NH_{4}^{+}(H_{2}O_{n} and ternary (NH_{4}^{+}(H_{2}SO_{4}(H_{2}O_{n} ionic clusters and the conversion of (H_{3}O^{+}(H_{2}O_{n−1} into (NH_{4}^{+}(H_{2}O_{n} and (H_{3}O^{+} (H_{2}SO_{4}(H_{2}O_{n−1} into (NH_{4}^{+}(H_{2}SO_{4}(H_{2}O_{n} have been investigated. The thermochemical analysis carried out in the present study shows both (H_{3}O^{+}(H_{2}O_{n−1}→(NH_{4}^{+} (H_{2}O_{n} and (H_{2}SO_{4}(H_{3}O^{+}(H_{2}O_{n−1}→(NH_{4}^{+}(H_{2}SO_{4} (H_{2}O_{n} transformations to be favorable thermodynamically and gives us a clear indication of the important role of ammonia in the conversion of positively charged clusters containing hydronium (H_{3}O^{+} into those containing protonated ammonia. Under typical continental boundary layer condition, a large fraction of small positive ions may contain ammonia, but most of neutral and negative hydrated sulfuric acid monomers do not contain ammonia. In term of absolute concentrations, around 1000 cm^{−3} out of 10^{7} cm^{−3} of sulfuric acid momoners contain ammonia. (NH_{4 }
Li, Zhiguo; Sui, Jiehe; Li, Xiaoli; Cai, Wei
2011-03-15
Quantum-sized CdS nanorods were synthesized by direct thermal decomposition of a single-source precursor in a monosurfactant system. The CdS nanorods were uniform, had high crystallinity, and exhibited strong quantum confinement effect. The nanorod growth was controlled by an oriented attachment mechanism, and the morphology was determined by the competition between dipole attraction and steric repulsion of nanodots. Increasing precursor concentration and prolonging reaction time were favorable for the formation of CdS nanorods.
Kumar, Indrajit; Priyam, Amiya; Choubey, Ravi Kant
2013-06-01
Supersaturation controlled synthesis of thioglycollic acid (TGA) capped CdTe quantum dots in aqueous medium has been carried out. With a four-fold increase in the degree of supersaturation, the photoluminescence quantum efficiency of the nanoparticles was enhanced more than five times to a remarkably high value of 46%. This was accompanied by concomitant narrowing of the size distribution of the QDs. The simplified approach obviates the need for post-preparative treatments to improve the particle characteristics.
Kurtén, T.; Torpo, L.; Sundberg, M. R.; Kerminen, V.-M.; H. Vehkamäki; Kulmala, M.
2007-01-01
We study the ammonia addition reactions of H2SO4·NH3 molecular clusters containing up to four ammonia and two sulfuric acid molecules using the ab initio method RI-MP2 (Resolution of Identity 2nd order Møller-Plesset perturbation theory). Together with results from previous studies, we use the computed values to estimate an upper limit for the ammonia content of small atmospheric clusters, without having to explicitly include water molecules in the quantum chemical si...
Directory of Open Access Journals (Sweden)
Gong Wang
2015-07-01
Full Text Available The multi-component system of traditional Chinese medicine (TCM is very complicated. The clusters are dynamic aggregates whose molecules are held together by hydrogen-bonded, Van der Waals forces or the opposite charges of particles attract each other. In this paper, field emission scanning electron microscopy proved that molecules form clusters in Pueraria thomsonii Benth (Fenge water decoction. Four kinds of Fenge water decoction, 0.07 g∙mL−1 (F-1, 0.1 g∙mL−1 (F-2, 0.17 g∙mL−1 (F-3, 0.35 g∙mL−1 (F-4; F-1, average diameter of molecular was about 120 nm; F-2, 195 nm; F-3, 256 nm; and F-4, 480 nm. The molecular size was shown to depend on concentration. Rabbits were given equal does of 2.8 g∙kg−1, to perfuse F-1, F-2, F-3, F-4 in volume of 80 mL, 56 mL, 33 mL, 17 mL, respectively. At 0–180 min to collect 2 mL blood from the rabbit ears middle arteries for metabolism fingerprints, the results show the particle size of molecular is smaller, the absorption of drugs is better instead. The acute blood stasis model rats were treatment with Fenge decoction of 1.5 g∙kg−1 for 14 days, the concentrations of Ang II in plasma were significantly lower in F-1 and F-2 groups than those in model group (p < 0.01 or p < 0.05, but there were no significantly difference in F-3 and F-4 groups than those in model group (p > 0.05. Despite the molecular aggregation is a common physical phenomenon, it influence on the kind and amount of molecule per unit volume. Molecules morphology influence on the absorption behavior of drugs in vivo therefore is to have an impact on pharmacological function.
Ushakova, Elena V; Litvin, Aleksandr P; Parfenov, Peter S; Fedorov, Anatoly V; Artemyev, Mikhail; Prudnikau, Anatoly V; Rukhlenko, Ivan D; Baranov, Alexander V
2012-10-23
We report on an anomalous size dependence of the room-temperature photoluminescence decay time from the lowest-energy state of PbS quantum dots in colloidal solution, which was found using the transient luminescence spectroscopy. The observed 10-fold reduction in the decay time (from ~2.5 to 0.25 μs) with the increase in the quantum dots' diameter is explained by the existence of phonon-induced transitions between the in-gap state-whose energy drastically depends on the diameter-and the fundamental state of the quantum dots.
Directory of Open Access Journals (Sweden)
Manvir S. Kushwaha
2014-12-01
Full Text Available Semiconducting quantum dots – more fancifully dubbed artificial atoms – are quasi-zero dimensional, tiny, man-made systems with charge carriers completely confined in all three dimensions. The scientific quest behind the synthesis of quantum dots is to create and control future electronic and optical nanostructures engineered through tailoring size, shape, and composition. The complete confinement – or the lack of any degree of freedom for the electrons (and/or holes – in quantum dots limits the exploration of spatially localized elementary excitations such as plasmons to direct rather than reciprocal space. Here we embark on a thorough investigation of the magneto-optical absorption in semiconducting spherical quantum dots characterized by a confining harmonic potential and an applied magnetic field in the symmetric gauge. This is done within the framework of Bohm-Pines’ random-phase approximation that enables us to derive and discuss the full Dyson equation that takes proper account of the Coulomb interactions. As an application of our theoretical strategy, we compute various single-particle and many-particle phenomena such as the Fock-Darwin spectrum; Fermi energy; magneto-optical transitions; probability distribution; and the magneto-optical absorption in the quantum dots. It is observed that the role of an applied magnetic field on the absorption spectrum is comparable to that of a confining potential. Increasing (decreasing the strength of the magnetic field or the confining potential is found to be analogous to shrinking (expanding the size of the quantum dots: resulting into a blue (red shift in the absorption spectrum. The Fermi energy diminishes with both increasing magnetic-field and dot-size; and exhibits saw-tooth-like oscillations at large values of field or dot-size. Unlike laterally confined quantum dots, both (upper and lower magneto-optical transitions survive even in the extreme instances. However, the intra
Energy Technology Data Exchange (ETDEWEB)
Kushwaha, Manvir S. [Department of Physics and Astronomy, Rice University, P.O. Box 1892, Houston, TX 77251 (United States)
2014-12-15
Semiconducting quantum dots – more fancifully dubbed artificial atoms – are quasi-zero dimensional, tiny, man-made systems with charge carriers completely confined in all three dimensions. The scientific quest behind the synthesis of quantum dots is to create and control future electronic and optical nanostructures engineered through tailoring size, shape, and composition. The complete confinement – or the lack of any degree of freedom for the electrons (and/or holes) – in quantum dots limits the exploration of spatially localized elementary excitations such as plasmons to direct rather than reciprocal space. Here we embark on a thorough investigation of the magneto-optical absorption in semiconducting spherical quantum dots characterized by a confining harmonic potential and an applied magnetic field in the symmetric gauge. This is done within the framework of Bohm-Pines’ random-phase approximation that enables us to derive and discuss the full Dyson equation that takes proper account of the Coulomb interactions. As an application of our theoretical strategy, we compute various single-particle and many-particle phenomena such as the Fock-Darwin spectrum; Fermi energy; magneto-optical transitions; probability distribution; and the magneto-optical absorption in the quantum dots. It is observed that the role of an applied magnetic field on the absorption spectrum is comparable to that of a confining potential. Increasing (decreasing) the strength of the magnetic field or the confining potential is found to be analogous to shrinking (expanding) the size of the quantum dots: resulting into a blue (red) shift in the absorption spectrum. The Fermi energy diminishes with both increasing magnetic-field and dot-size; and exhibits saw-tooth-like oscillations at large values of field or dot-size. Unlike laterally confined quantum dots, both (upper and lower) magneto-optical transitions survive even in the extreme instances. However, the intra-Landau level
Directory of Open Access Journals (Sweden)
Jérôme Grimplet
2017-04-01
Full Text Available Grapevine cluster compactness has a clear impact on fruit quality and health status, as clusters with greater compactness are more susceptible to pests and diseases and ripen more asynchronously. Different parameters related to inflorescence and cluster architecture (length, width, branching, etc., fruitfulness (number of berries, number of seeds and berry size (length, width contribute to the final level of compactness. From a collection of 501 clones of cultivar Garnacha Tinta, two compact and two loose clones with stable differences for cluster compactness-related traits were selected and phenotyped. Key organs and developmental stages were selected for sampling and transcriptomic analyses. Comparison of global gene expression patterns in flowers at the end of bloom allowed identification of potential gene networks with a role in determining the final berry number, berry size and ultimately cluster compactness. A large portion of the differentially expressed genes were found in networks related to cell division (carbohydrates uptake, cell wall metabolism, cell cycle, nucleic acids metabolism, cell division, DNA repair. Their greater expression level in flowers of compact clones indicated that the number of berries and the berry size at ripening appear related to the rate of cell replication in flowers during the early growth stages after pollination. In addition, fluctuations in auxin and gibberellin signaling and transport related gene expression support that they play a central role in fruit set and impact berry number and size. Other hormones, such as ethylene and jasmonate may differentially regulate indirect effects, such as defense mechanisms activation or polyphenols production. This is the first transcriptomic based analysis focused on the discovery of the underlying gene networks involved in grapevine traits of grapevine cluster compactness, berry number and berry size.
Energy Technology Data Exchange (ETDEWEB)
Zhao Shifeng, E-mail: shfzhao@sina.co [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing, 210093 (China); Department of Physics, Tonghua Teachers College, Tonghua, 134002 (China); Wan Jianguo; Huang Chuanfu; Song Fengqi; Yao Changhong; Han Min; Wang Guanghou [National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing, 210093 (China)
2010-04-02
The giant magnetostrictive Tb-Fe films assembled by nanoparticles have been prepared by the low energy cluster beam deposition. The dependence of the magnetostriction on the size of the nanoparticles is examined for the films. It is shown that the nanofilms have obtained higher saturation magnetostriction at the cluster size of 30 nm in average. The dependence of magnetostriction on particle size is ascribed to the degree of magnetic anisotropy which is related to the effective distance of exchange coupling between the adjacent Tb-Fe nanoparticles. This work demonstrates that the magnetostriction can be varied by tuning the particle size, which is important for control over the magnetostrictive properties of the films at nanoscale.
Quantum Private Comparison of Equality Based on Five-Particle Cluster State
Chang, Yan; Zhang, Wen-Bo; Zhang, Shi-Bin; Wang, Hai-Chun; Yan, Li-Li; Han, Gui-Hua; Sheng, Zhi-Wei; Huang, Yuan-Yuan; Suo, Wang; Xiong, Jin-Xin
2016-12-01
A protocol for quantum private comparison of equality (QPCE) is proposed based on five-particle cluster state with the help of a semi-honest third party (TP). In our protocol, TP is allowed to misbehave on its own but can not conspire with either of two parties. Compared with most two-user QPCE protocols, our protocol not only can compare two groups of private information (each group has two users) in one execution, but also compare just two private information. Compared with the multi-user QPCE protocol proposed, our protocol is safer with more reasonable assumptions of TP. The qubit efficiency is computed and analyzed. Our protocol can also be generalized to the case of 2N participants with one TP. The 2N-participant protocol can compare two groups (each group has N private information) in one execution or just N private information. Supported by NSFC under Grant Nos. 61402058, 61572086, the Fund for Middle and Young Academic Leaders of CUIT under Grant No. J201511, the Science and Technology Support Project of Sichuan Province of China under Grant No. 2013GZX0137, the Fund for Young Persons Project of Sichuan Province of China under Grant No. 12ZB017, and the Foundation of Cyberspace Security Key Laboratory of Sichuan Higher Education Institutions under Grant No. szjj2014-074
The Contribution of Halos with Different Mass Ratios to the Overall Growth of Cluster-Sized Halos
Lemze, Doron; Genel, Shy; Ford, Holland C; Balestra, Italo; Donahue, Megan; Kelson, Daniel; Nonino, Mario; Mercurio, Amata; Biviano, Andrea; Rosati, Piero; Umetsu, Keiichi; Sand, David; Koekemoer, Anton; Meneghetti, Massimo; Melchior, Peter; Newman, Andrew B; Bhatti, Waqas A; Voit, G Mark; Medezinski, Elinor; Zitrin, Adi; Zheng, Wei; Broadhurst, Tom; Bartelmann, Matthias; Benitez, Narciso; Bouwens, Rychard; Bradley, Larry; Coe, Dan; Graves, Genevieve; Grillo, Claudio; Infante, Leopoldo; Jimenez-Teja, Yolanda; Jouvel, Stephanie; Lahav, Ofer; Maoz, Dan; Merten, Julian; Molino, Alberto; Moustakas, John; Moustakas, Leonidas; Ogaz, Sara; Scodeggio, Marco; Seitz, Stella
2013-01-01
We provide a new observational test for a key prediction of the \\Lambda CDM cosmological model: the contributions of mergers with different halo-to-main-cluster mass ratios to cluster-sized halo growth. We perform this test by dynamically analyzing seven galaxy clusters, spanning the redshift range $0.13 < z_c < 0.45$ and caustic mass range $0.4-1.5$ $10^{15} h_{0.73}^{-1}$ M$_{\\odot}$, with an average of 293 spectroscopically-confirmed bound galaxies to each cluster. The large radial coverage (a few virial radii), which covers the whole infall region, with a high number of spectroscopically identified galaxies enables this new study. For each cluster, we identify bound galaxies. Out of these galaxies, we identify infalling and accreted halos and estimate their masses and their dynamical states. Using the estimated masses, we derive the contribution of different mass ratios to cluster-sized halo growth. For mass ratios between ~0.2 and ~0.7, we find a ~1 $\\sigma$ agreement with \\Lambda CDM expectations ...
The effect of tin sulfide quantum dots size on photocatalytic and photovoltaic performance
Energy Technology Data Exchange (ETDEWEB)
Cheraghizade, Mohsen [Young Researchers and Elite Club, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Jamali-Sheini, Farid, E-mail: faridjamali@iauahvaz.ac.ir [Advanced Surface Engineering and Nano Materials Research Center, Department of Physics, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Yousefi, Ramin [Department of Physics, Masjed-Soleiman Branch, Islamic Azad University (I.A.U), Masjed-Soleiman (Iran, Islamic Republic of); Niknia, Farhad [Young Researchers and Elite Club, Ahvaz Branch, Islamic Azad University, Ahvaz (Iran, Islamic Republic of); Mahmoudian, Mohammad Reza [Department of Chemistry, Shahid Sherafat, University of Farhangian, 15916, Tehran (Iran, Islamic Republic of); Sookhakian, Mehran [Centre for Ionic Liquids, Department of Chemistry, Faculty of Science, University of Malaya, Kuala Lumpur 50603 (Malaysia)
2017-07-01
In the current study, tin sulfide Quantum Dots (QDs) was successfully synthesized through sonochemical synthesis method by applying sonication times of 10, 15, and 20 min. Structural studies showed an orthorhombic phase of SnS and Sn{sub 2}S{sub 3}, and hexagonal phase of SnS{sub 2}. The particle size of tin sulfide QDs prepared through sonication time of 20 min was smaller than other QDs. According to TEM images, an increase in sonication time resulted in smaller spherical shaped particles. According to the results of Raman studies, five Raman bands and a shift towards the lower frequencies were observed by enhancing the sonication time. Based on the outcomes of photocatalytic activity, higher this property was observed for tin sulfide QDs, which are prepared through longer sonication time. Solar cell devices manufactured using tin sulfide QDs have a greater performance for the samples with more sonication time. Considering the obtained outcomes, the sonication time seems probable to be a factor affecting synthesis process of SnS QDs as well as its optical and electrical, photocatalytic, and photovoltaic conversion features. - Highlights: • Tin sulfide quantum dots (QDs) synthesized using a sonication method. • The sonication time was selected as a synthesis parameter. • The photocatalytic and photovoltaic performance were depended on synthesis parameter.
The cluster size transformation model of molten alloy under pulse electric field
Institute of Scientific and Technical Information of China (English)
ZHANG ZhenBin; WANG JianZhong; QI JinGang; WANG Bing; HE LiJia; CANG DaQiang
2008-01-01
Based on the electric dipole theory,the coupled field distribution of pulse electric field (PEF) with electric dipole field around the cluster in superheated molten alloy is simulated under the effect of PEF. For the difference of electro-migration,the atom of solute and solution will accumulate around the cluster,and then the smaller cluster may reorganize and grow up under the action of the coupled field.We also apply the electrostatic induction theory to analyze the bearing behavior of the half side of the cluster. The bigger the cluster is,the stronger the electrostatic force is,therefore,the bigger cluster's stability is weak apparently. The study indicates that the cluster in the superheated molten has the homogeneous tendency under the effect of PEF.
Rondelli, Manuel
2017-05-10
The use of physicochemical preparation techniques of metal clusters in the ultrahigh vacuum (UHV) allows for high control of cluster nuclearity and size distribution for fundamental studies in catalysis. Surprisingly, the potential of these systems as catalysts for organic chemistry transformations in solution has not been explored. To this end, single Pt atoms and Pt clusters with two narrow size distributions were prepared in the UHV and applied for the hydrogenation of p-chloronitrobenzene to p-chloroaniline in ethanol. Following the observation of very high catalytic turnovers (approaching the million molecules of p-nitroaniline formed per Pt cluster) and of size-dependent activity, this work addresses fundamental questions with respect to the suitability of these systems as heterogeneous catalysts for the conversion of solution-phase reagents. For this purpose, we employ scanning transmission electron microscopy (STEM) and X-ray photoelectron spectroscopy (XPS) characterization before and after reaction to assess the stability of the clusters on the support and the question of heterogeneity versus homogeneity in the catalytic process.
Understanding and enhancing superconductivity in FeSe/SrTiO3 by quantum size effects
Murta, Bruno; García-García, Antonio M.
2016-11-01
Superconductivity in one-atom-layer iron selenide (FeSe) on a strontium titanate (STO) substrate is enhanced by almost an order of magnitude with respect to bulk FeSe. There is recent experimental evidence suggesting that this enhancement persists in FeSe/STO nanoislands. More specifically, for sizes L ˜10 nm, the superconducting gap is a highly nonmonotonic function of L with peaks well above the bulk gap value. This is the expected behavior only for weakly-coupled metallic superconductors such as Al or Sn. Here we develop a theoretical formalism to describe these experiments based on three ingredients: Eliashberg theory of superconductivity in the weak coupling limit, pairing dominated by forward scattering, and periodic orbit theory to model spectral fluctuations. We obtain an explicit analytical expression for the size dependence of the gap that describes quantitatively the experimental results with no free parameters. This is a strong suggestion that superconductivity in FeSe/STO is mediated by STO phonons. We propose that, since FeSe/STO is still a weakly coupled superconductor, quantum size effects can be used to further enhance the bulk critical temperature in this interface.
Liu, Xi-Jing; Hu, Bing-Quan; Cho, Sam Young; Zhou, Huan-Qiang; Shi, Qian-Qian
2016-10-01
Recently, the finite-size corrections to the geometrical entanglement per lattice site in the spin-1/2 chain have been numerically shown to scale inversely with system size, and its prefactor b has been suggested to be possibly universal [Q-Q. Shi et al., New J. Phys. 12, 025008 (2010)]. As possible evidence of its universality, the numerical values of the prefactors have been confirmed analytically by using the Affleck-Ludwig boundary entropy with a Neumann boundary condition for a free compactified field [J-M. Stephan et al., Phys. Rev. B 82, 180406(R) (2010)]. However, the Affleck-Ludwig boundary entropy is not unique and does depend on conformally invariant boundary conditions. Here, we show that a unique Affleck-Ludwig boundary entropy corresponding to a finitesize correction to the geometrical entanglement per lattice site exists and show that the ratio of the prefactor b to the corresponding minimum groundstate degeneracy gmin for the Affleck- Ludwig boundary entropy is a constant for any critical region of the spin-1 XXZ system with the single-ion anisotropy, i.e., b/(2 log2 g min ) = -1. Previously studied spin-1/2 systems, including the quantum three-state Potts model, have verified the universal ratio. Hence, the inverse finite-size correction to the geometrical entanglement per lattice site and its prefactor b are universal for one-dimensional critical systems.
Ion-pair dissociation of highly excited carbon clusters: Size and charge effects
Launoy, Thibaut; Béroff, Karine; Chabot, Marin; Martinet, Guillaume; Le Padellec, Arnaud; Pino, Thomas; Bouneau, Sandra; Vaeck, Nathalie; Liévin, Jacques; Féraud, Géraldine; Loreau, Jérôme; Mahajan, Thejus
2017-02-01
We present measurements of ion-pair dissociation (IPD) of highly excited neutral and ionized carbon clusters Cn=2 -5 (q =0 -3 )+. The tool for producing these species was a high-velocity collision between Cn+ projectiles (v =2.25 a.u.) and helium atoms. The setup allowed us to detect in coincidence anionic and cationic fragments, event by event, leading to a direct and unambiguous identification of the IPD process. Compared with dissociation without anion emission, we found typical 10-4 IPD rates, not depending much on the size and charge of the (n ,q ) species. Exceptions were observed for C2+ and, to a lesser extent, C43 + whose IPDs were notably lower. We tentatively interpret IPDs of C2+ and C3+ by using a statistical approach based on the counting of final states allowed by energetic criteria. The model is able to furnish the right order of magnitude for the experimental IPD rates and to provide a qualitative explanation of the lower IPD rate observed in C2+.
Fabrication of large size alginate beads for three-dimensional cell-cluster culture
Zhang, Zhengtao; Ruan, Meilin; Liu, Hongni; Cao, Yiping; He, Rongxiang
2017-08-01
We fabricated large size alginate beads using a simple microfluidic device under a co-axial injection regime. This device was made by PDMS casting with a mold formed by small diameter metal and polytetrafluorothylene tubes. Droplets of 2% sodium alginate were generated in soybean oil through the device and then cross-linked in a 2% CaCl2 solution, which was mixed tween80 with at a concentration of 0.4 to 40% (w/v). Our results showed that the morphology of the produced alginate beads strongly depends on the tween80 concentration. With the increase of concentration of tween80, the shape of the alginate beads varied from semi-spherical to tailed-spherical, due to the decrease of interface tension between oil and cross-link solution. To access the biocompatibility of the approach, MCF-7 cells were cultured with the alginate beads, showing the formation of cancer cells clusters which might be useful for future studies.
Quantum size effects in TiO2 thin films grown by atomic layer deposition
Directory of Open Access Journals (Sweden)
Massimo Tallarida
2014-01-01
Full Text Available We study the atomic layer deposition of TiO2 by means of X-ray absorption spectroscopy. The Ti precursor, titanium isopropoxide, was used in combination with H2O on Si/SiO2 substrates that were heated at 200 °C. The low growth rate (0.15 Å/cycle and the in situ characterization permitted to follow changes in the electronic structure of TiO2 in the sub-nanometer range, which are influenced by quantum size effects. The modified electronic properties may play an important role in charge carrier transport and separation, and increase the efficiency of energy conversion systems.
The role of ligand density and size in mediating quantum dot nuclear transport.
Tang, Peter S; Sathiamoorthy, Sarmitha; Lustig, Lindsay C; Ponzielli, Romina; Inamoto, Ichiro; Penn, Linda Z; Shin, Jumi A; Chan, Warren C W
2014-10-29
Studying the effects of the physicochemical properties of nanomaterials on cellular uptake, toxicity, and exocytosis can provide the foundation for designing safer and more effective nanoparticles for clinical applications. However, an understanding of the effects of these properties on subcellular transport, accumulation, and distribution remains limited. The present study investigates the effects of surface density and particle size of semiconductor quantum dots on cellular uptake as well as nuclear transport kinetics, retention, and accumulation. The current work illustrates that cellular uptake and nuclear accumulation of nanoparticles depend on surface density of the nuclear localization signal (NLS) peptides with nuclear transport reaching a plateau at 20% surface NLS density in as little as 30 min. These intracellular nanoparticles have no effects on cell viability up to 72 h post treatment. These findings will set a foundation for engineering more sophisticated nanoparticle systems for imaging and manipulating genetic targets in the nucleus.
Size Effect of a Negatively Charged Exciton in a Two-Dimensional Quantum Dot
Institute of Scientific and Technical Information of China (English)
LIU Chao; XIE Wen-Fang
2009-01-01
In this paper we study a negatively charged exciton (NCE), which is trapped by a two-dimensional (2D) parabolic potential.By using matrix diagonalization techniques, the correlation energies of the low-lying states with L = O, 1, and 2 are calculated as a function of confinement strength.We find that the size effects of different states are different.This phenomenon can be explained as a hidden symmetry, which is originated purely from symmetry.Based on symmetry, the features of the low-lying states are discussed in the influence of the 2D parabolic potential well.It is found that the confinement may cause accidental degeneracies between levels with different low-excited states.It is shown that the effect of quantum confinement on the binding energy of the heavy hole is stronger than that of a light hole.
Institute of Scientific and Technical Information of China (English)
POPEL; P; S; KONSTANTINOVA; N; Yu
2010-01-01
The method of crucible rotating oscillation damping was employed to measure the kinematic viscosity of aluminum melt,and the curve of viscosity v versus temperature T from 935 to 1383 K was obtained.Besides,based on the calculation model of the evolution behavior of atomic clusters in liquid structure,the curve of atomic clusters size d versus temperature was obtained,and the calculated results are in good agreement with the experimental values.By analyzing experimental data,it was found that both the viscosity and the size of atomic clusters of aluminum melt are monodrome functions of temperature,and the relation between v(T) and d(T) is a linear function,i.e.,v = v 0 + K·d(T).This relation indirectly verifies the calculation model of the structural information of metal melt,which is of great significance for studying the relation between melt microstructure and macro-physical properties.
Wang, Y. W.; Kim, J. S.; Kim, G. H.; Kim, Kwang S.
2006-04-01
Quantum size effects in volume plasmon excitation of bismuth nanoparticles with diameters ranging from 5to500nm have been studied by electron energy loss spectroscopy. The Bi nanoparticles were prepared by reducing Bi3+ with sodium borohydride in the presence of poly(vinylpyrroldone). The volume plasmon energy and its peak width increase with decreasing nanoparticle diameter, due to the quantum size effect. For the particles with diameter less than 40nm, the increase of the volume plasmon energy is proportional to the inverse square of the nanoparticle diameter, confirming the semimetal to semiconductor transition in Bi nanoparticles.
2007-08-10
The Final Report Title: Specific approach for size-control III-V based quantum/nano LED fabrication for prospective white ...COVERED 14-06-2005 to 14-12-2005 4. TITLE AND SUBTITLE Size controlled GaN based quantum dot LED for the prospective white light source 5a. CONTRACT...structure LED The physical model of the PC LED for optical simulation is shown in Figure 10. The LED are composed with p-type GaN/ MQW of InGaN /GaN/ n
Polak, W
2008-03-01
Liquid Lennard-Jones clusters of 14 different sizes from N=55-923 atoms were cooled down in Monte Carlo simulations (40 runs for each size) to the reduced temperature T* = 0.05 . Structural analysis and visualization were applied for classification of the internal structure of all 560 final clusters. Small clusters revealed the presence of the multishell icosahedra or regular polyicosahedra. In larger clusters, beginning from N=309 , the noncrystalline atom ordering is often replaced by the formation of defected crystalline clusters in the form of layered face-centered cubic-hexagonal close-packed (fcc-hcp) clusters or defected layered clusters with some additional nonparallel hcp overlayers. The presence of regular polyicosahedral clusters, relatively numerous even at the largest analyzed sizes, is attributed to kinetic effects in structure formation.
The cluster size transformation model of molten alloy under pulse electric field
Institute of Scientific and Technical Information of China (English)
2008-01-01
Based on the electric dipole theory, the coupled field distribution of pulse electric field (PEF) with electric dipole field around the cluster in superheated molten alloy is simulated under the effect of PEF. For the difference of electro-migration, the atom of solute and solution will accumulate around the cluster, and then the smaller cluster may reorganize and grow up under the action of the coupled field. We also apply the electrostatic induction theory to analyze the bearing behavior of the half side of the cluster. The bigger the cluster is, the stronger the electrostatic force is, therefore, the bigger cluster’s stability is weak apparently. The study indi- cates that the cluster in the superheated molten has the homogeneous tendency under the effect of PEF.
Stability and Clustering for Lattice Many-Body Quantum Hamiltonians with Multiparticle Potentials
Faria da Veiga, Paulo A.; O'Carroll, Michael
2015-11-01
We analyze a quantum system of N identical spinless particles of mass m, in the lattice Z^d, given by a Hamiltonian H_N=T_N+V_N, with kinetic energy T_N≥ 0 and potential V_N=V_{N,2}+V_{N,3} composed of attractive pair and repulsive 3-body contact-potentials. This Hamiltonian is motivated by the desire to understand the stability of quantum field theories, with massive single particles and bound states in the energy-momentum spectrum, in terms of an approximate Hamiltonian for their N-particle sector. We determine the role of the potentials V_{N,2} and V_{N,3} on the physical stability of the system, such as to avoid a collapse of the N particles. Mathematically speaking, stability is associated with an N-linear lower bound for the infimum of the H_N spectrum, \\underline{σ }(H_N)≥ -cN, for c>0 independent of N. For V_{N,3}=0, H_N is unstable, and the system collapses. If V_{N,3}not =0, H_N is stable and, for strong enough repulsion, we obtain \\underline{σ }(H_N)≥ -c' N, where c'N is the energy of ( N/2) isolated bound pairs. This result is physically expected. A much less trivial result is that, as N varies, we show [ \\underline{σ }(V_N)/N ] has qualitatively the same behavior as the well-known curve for minus the nuclear binding energy per nucleon. Moreover, it turns out that there exists a saturation value N_s of N at and above which the system presents a clustering: the N particles distributed in two fragments and, besides lattice translations of particle positions, there is an energy degeneracy of all two fragments with particle numbers N_r and N_s-N_r, with N_r=1,ldots ,N_s-1.
Cluster-size entropy in the Axelrod model of social influence: small-world networks and mass media.
Gandica, Y; Charmell, A; Villegas-Febres, J; Bonalde, I
2011-10-01
We study the Axelrod's cultural adaptation model using the concept of cluster-size entropy S(c), which gives information on the variability of the cultural cluster size present in the system. Using networks of different topologies, from regular to random, we find that the critical point of the well-known nonequilibrium monocultural-multicultural (order-disorder) transition of the Axelrod model is given by the maximum of the S(c)(q) distributions. The width of the cluster entropy distributions can be used to qualitatively determine whether the transition is first or second order. By scaling the cluster entropy distributions we were able to obtain a relationship between the critical cultural trait q(c) and the number F of cultural features in two-dimensional regular networks. We also analyze the effect of the mass media (external field) on social systems within the Axelrod model in a square network. We find a partially ordered phase whose largest cultural cluster is not aligned with the external field, in contrast with a recent suggestion that this type of phase cannot be formed in regular networks. We draw a q-B phase diagram for the Axelrod model in regular networks.
Cluster size entropy in the Axelrod model of social influence: small-world networks and mass media
Gandica, Yérali; Villegas-Febres, J; Bonalde, I
2011-01-01
We study the Axelrod's cultural adaptation model using the concept of cluster size entropy, $S_{c}$ that gives information on the variability of the cultural cluster size present in the system. Using networks of different topologies, from regular to random, we find that the critical point of the well-known nonequilibrium monocultural-multicultural (order-disorder) transition of the Axelrod model is unambiguously given by the maximum of the $S_{c}(q)$ distributions. The width of the cluster entropy distributions can be used to qualitatively determine whether the transition is first- or second-order. By scaling the cluster entropy distributions we were able to obtain a relationship between the critical cultural trait $q_c$ and the number $F$ of cultural features in regular networks. We also analyze the effect of the mass media (external field) on social systems within the Axelrod model in a square network. We find a new partially ordered phase whose largest cultural cluster is not aligned with the external fiel...
Quantum-sized gold nanoclusters: bridging the gap between organometallics and nanocrystals.
Jin, Rongchao; Zhu, Yan; Qian, Huifeng
2011-06-06
This Concept article provides an elementary discussion of a special class of large-sized gold compounds, so-called Au nanoclusters, which lies in between traditional organogold compounds (e.g., few-atom complexes, 2 nm). The discussion is focused on the relationship between them, including the evolution from the Au⋅⋅⋅Au aurophilic interaction in Au(I) complexes to the direct Au-Au bond in clusters, and the structural transformation from the fcc structure in nanocrystals to non-fcc structures in nanoclusters. Thiolate-protected Au(n)(SR)(m) nanoclusters are used as a paradigm system. Research on such nanoclusters has achieved considerable advances in recent years and is expected to flourish in the near future, which will bring about exciting progress in both fundamental scientific research and technological applications of nanoclusters of gold and other metals.
Pop, P.C.; Kern, Walter; Still, Georg J.
2001-01-01
Given a complete undirected graph with the nodes partitioned into m node sets called clusters, the Generalized Minimum Spanning Tree problem denoted by GMST is to find a minimum-cost tree which includes exactly one node from each cluster. It is known that the GMST problem is NP-hard and even finding
Homo-FRET Imaging Enables Quantification of Protein Cluster Sizes with Subcellular Resolution
Bader, A.N.; Hofman, E.G.; Voortman, J.; Henegouwen, P.; Gerritsen, H.C.
2009-01-01
Fluorescence-anisotropy-based homo-FRET detection methods can be employed to study clustering of identical proteins in cells. Here, the potential of fluorescence anisotropy microscopy for the quantitative imaging of protein clusters with subcellular resolution is investigated. Steady-state and
Effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system
Energy Technology Data Exchange (ETDEWEB)
Ripan, G. H., E-mail: gregoryhr@gmail.com [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Faculty of Applied Science & Foundation Studies, Infrastructure University Kuala Lumpur, 43000 Kajang, Selangor (Malaysia); Woon, C. Y.; Gopir, G. [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)
2015-09-25
The effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system was studied. A comparison was made between two InAs quantum pyramids of different sizes embedded inside a cubic GaAs susbtrate material. Strain relaxation was carried out via the Metropolis Monte Carlo method and the calculated local strain tensors were then included to solve the energy values and the wave functions of the electronic states inside the two simulation cube. The 3D finite difference scheme was employed to solve the time independent Schrödinger equation based on the decoupled electron-hole model. Calculated energy values of the four lowest electronic states showed that the transitions between the electron and hole states widen as the size of the dot becomes smaller especially between the ground states. The confinement of electrons and holes become weaker as the size of the dot reduces.
Effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system
Ripan, G. H.; Woon, C. Y.; Gopir, G.
2015-09-01
The effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system was studied. A comparison was made between two InAs quantum pyramids of different sizes embedded inside a cubic GaAs susbtrate material. Strain relaxation was carried out via the Metropolis Monte Carlo method and the calculated local strain tensors were then included to solve the energy values and the wave functions of the electronic states inside the two simulation cube. The 3D finite difference scheme was employed to solve the time independent Schrödinger equation based on the decoupled electron-hole model. Calculated energy values of the four lowest electronic states showed that the transitions between the electron and hole states widen as the size of the dot becomes smaller especially between the ground states. The confinement of electrons and holes become weaker as the size of the dot reduces.
Kambe, Tetsuya; Imaoka, Takane; Yamamoto, Kimihisa
2016-11-07
Controlled reducing capsules with a specific number of reducing electrons were achieved by appropriately placed BH3 units in the dendritic polyphenylazomethines (DPAs). Using the 1:1 coordination fashion on their basic branches with radius affinity gradient, the 4th generation DPA (DPAG4) possessing four BH3 units in the central positions was prepared as a template synthesizer for size-controlled ultra-small metal clusters. This was well-demonstrated by reduction of Ag, Pt, and other metal ions resulting in monodispersed ultra-small clusters.
Revisiting the Valence and Conduction Band Size Dependence of PbS Quantum Dot Thin Films
Energy Technology Data Exchange (ETDEWEB)
Miller, Elisa M.; Kroupa, Daniel M.; Zhang, Jianbing; Schulz, Philip; Marshall, Ashley R.; Kahn, Antoine; Lany, Stephan; Luther, Joseph M.; Beard, Matthew C.; Perkins, Craig L.; van de Lagemaat, Jao
2016-03-22
We use a high signal-to-noise X-ray photoelectron spectrum of bulk PbS, GW calculations, and a model assuming parabolic bands to unravel the various X-ray and ultraviolet photoelectron spectral features of bulk PbS as well as determine how to best analyze the valence band region of PbS quantum dot (QD) films. X-ray and ultraviolet photoelectron spectroscopy (XPS and UPS) are commonly used to probe the difference between the Fermi level and valence band maximum (VBM) for crystalline and thin-film semiconductors. However, we find that when the standard XPS/UPS analysis is used for PbS, the results are often unrealistic due to the low density of states at the VBM. Instead, a parabolic band model is used to determine the VBM for the PbS QD films, which is based on the bulk PbS experimental spectrum and bulk GW calculations. Our analysis highlights the breakdown of the Brillioun zone representation of the band diagram for large band gap, highly quantum confined PbS QDs. We have also determined that in 1,2-ethanedithiol-treated PbS QD films the Fermi level position is dependent on the QD size; specifically, the smallest band gap QD films have the Fermi level near the conduction band minimum and the Fermi level moves away from the conduction band for larger band gap PbS QD films. This change in the Fermi level within the QD band gap could be due to changes in the Pb:S ratio. In addition, we use inverse photoelectron spectroscopy to measure the conduction band region, which has similar challenges in the analysis of PbS QD films due to a low density of states near the conduction band minimum.
Acute toxicity of quantum dots on late pregnancy mice: Effects of nanoscale size and surface coating
Energy Technology Data Exchange (ETDEWEB)
Zhang, Wanyi [State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047 (China); The Second Affiliated Hospital of Nanchang University, Nanchang 330000 (China); Yang, Lin; Kuang, Huijuan; Yang, Pengfei [State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047 (China); Aguilar, Zoraida P.; Wang, Andrew [Ocean NanoTech, LLC, Springdale, AR72764 (United States); Fu, Fen, E-mail: fu_fen@163.com [The Second Affiliated Hospital of Nanchang University, Nanchang 330000 (China); Xu, Hengyi, E-mail: kidyxu@163.com [State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047 (China)
2016-11-15
Graphical abstract: In spite of the immense benefits from quantum dots (QDs), there is scanty information regarding their toxicity mechanisms against late pregnancy. - Highlights: • QDs and CdCl{sub 2} were effectively blocked by the placental barrier. • CdSe QDs more effectively altered the expression levels of susceptive genes. • Nanoscale size of QDs is more important than free Cd in inducing toxicity. • Outer surface shell coating of QDs played a protective role. - Abstract: In this study, the effects of cadmium containing QDs (such as CdSe/ZnS and CdSe QDs) and bulk CdCl{sub 2} in pregnant mice, their fetuses, and the pregnancy outcomes were investigated. It was shown that although the QDs and bulk CdCl{sub 2} were effectively blocked by the placental barrier, the damage on the placenta caused by CdSe QDs still led to fetus malformation, while the mice in CdSe/ZnS QDs treatment group exhibited slightly hampered growth but showed no significant abnormalities. Moreover, the Cd contents in the placenta and the uterus of CdSe QDs and CdSe/ZnS QDs treatment groups showed significantly higher than the CdCl{sub 2} treated group which indicated that the nanoscale size of the QDs allowed relative ease of entry into the gestation tissues. In addition, the CdSe QDs more effectively altered the expression levels of susceptive genes related to cell apoptosis, dysplasia, metal transport, cryptorrhea, and oxidative stress, etc. These findings suggested that the nanoscale size of the QDs were probably more important than the free Cd in inducing toxicity. Furthermore, the results indicated that the outer surface shell coating played a protective role in the adverse effects of QDs on late pregnancy mice.
Wang, Farrah Qiuyun; Khairallah, George N.; O'Hair, Richard A. J.
2009-06-01
Previous studies have demonstrated that the silver hydride cluster cation Ag4H+ promotes CC bond coupling of allylbromide [G.N. Khairallah, R.A.J. O'Hair, Angewandte Chemie International Edition 44 (2005) 728]. Here the influence of both the nature and the size of the silver cluster cation and the substrate on CC bond coupling are examined. Thus each of the cations Ag2H+, Ag4H+, Ag3+, and Ag5+ were allowed to react with three different halides: allyl chloride, allyl bromide and allyl iodide. No CC bond coupling is observed in the reactions of the cluster cations with allyl chloride. There are four main reaction sequences that result in CC bond coupling for allyl bromide and allyl iodide mediated by Agn+ and Agn-1H+ clusters: (i) A sequence involving the reactions of silver cluster cations with two molecules of C3H5X: Agn+ --> Agn(C3H5X)+ --> AgnX2+. This only occurs in the cases of: n = 3 and X = I; n = 5 and X = Br. (ii) A sequence involving the reactions of silver cluster cations with two molecules of C3H5X via an organometallic intermediate: Agn+ --> Agn-1(C3H5)+ --> Agn-1X+. This only occurs in the cases of: n = 5 and X = Br and I. (iii) A sequence involving the reactions of silver hydride cluster cations with three molecules of C3H5X: Agn-1H+ --> Agn-1X+ --> Agn-1X(C3H5X)+ --> Ag(C3H5)2+ and Agn-1X3+. This only occurs in the cases of: n = 5 and X = Br and I. (iv) A sequence involving the reactions of silver hydride cluster cations with three molecules of C3H5X via an organometallic intermediate: Agn-1H+ --> Agn-1X+ --> Agn-3(C3H5)+ --> Ag(C3H5)2+ and Agn-3X+. This only occurs in the cases of: n = 5 and X = I.
Dependence of fractal dimension of DLCA clusters on size of primary particles.
Wu, Hua; Lattuada, Marco; Morbidelli, Massimo
2013-07-01
It is well known that clusters generated from colloidal aggregation driven by Brownian motion are typical fractal objects with the fractal dimension in the range of 1.75-1.85 under the diffusion-limited cluster aggregation (DLCA) conditions. In this work, we review and analyze the values of the fractal dimension for DLCA clusters experimentally determined in the literature. It is found that the value of the fractal dimension decreases significantly as the primary particle radius increases. Then, we have properly designed the DLCA experiments, using different radii of the primary particles, and determined the fractal dimensions of the generated clusters. Our results have well confirmed that the fractal dimension indeed decreases as the particle radius increases. To explore the mechanism leading to such dependence, we have performed intense computations through the full T-Matrix theory, and we conclude that this is not related to the effect of the intra-cluster multiple scattering on the slope of the scattering structure factor. The large fractal dimensions of the clusters generated by very small nanoparticles could be explained by thermal restructuring due to their low bonding energies, but no clear explanation can be given for the small fractal dimensions of the clusters made of large particles.
Zhao, Zhe; Li, Yonggang; Zhang, Chuanguo; Pan, Guyue; Tang, Panfei; Zeng, Zhi
2017-08-01
Reducing ion retention in materials is a key factor in the management of tritium inventory, the selection of compatible plasma-facing materials (PFMs), and thus the future development of fusion reactors. In this work, by introducing the cellular sink strength of grain boundaries (GBs) into the cluster dynamics model, the behavior of hydrogen (H) and helium (He) retention in W with different grain sizes is studied under various irradiation conditions systematically. It is found that the H/He retention increases dramatically with decreasing grain size at typical service temperatures, due to the enhancement of H/He capture ratio by GBs. Generally, He retention exists in three forms: He in GBs, in dislocations and in clusters (He m V n , He n and He n I). Our further study shows that, under the irradiation of low energy and low fluence ions, the contribution of He in clusters is negligible. The total He retention is thus dominated by the competing absorption of GBs and dislocations, that is, changing from the dislocation-based to grain boundary-based retention with decreasing grain size. H retention also presents the same behavior. In view of these grain size-related behaviors of H/He retention in W, it is suggested that coarse-grained crystals should be selected for W-based PFMs in practice.
Directory of Open Access Journals (Sweden)
M. Kulmala
2007-02-01
Full Text Available We study the ammonia addition reactions of H2SO4·NH3 molecular clusters containing up to four ammonia and two sulfuric acid molecules using the ab initio method RI-MP2 (Resolution of Identity 2nd order Møller-Plesset perturbation theory. Together with results from previous studies, we use the computed values to estimate an upper limit for the ammonia content of small atmospheric clusters, without having to explicitly include water molecules in the quantum chemical simulations. Our results indicate that the NH3:H2SO4 mole ratio of small molecular clusters in typical atmospheric conditions is probably around 1:2. High ammonia concentrations or low temperatures may lead to the formation of ammonium bisulfate (1:1 clusters, but our results rule out the formation of ammonium sulfate clusters (2:1 anywhere in the atmosphere. A sensitivity analysis indicates that the qualitative conclusions of this study are not affected even by relatively large errors in the calculation of electronic energies or vibrational frequencies.
Kurtén, T.; Torpo, L.; Sundberg, M. R.; Kerminen, V.-M.; Vehkamäki, H.; Kulmala, M.
2007-05-01
We study the ammonia addition reactions of H2SO4·NH3 molecular clusters containing up to four ammonia and two sulfuric acid molecules using the ab initio method RI-MP2 (Resolution of Identity 2nd order Møller-Plesset perturbation theory). Together with results from previous studies, we use the computed values to estimate an upper limit for the ammonia content of small atmospheric clusters, without having to explicitly include water molecules in the quantum chemical simulations. Our results indicate that the NH3:H2SO4 mole ratio of small molecular clusters in typical atmospheric conditions is probably around 1:2. High ammonia concentrations or low temperatures may lead to the formation of ammonium bisulfate (1:1) clusters, but our results rule out the formation of ammonium sulfate clusters (2:1) anywhere in the atmosphere. A sensitivity analysis indicates that the qualitative conclusions of this study are not affected even by relatively large errors in the calculation of electronic energies or vibrational frequencies.
Directory of Open Access Journals (Sweden)
M. Kulmala
2007-05-01
Full Text Available We study the ammonia addition reactions of H2SO4·NH3 molecular clusters containing up to four ammonia and two sulfuric acid molecules using the ab initio method RI-MP2 (Resolution of Identity 2nd order MÃƒÂ¸ller-Plesset perturbation theory. Together with results from previous studies, we use the computed values to estimate an upper limit for the ammonia content of small atmospheric clusters, without having to explicitly include water molecules in the quantum chemical simulations. Our results indicate that the NH3:H2SO4 mole ratio of small molecular clusters in typical atmospheric conditions is probably around 1:2. High ammonia concentrations or low temperatures may lead to the formation of ammonium bisulfate (1:1 clusters, but our results rule out the formation of ammonium sulfate clusters (2:1 anywhere in the atmosphere. A sensitivity analysis indicates that the qualitative conclusions of this study are not affected even by relatively large errors in the calculation of electronic energies or vibrational frequencies.
Bellingeri, Michele
2014-01-01
A better understanding of the optical properties of random photonic structures is beneficial for many applications, such as random lasing, optical imaging and photovoltaics. Here we investigated the light transmission properties of disordered photonic structures in which the high refractive index layers are aggregated in clusters. We sorted the size of the clusters from a power law distribution tuning the exponent a of the distribution function. The sorted high refractive layer clusters are randomly distributed within the low refractive index layers. We studied the total light transmission, within the photonic band gap of the corresponding periodic crystal, as a function of the exponent in the distribution. We observed that, for a within the interval [0,3.5], the trend can be fitted with a sigmoidal function.
Pszona, S.; Kula, J.; Marjanska, S.
2000-06-01
A new method is presented for measuring the frequency distribution of ion clusters, formed in nanometre sections of track, by charged particles. The simulated nanometer-size sites are produced in a device, called the Jet Counter. It consists of a pulse-operated valve which injects an expanding jet of nitrogen gas into an interaction chamber. The resulting distributions of ion clusters produced by alpha particle tracks (from 241Am) in sections ranging from 2 to around 10 nm at unit density in nitrogen gas have been measured. Analysis of the experimental results confirm that the primary ionisation distributions produced in the nanometer sections comply with the Poisson distribution. The ionisation cluster distributions produced in the 2-10 nm track-segments are the first ever to be determined experimentally.
Energy Technology Data Exchange (ETDEWEB)
Pszona, S. E-mail: pszona@ipj.gov.pl; Kula, J.; Marjanska, S
2000-06-11
A new method is presented for measuring the frequency distribution of ion clusters, formed in nanometre sections of track, by charged particles. The simulated nanometer-size sites are produced in a device, called the Jet Counter. It consists of a pulse-operated valve which injects an expanding jet of nitrogen gas into an interaction chamber. The resulting distributions of ion clusters produced by alpha particle tracks (from {sup 241}Am) in sections ranging from 2 to around 10 nm at unit density in nitrogen gas have been measured. Analysis of the experimental results confirm that the primary ionisation distributions produced in the nanometer sections comply with the Poisson distribution. The ionisation cluster distributions produced in the 2-10 nm track-segments are the first ever to be determined experimentally.
THE CONTRIBUTION OF HALOS WITH DIFFERENT MASS RATIOS TO THE OVERALL GROWTH OF CLUSTER-SIZED HALOS
Energy Technology Data Exchange (ETDEWEB)
Lemze, Doron; Ford, Holland C.; Medezinski, Elinor [Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD 21218 (United States); Postman, Marc; Koekemoer, Anton [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21208 (United States); Genel, Shy [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Balestra, Italo; Nonino, Mario; Biviano, Andrea [INAF/Osservatorio Astronomico di Trieste, via G.B. Tiepolo 11, I-34143 Trieste (Italy); Donahue, Megan [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-2320 (United States); Kelson, Daniel; Voit, G. Mark [Carnegie Institute for Science, Carnegie Observatories, Pasadena, CA (United States); Mercurio, Amata [INAF/Osservatorio Astronomico di Capodimonte, Salita Moiariello 16, I-80131 Napoli (Italy); Rosati, Piero [European Southern Observatory, Karl-Schwarzschild Strasse 2, D-85748 Garching (Germany); Umetsu, Keiichi [Institute of Astronomy and Astrophysics, Academia Sinica, P.O. Box 23-141, Taipei 10617, Taiwan (China); Sand, David [Department of Physics, Texas Tech University, Box 41051, Lubbock, TX 79409-1051 (United States); Meneghetti, Massimo [INAF, Osservatorio Astronomico di Bologna, via Ranzani 1, I-40127 Bologna (Italy); Melchior, Peter [Center for Cosmology and Astro-Particle Physics, The Ohio State University, 191 West Woodruff Avenue, Columbus, OH 43210 (United States); Newman, Andrew B. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, MS 249-17, Pasadena, CA 91125 (United States); Bhatti, Waqas A. [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); and others
2013-10-20
We provide a new observational test for a key prediction of the ΛCDM cosmological model: the contributions of mergers with different halo-to-main-cluster mass ratios to cluster-sized halo growth. We perform this test by dynamically analyzing 7 galaxy clusters, spanning the redshift range 0.13 < z{sub c} < 0.45 and caustic mass range 0.4-1.5 10{sup 15} h{sub 0.73}{sup -1} M{sub ☉}, with an average of 293 spectroscopically confirmed bound galaxies to each cluster. The large radial coverage (a few virial radii), which covers the whole infall region, with a high number of spectroscopically identified galaxies enables this new study. For each cluster, we identify bound galaxies. Out of these galaxies, we identify infalling and accreted halos and estimate their masses and their dynamical states. Using the estimated masses, we derive the contribution of different mass ratios to cluster-sized halo growth. For mass ratios between ∼0.2 and ∼0.7, we find a ∼1σ agreement with ΛCDM expectations based on the Millennium simulations I and II. At low mass ratios, ∼< 0.2, our derived contribution is underestimated since the detection efficiency decreases at low masses, ∼2 × 10{sup 14} h{sub 0.73}{sup -1} M{sub ☉}. At large mass ratios, ∼> 0.7, we do not detect halos probably because our sample, which was chosen to be quite X-ray relaxed, is biased against large mass ratios. Therefore, at large mass ratios, the derived contribution is also underestimated.
The Effects of Orbital Inclination on the Scale Size and Evolution of Tidally Filling Star Clusters
Webb, Jeremy J; Harris, William E; Hurley, Jarrod R
2014-01-01
We have performed N-body simulations of tidally filling star clusters with a range of orbits in a Milky Way-like potential to study the effects of orbital inclination and eccentricity on their structure and evolution. At small galactocentric distances Rgc, a non-zero inclination results in increased mass loss rates. Tidal heating and disk shocking, the latter sometimes consisting of two shocking events as the cluster moves towards and away from the disk, help remove stars from the cluster. Clusters with inclined orbits at large Rgc have decreased mass loss rates than the non-inclined case, since the strength the disk potential decreases with Rgc. Clusters with inclined and eccentric orbits experience increased tidal heating due to a constantly changing potential, weaker disk shocks since passages occur at higher Rgc, and an additional tidal shock at perigalacticon. The effects of orbital inclination decrease with orbital eccentricity, as a highly eccentric cluster spends the majority of its lifetime at a larg...
Zha, Congji; Osvath, Peter; Wilson, Gerry; Launikonis, Anton
2009-02-01
Chalcogenide glasses are attractive for all-optical signal processing due to their outstanding optical properties, including large optical nonlinearity, a high refractive index and high photosensitivity. In device fabrication, a challenge lies in the difficulty of obtaining thin films with a high stability and good uniformity. In this paper, optical thin films containing nano-sized chalcogenide clusters in polysiloxane matrices are fabricated by a modified plasma deposition process. The optical absorption and luminescence emission properties of the hybrid thin films were characterized by UV-Vis-NIR and fluorescence spectroscopy. Luminescent emission from Ag-As-Se nano-sized clusters was observed for the first time in these nano-hybrid thin films, and the mechanism was discussed.
Bantsar, Aliaksandr
2012-01-01
The interaction of ionizing radiation with nanometric targets is a field of interest for many branches of science such as: radiology, oncology, radiation protection and nanoelectronics. A new experimental technique known as nanodosimetry has been developed for the qualitative as well as quantitative description of these types of interactions. The work presented here is a contribution to this development, namely by further improvement of the new experimental technique called the Jet Counter, originally developed at the Andrzej So{\\l}tan Institute for Nuclear Studies. The Jet Counter is a unique device in the world for studying the interaction of low energy electrons with nanometer targets in the range 2-10 nm (in unit density). The basic experimental result is the frequency distribution of ionization cluster size produced by ionizing particles in a gaseous (nitrogen or propane) nanometric track segment. The first experimental data on the frequency distribution of ionization cluster size produced by low energy ...
Energy Technology Data Exchange (ETDEWEB)
David Roelant; Seckin Gokaltun
2009-06-30
A circulating fluidized bed (CFB) built at FIU was used to study particle motion in the riser in order to simulate flow regimes in a cold gasifier. High speed imaging was used in order to capture the dynamics of the particles flowing in the riser. The imaging method used here is called the shadow sizing technique which allowed the determination of particle areas and trajectories at various flow rates in the riser. The solid volume fraction and particle velocities calculated using the images acquired during the experiments can be related to granular temperature in order to detect formations of clusters in the riser section of the CFB. The shadow sizing technique was observed to be an effective method in detecting dynamics of particles in motion and formation of clusters when supported with high-speed imaging.
Size-specific interaction of alkali metal ions in the solvation of M+-benzene clusters by Ar atoms.
Huarte-Larrañaga, F; Aguilar, A; Lucas, J M; Albertí, M
2007-08-23
The size-specific influence of the M+ alkali ion (M = Li, Na, K, Rb, and Cs) in the solvation process of the M+-benzene clusters by Ar atoms is investigated by means of molecular dynamic simulations. To fully understand the behavior observed in M+-bz-Ar(n) clusters, solvation is also studied in clusters containing either M+ or benzene only. The potential energy surfaces employed are based on a semiempirical bond-atom decomposition, which has been developed previously by some of the authors. The outcome of the dynamics is analyzed by employing radial distribution functions, studying the evolution of the distances between the Ar atoms and the alkali ion M+ or the benzene molecule for all M+-bz-Ar(n) clusters. For all members, in the M+-bz series, the benzene molecule (bz) is found to remain strongly bound to M+ even in the presence of solvent atoms. The radial distribution functions for the heavier clusters (K+-bz, Rb+-bz, and Cs+-bz), are found to be different than for the lighter (Na+-bz and Li+-bz) ones.
Mandal, Aparajita; Kole, Arindam; Dasgupta, Arup; Chaudhuri, Partha
2016-11-01
Electrical transport in the transverse direction has been studied through a series of hydrogenated silicon carbon alloy multilayers (SiC-MLs) deposited by plasma enhanced chemical vapor deposition method. Each SiC-ML consists of 30 cycles of the alternating layers of a nearly amorphous silicon carbide (a-SiC:H) and a microcrystalline silicon carbide (μc-SiC:H) that contains high density of silicon quantum dots (Si-QDs). A detailed investigation by cross sectional TEM reveals preferential growth of densely packed Si-QDs of regular sizes ∼4.8 nm in diameter in a vertically aligned columnar structure within the SiC-ML. More than six orders of magnitude increase in transverse current through the SiC-ML structure were observed for decrease in the a-SiC:H layer thickness from 13 nm to 2 nm. The electrical transport mechanism was established to be a combination of grain boundary or band tail hopping and Frenkel-Poole (F-P) type conduction depending on the temperature and externally applied voltage ranges. Evaluation of trap concentration within the multilayer structures from the fitted room temperature current voltage characteristics by F-P function shows reduction up-to two orders of magnitude indicating an improvement in the short range order in the a-SiC:H matrix for decrease in the thickness of a-SiC:H layer.
Study of CP(N-1) \\theta-Vacua by Cluster-Simulation of SU(N) Quantum Spin Ladders
Beard, B B; Riederer, S; Wiese, U J
2005-01-01
D-theory provides an alternative lattice regularization of the (1+1)-d CP(N-1) quantum field theory. In this formulation the continuous classical CP(N-1) fields emerge from the dimensional reduction of discrete SU(N) quantum spins. In analogy to Haldane's conjecture, ladders consisting of an even number of transversely coupled spin chains lead to a CP(N-1) model with vacuum angle \\theta = 0, while an odd number of chains yields \\theta = \\pi. In contrast to Wilson's formulation of lattice field theory, in D-theory no sign problem arises at \\theta = \\pi, and an efficient cluster algorithm is used to investigate the \\theta-vacuum effects. At \\theta = \\pi there is a first order phase transition with spontaneous breaking of charge conjugation symmetry for CP(N-1) models with N>2.
A voxelation-corrected non-stationary 3D cluster-size test based on random field theory.
Li, Huanjie; Nickerson, Lisa D; Zhao, Xuna; Nichols, Thomas E; Gao, Jia-Hong
2015-09-01
Cluster-size tests (CSTs) based on random field theory (RFT) are commonly adopted to identify significant differences in brain images. However, the use of RFT in CSTs rests on the assumption of uniform smoothness (stationarity). When images are non-stationary, CSTs based on RFT will likely lead to increased false positives in smooth regions and reduced power in rough regions. An adjustment to the cluster size according to the local smoothness at each voxel has been proposed for the standard test based on RFT to address non-stationarity, however, this technique requires images with a large degree of spatial smoothing, large degrees of freedom and high intensity thresholding. Recently, we proposed a voxelation-corrected 3D CST based on Gaussian random field theory that does not place constraints on the degree of spatial smoothness. However, this approach is only applicable to stationary images, requiring further modification to enable use for non-stationary images. In this study, we present modifications of this method to develop a voxelation-corrected non-stationary 3D CST based on RFT. Both simulated and real data were used to compare the voxelation-corrected non-stationary CST to the standard cluster-size adjusted non-stationary CST based on RFT and the voxelation-corrected stationary CST. We found that voxelation-corrected stationary CST is liberal for non-stationary images and the voxelation-corrected non-stationary CST performs better than cluster-size adjusted non-stationary CST based on RFT under low smoothness, low intensity threshold and low degrees of freedom. Published by Elsevier Inc.
Lawrence, Marlon; Testen, Anze; Koklic, Tilen; Smithies, Oliver
2016-02-05
Reducing dilute aqueous HAuCl4 with sodium thiocyanate (NaSCN) under alkaline conditions produces 2 to 3 nm diameter nanoparticles. Stable grape-like oligomeric clusters of these yellow nanoparticles of narrow size distribution are synthesized under ambient conditions via two methods. The delay-time method controls the number of subunits in the oligoclusters by varying the time between the addition of HAuCl₄ to alkaline solution and the subsequent addition of reducing agent, NaSCN. The yellow oligoclusters produced range in size from ~3 to ~25 nm. This size range can be further extended by an add-on method utilizing hydroxylated gold chloride (Na(+)[Au(OH₄-x)Clx](-)) to auto-catalytically increase the number of subunits in the as-synthesized oligocluster nanoparticles, providing a total range of 3 nm to 70 nm. The crude oligocluster preparations display narrow size distributions and do not require further fractionation for most purposes. The oligoclusters formed can be concentrated >300 fold without aggregation and the crude reaction mixtures remain stable for weeks without further processing. Because these oligomeric clusters can be concentrated before derivatization they allow expensive derivatizing agents to be used economically. In addition, we present two models by which predictions of particle size can be made with great accuracy.
Lateral interdot carrier transfer in an InAs quantum dot cluster grown on a pyramidal GaAs surface.
Liang, B L; Wong, P S; Pavarelli, N; Tatebayashi, J; Ochalski, T J; Huyet, G; Huffaker, D L
2011-02-04
InAs quantum dot clusters (QDCs), which consist of three closely spaced QDs, are formed on nano-facets of GaAs pyramidal structures by selective-area growth using metal-organic chemical vapor deposition. Photoluminescence (PL) and time-resolved PL (TRPL) experiments, measured in the PL linewidth, peak energy and QD emission dynamics indicate lateral carrier transfer within QDCs with an interdot carrier tunneling time of 910 ps under low excitation conditions. This study demonstrates the controlled formation of laterally coupled QDCs, providing a new approach to fabricate patterned QD molecules for optical computing applications.
Son, Yoonkook; Park, Mihee; Son, Yeonguk; Lee, Jung-Soo; Jang, Ji-Hyun; Kim, Youngsik; Cho, Jaephil
2014-02-12
This work has been performed to determine the critical size of the GeO2 nanoparticle for lithium battery anode applications and identify its quantum confinement and its related effects on the electrochemical performance. GeO2 nanoparticles with different sizes of ∼ 2, ∼ 6, ∼ 10, and ∼ 35 nm were prepared by adjusting the reaction rate, controlling the reaction temperature and reactant concentration, and using different solvents. Among the different sizes of the GeO2 nanoparticles, the ∼ 6 nm sized GeO2 showed the best electrochemical performance. Unexpectedly smaller particles of the ∼ 2 nm sized GeO2 showed the inferior electrochemical performances compared to those of the ∼ 6 nm sized one. This was due to the low electrical conductivity of the ∼ 2 nm sized GeO2 caused by its quantum confinement effect, which is also related to the increase in the charge transfer resistance. Those characteristics of the smaller nanoparticles led to poor electrochemical performances, and their relationships were discussed.
Energy Technology Data Exchange (ETDEWEB)
Dal Savio, C.
2006-02-20
Single InAs quantum dots (QDs) grown with the Stranski-Krastanov method in a In{sub 0.12}Ga{sub 0.88}As quantum well embedded in GaAs and emitting in the near infrared have been optically investigated. To perform QD spectroscopy at low temperatures a very stable micro-photoluminescence ({mu}-PL) microscope set-up fully integrated in a liquid helium (LHe) cryostate has been successfully developed. The system is based on the cold finger technique and a Fourier Transform (FT) spectrometer combined with a nitrogen cooled Ge detector. Photoluminescence of the QDs was excited non resonantly with a He-Ne laser and single dot spectroscopy was carried out at temperatures below 60 K. The experimental set-up allows mapping of the optical emission by recording spectra for every point of a scan grid. This mapping mode is used to acquire optical images and to locate a particular dot for investigation. Series of measurement on a single QD were normally performed over a long time (from a few days to a week), with the need of daily adjustment in the sub-micrometer range. At low excitation power a single sharp line (E{sub x}) arising from recombination of a single exciton in the dot is observed. Varying the excitation density the spectra become more complex, with appearance of the biexciton emission line (E{sub xx}) on the lower energies side of the E{sub x} line, followed by emission from excitons occupying higher shells in the dot. Measured biexciton binding energies and power dependence are in good agreement with values reported in the literature. The temperature dependence of the optical emission was investigated. The energy shows the characteristic decrease related to the shrinking of the semiconductor band gap, while the linewidth evolution is compatible with broadening due to coupling with acoustic and optical phonons. A statistics of biexciton binding energies over a dozen of dots was acquired and the results compared with single QD spectroscopy data available in the
Well-defined, nanometer-sized LiH cluster compounds stabilized by pyrazolate ligands.
Stasch, Andreas
2014-01-27
The assembly of well-defined large cluster compounds of ionic light metal hydrides is a synthetic challenge and of importance for synthesis, catalysis, and hydrogen storage. The synthesis and characterization of a series of neutral and anionic pyrazolate-stabilized lithium hydride clusters with inorganic cores in the nanometer region is now reported. These complexes were prepared in a bottom-up approach using alkyl lithium and lithium pyrazolate mixtures with silanes in hydrocarbon solutions. Structural characterization using synchrotron radiation revealed isolated cubic clusters that contain up to 37 Li(+) cations and 26 H(-) ions. Substituted pyrazolate ligands were found to occupy all corners and some edges for the anionic positions. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Energy Technology Data Exchange (ETDEWEB)
Li, Shun; Ge, Zhen-Hua [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Bo-Ping, E-mail: bpzhang@ustb.edu.cn [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Yao, Yao [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Wang, Huan-Chun [School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China); Yang, Jing; Li, Yan; Gao, Chao [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Lin, Yuan-Hua [School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China)
2016-10-30
Highlights: • CuS quantum dots (<5 nm) were synthesized by mechanochemical ball milling. • Defects was observed in the CuS quantum dots. • They show good visible light photocatalytic activity as Fenton-like reagents. - Abstract: We report a simple mechanochemical ball milling method for synthesizing monodisperse CuS quantum dots (QDs) with sizes as small as sub-5 nm. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and UV–vis spectroscopy. The CuS QDs exhibited excellent visible-light-driven photocatalytic activity and stability for degradation of Rodanmine B aqueous solution as Fenton-like reagents. Our study opens the opportunity to low-cost and facile synthesis of QDs in large scale for future industrial applications.
Nonmonotonic size dependence in the hole mobility of methoxide-stabilized PbSe quantum dot solids.
Scheele, Marcus; Engel, Jesse H; Ferry, Vivian E; Hanifi, David; Liu, Yi; Alivisatos, A Paul
2013-08-27
We present a facile procedure to fabricate p-type PbSe-based quantum dot solids with mobilities as large as 0.3 cm(2) V(-1)s(-1). Upon partial ligand exchange of oleate-capped PbSe quantum dots with the methoxide ion, we observe a pronounced red shift in the excitonic transition in conjunction with a large increase in conductivity. We show that there is little correlation between these two phenomena and that the electronic coupling energy in PbSe quantum dot solids is much smaller than often assumed. However, we observe for the first time a nonmonotonic size dependence of the hole mobility, illustrating that coupling can nonetheless be dominant in determining the transport characteristics. We attribute these effects to a decrease in charging energy and interparticle spacing, leading to enhanced electronic coupling on one hand and enhanced dipole interactions on the other hand, which is held responsible for the majority of the red shift.
Watanabe, Hiroshi C; Kubillus, Maximilian; Kubař, Tomáš; Stach, Robert; Mizaikoff, Boris; Ishikita, Hiroshi
2017-07-21
In the condensed phase, quantum chemical properties such as many-body effects and intermolecular charge fluctuations are critical determinants of the solvation structure and dynamics. Thus, a quantum mechanical (QM) molecular description is required for both solute and solvent to incorporate these properties. However, it is challenging to conduct molecular dynamics (MD) simulations for condensed systems of sufficient scale when adapting QM potentials. To overcome this problem, we recently developed the size-consistent multi-partitioning (SCMP) quantum mechanics/molecular mechanics (QM/MM) method and realized stable and accurate MD simulations, using the QM potential to a benchmark system. In the present study, as the first application of the SCMP method, we have investigated the structures and dynamics of Na(+), K(+), and Ca(2+) solutions based on nanosecond-scale sampling, a sampling 100-times longer than that of conventional QM-based samplings. Furthermore, we have evaluated two dynamic properties, the diffusion coefficient and difference spectra, with high statistical certainty. Furthermore the calculation of these properties has not previously been possible within the conventional QM/MM framework. Based on our analysis, we have quantitatively evaluated the quantum chemical solvation effects, which show distinct differences between the cations.
Quantum Chemical Study on Geometry and Property of Cluster Ni4P
Institute of Scientific and Technical Information of China (English)
FANG Zhi-Gang; HU Hong-Zhi; GUO Jing-Xue
2006-01-01
A series of clusters Ni4P are designed to simulate the amorphous alloy Ni80P20. After the cluster models are computed by DFT, several stable structures are gained. Their geometric, electronic and catalytic properties have been analyzed and discussed. It is proved that cluster Ni4P can reflect the amorphous alloy Ni80P20 very well from the geometry parameters. We find the deformed triangle dipyramid with quadruplet state (configuration 1(4)) is the most stable structure for cluster Ni4P, which is the most possible local structure in amorphous alloy Ni80P20. And the transition energy between two isomers with the same multiple state is higher than the one with the different. Bond Ni-P plays a very important role in offering the system stability for cluster Ni4P. P is the electron donor, and Ni is the accepter in cluster Ni4P, which is in accordance with the experiment results. The 3d orbital populations and Fermi levels of clusters Ni4 have been decreased with the addition of atom P. Based on the research of Fermi levels of clusters Ni4P to approach the Fermi level of H2 and their density of state (DOS), the highest catalytic active property in cluster Ni4P is owned to configuration 1(4).
Intemann, Julia; Spielmann, Jan; Sirsch, Peter; Harder, Sjoerd
A new tetranuclear magnesium hydride cluster, [{NN-(MgH)2}2], which was based on a NN-coupled bis--diketiminate ligand (NN2-), was obtained from the reaction of [{NN-(MgnBu)2}2] with PhSiH3. Its crystal structure reveals an almost-tetrahedral arrangement of Mg atoms and two different sets of hydride
Comment on the Paper ’Electron Bombardment Fragmentation of Size Selected NH3 Clusters’
1990-04-10
A. W Castleman, Jr., Ber. Bunsenges. Phys. Chem. 88, 217 (1984). 3) H. Shinohara, N. Nishi, and N. Washida, J. Chem. Phys. 83, 1939 (1985). 4) W Kamke ...B. Kamke , Z. Whang, R. Herrmann, and I. V. Hertel in Physics and ChemLstry of Small Clusters, edited by P Jena, B. K. Rao, and S. N. Khama (Plenum
Energy Technology Data Exchange (ETDEWEB)
Bose, Sangita; Galande, Charudatta; Chockalingam, S P; Raychaudhuri, Pratap; Ayyub, Pushan [Department of Condensed Matter Physics and Material Science, Tata Institute of Fundamental Research, Mumbai 400005 (India); Banerjee, Rajarshi [Department of Materials Science and Engineering, University of North Texas, Denton, TX 76203-5310 (United States)], E-mail: Sangita.Bose@fkf.mpg.de, E-mail: pratap@tifr.res.in, E-mail: pushan@tifr.res.in
2009-05-20
The superconducting transition temperature (T{sub C}) in nanostructured Pb decreases from 7.24 to 6.4 K as the particle size is reduced from 65 to 7 nm, below which superconductivity is lost rather abruptly. In contrast, there is a large enhancement in the upper critical field (H{sub C2}) in the same size regime. We explore the origin of the unusual robustness of T{sub C} over such a large particle size range in nanostructured Pb by measuring the temperature dependence of the superconducting energy gap in planar tunnel junctions of Al/Al{sub 2}O{sub 3}/nano-Pb. We show that below 22 nm, the electron-phonon coupling strength increases monotonically with decreasing particle size, and almost exactly compensates for the quantum size effect, which is expected to suppress T{sub C}.
Johnson, Christopher J; Johnson, Mark A
2013-12-19
Particles consisting of ammonia and sulfuric acid are widely regarded as seeds for atmospheric aerosol nucleation, and incorporation of alkylamines has been suggested to substantially accelerate their growth. Despite significant efforts, little direct experimental evidence exists for the structures and chemical processes underlying multicomponent particle nucleation. Here we are concerned with the positively charged clusters of ammonia and sulfuric acid with compositions H(+)(NH3)m(H2SO4)n (2 ≤ m ≤ 5, 1 ≤ n ≤ 4), for which equilibrium geometry structures have been reported in recent computational searches. The computed harmonic vibrational spectra of such minimum energy structures can be directly compared with the experimental spectra of each cluster composition isolated in the laboratory using cryogenic ion chemistry methods. We present one-photon (i.e., linear) infrared action spectra of the isolated gas phase ions cryogenically cooled to 10 K, allowing us to resolve the characteristic vibrational signatures of these clusters. Because the available calculated spectra for different structural candidates have been obtained using different levels of theory, we reoptimized the previously reported structures with several common electronic structure methods and find excellent agreement can be achieved for the (m = 3, n = 2) cluster using CAM-B3LYP with only minor structural differences from the previously identified geometries. At the larger sizes, the experimental spectra strongly resemble that observed for 180 nm ammonium bisulfate particles. The characteristic ammonium- and bisulfate-localized bands are clearly evident at all sizes studied, indicating that the cluster structures are indeed ionic in nature. With the likely (3,2) structure in hand, we then explore the spectral and structural changes caused when methylamine is substituted for ammonia. This process is found to occur with minimal perturbation of the unsubstituted cluster. The thermal
Bhunia, Snehasis; Vyas, Nidhi; Sahu, Chandan; Ojha, Animesh K
2014-11-01
Structural, electronic, and magnetic properties of ScN (N=2-14) clusters have been investigated using density functional theory (DFT) calculations. Different spin states isomer for each cluster size has been optimized with symmetry relaxation. The structural stability, dissociation energy, binding energy, spin stability, vertical ionization energy, electron affinity, chemical hardness, and size dependent magnetic moment per atom are calculated for the energetically most stable spin isomer for each size. The structural stability for a specific size cluster has been explained in terms of atomic shell closing effect, close packed symmetric structure, and chemical bonding. Spin stability of each cluster size is determined by calculating the value of spin gaps. The maximum value for second-order energy difference is observed for the clusters of size N = 2, 6, 11, and 13, which implies that these clusters are relatively more stable. The magnetic moment per atom corresponding to lowest energy structure has also been calculated. The magnetic moment per atom corresponding to lowest energy structures has been calculated. The calculated values of magnetic moment per atom vary in an oscillatory fashion with cluster size. The calculated results are compared with the available experimental data.
Du, Fang-Fang; Long, Gui-Lu
2017-01-01
We present a refined entanglement concentration protocol (ECP) for an arbitrary unknown less-entangled four-electron-spin cluster state by exploring the optical selection rules derived from the quantum-dot spins in one-sided optical microcavities. In our ECP, the parties obtain not only the four-electron-spin systems in the partial entanglement with two unknown parameters, but also the less-entangled two-electron-spin systems in the first step. Utilizing the above preserved systems as the resource for the second step of our ECP, the parties can obtain a standard cluster state by keeping the robust odd-parity instances with two parity-check gates. Meanwhile, the systems in the rest three instances can be used as the resource in the next round of our ECP. The success probability of our ECP is largely increased by iteration of the ECP process. Moreover, all the coefficients of our ECP are unknown for the parties without assistance of extra single electron-spin, so our ECP maybe has good applications in quantum communication network in the future.
Sridharan, Kishore; Jang, Eunyong; Park, Jung Hyun; Kim, Jong-Ho; Lee, Jung-Ho; Park, Tae Joo
2015-06-15
We report the visible-light photocatalytic properties of a composite system consisting of silver quantum clusters [Ag9 (H2 MSA)7 ] (H2 MSA=mercaptosuccinic acid) embedded on graphitic carbon nitride nanosheets (AgQCs-GCN). The composites were prepared through a simple chemical route; their structural, chemical, morphological, and optical properties were characterized by using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy, transmission electron microscopy, UV/Vis diffuse reflectance spectroscopy, and photoluminescence spectroscopy. Embedment of [Ag9 (H2 MSA)7 ] on graphitic carbon nitride nanosheets (GCN) resulted in extended visible-light absorption through multiple single-electron transitions in Ag quantum clusters and an effective electronic structure for hydroxyl radical generation, which enabled increased activity in the photocatalytic degradation of methylene blue and methyl orange dye molecules compared with pristine GCN and silver nanoparticle-grafted GCN (AgNPs-GCN). Similarly, the amount of hydrogen generated by using AgQCs-GCN was 1.7 times higher than pristine GCN. However, the rate of hydrogen generated using AgQCs-GCN was slightly less than that of AgNPs-GCN because of surface hydroxyl radical formation. The plausible photocatalytic processes are discussed in detail.
A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster
Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun
2015-04-01
The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles.The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles
Arnup, Sarah J; McKenzie, Joanne E; Hemming, Karla; Pilcher, David; Forbes, Andrew B
2017-08-15
In a cluster randomised crossover (CRXO) design, a sequence of interventions is assigned to a group, or 'cluster' of individuals. Each cluster receives each intervention in a separate period of time, forming 'cluster-periods'. Sample size calculations for CRXO trials need to account for both the cluster randomisation and crossover aspects of the design. Formulae are available for the two-period, two-intervention, cross-sectional CRXO design, however implementation of these formulae is known to be suboptimal. The aims of this tutorial are to illustrate the intuition behind the design; and provide guidance on performing sample size calculations. Graphical illustrations are used to describe the effect of the cluster randomisation and crossover aspects of the design on the correlation between individual responses in a CRXO trial. Sample size calculations for binary and continuous outcomes are illustrated using parameters estimated from the Australia and New Zealand Intensive Care Society - Adult Patient Database (ANZICS-APD) for patient mortality and length(s) of stay (LOS). The similarity between individual responses in a CRXO trial can be understood in terms of three components of variation: variation in cluster mean response; variation in the cluster-period mean response; and variation between individual responses within a cluster-period; or equivalently in terms of the correlation between individual responses in the same cluster-period (within-cluster within-period correlation, WPC), and between individual responses in the same cluster, but in different periods (within-cluster between-period correlation, BPC). The BPC lies between zero and the WPC. When the WPC and BPC are equal the precision gained by crossover aspect of the CRXO design equals the precision lost by cluster randomisation. When the BPC is zero there is no advantage in a CRXO over a parallel-group cluster randomised trial. Sample size calculations illustrate that small changes in the specification of
A spectral clustering search algorithm for predicting shallow landslide size and location
Dino Bellugi; David G. Milledge; William E. Dietrich; Jim A. McKean; J. Taylor Perron; Erik B. Sudderth; Brian Kazian
2015-01-01
The potential hazard and geomorphic significance of shallow landslides depend on their location and size. Commonly applied one-dimensional stability models do not include lateral resistances and cannot predict landslide size. Multi-dimensional models must be applied to specific geometries, which are not known a priori, and testing all possible geometries is...
Self-organization of Pb thin films on Cu(111) induced by quantum size effects
Dil, J. H.; Kim, J. W.; Gokhale, S.; Tallarida, M.; Horn, K.
2004-07-01
Electron confinement in thin films of Pb on Cu(111) leads to the formation of quantum well states, formed out of the upper valence band of Pb. Their evolution as a function of film thickness is characterized in angle-resolved photoemission and can be interpreted in terms of a straightforward quantum well model. This permits an identification of film growth mode at low temperatures. Bringing the films into thermal equilibrium by annealing induces strong changes in the spectra. Their interpretation demonstrates that specific “magic” layers are preferred because of total energy minimization induced by the arrangement of quantum well states with respect to the Fermi level.
Spendier, Kathrin; Lidke, Keith A; Lidke, Diane S; Thomas, James L
2012-02-17
When mast cells contact a monovalent antigen-bearing fluid lipid bilayer, IgE-loaded FcεRI receptors aggregate at contact points and trigger degranulation and the release of immune activators. We used two-color total internal reflection fluorescence microscopy and single-particle tracking to show that most fluorescently labeled receptor complexes diffuse freely within these micron-size clusters, with a diffusion coefficient comparable to free receptors in resting cells. At later times, when the small clusters coalesce to form larger patches, receptors diffuse even more rapidly. In all cases, Monte Carlo diffusion simulations ensured that the tracking results were free of bias, and distinguished biological from statistical variation. These results show the diversity in receptor mobility in mast cells, demonstrating at least three distinct states of receptor diffusivity.
Study of band gap and determination of size of PbS quantum dots synthesized by colloidal solution
Directory of Open Access Journals (Sweden)
M. S. Ghamsari
2005-03-01
Full Text Available PbS semiconductor non-crystals have been synthesized in order to study the modification of their electronic structures and optical properties in relation to their size. The synthesis has been carried out by using the techniques of colloidal chemistry. Strong quantum confinement behavior has been observed based on the analysis of optical spectra of these particles. The average particle size approximated by x-ray line width and hyperbolic band model calculation. Heterogeneous broadening of optical spectrum is studied finally.
Grinolds, Darcy D W; Brown, Patrick R; Harris, Daniel K; Bulovic, Vladimir; Bawendi, Moungi G
2015-01-14
We study the dielectric constant of lead sulfide quantum dot (QD) films as a function of the volume fraction of QDs by varying the QD size and keeping the ligand constant. We create a reliable QD sizing curve using small-angle X-ray scattering (SAXS), thin-film SAXS to extract a pair-distribution function for QD spacing, and a stacked-capacitor geometry to measure the capacitance of the thin film. Our data support a reduced dielectric constant in nanoparticles.
Lee, Minho; Kim, Namkug; Lee, Sang Min; Seo, Joon Beom; Oh, Sang Young
2015-03-01
To quantify low attenuation area (LAA) of emphysematous regions according to cluster size in 3D volumetric CT data of chronic obstructive pulmonary disease (COPD) patients and to compare these indices with their pulmonary functional test (PFT). Sixty patients with COPD were scanned by a more than 16-multi detector row CT scanner (Siemens Sensation 16 and 64) within 0.75mm collimation. Based on these LAA masks, a length scale analysis to estimate each emphysema LAA's size was performed as follows. At first, Gaussian low pass filter from 30mm to 1mm kernel size with 1mm interval on the mask was performed from large to small size, iteratively. Centroid voxels resistant to the each filter were selected and dilated by the size of the kernel, which was regarded as the specific size emphysema mask. The slopes of area and number of size based LAA (slope of semi-log plot) were analyzed and compared with PFT. PFT parameters including DLco, FEV1, and FEV1/FVC were significantly (all p-value< 0.002) correlated with the slopes (r-values; -0.73, 0.54, 0.69, respectively) and EI (r-values; -0.84, -0.60, -0.68, respectively). In addition, the D independently contributed regression for FEV1 and FEV1/FVC (adjust R sq. of regression study: EI only, 0.70, 0.45; EI and D, 0.71, 0.51, respectively). By the size based LAA segmentation and analysis, we evaluated the Ds of area, number, and distribution of size based LAA, which would be independent factors for predictor of PFT parameters.
Cool Cluster Correctly Correlated
Energy Technology Data Exchange (ETDEWEB)
Varganov, Sergey Aleksandrovich [Iowa State Univ., Ames, IA (United States)
2005-01-01
Atomic clusters are unique objects, which occupy an intermediate position between atoms and condensed matter systems. For a long time it was thought that physical and chemical properties of atomic dusters monotonically change with increasing size of the cluster from a single atom to a condensed matter system. However, recently it has become clear that many properties of atomic clusters can change drastically with the size of the clusters. Because physical and chemical properties of clusters can be adjusted simply by changing the cluster's size, different applications of atomic clusters were proposed. One example is the catalytic activity of clusters of specific sizes in different chemical reactions. Another example is a potential application of atomic clusters in microelectronics, where their band gaps can be adjusted by simply changing cluster sizes. In recent years significant advances in experimental techniques allow one to synthesize and study atomic clusters of specified sizes. However, the interpretation of the results is often difficult. The theoretical methods are frequently used to help in interpretation of complex experimental data. Most of the theoretical approaches have been based on empirical or semiempirical methods. These methods allow one to study large and small dusters using the same approximations. However, since empirical and semiempirical methods rely on simple models with many parameters, it is often difficult to estimate the quantitative and even qualitative accuracy of the results. On the other hand, because of significant advances in quantum chemical methods and computer capabilities, it is now possible to do high quality ab-initio calculations not only on systems of few atoms but on clusters of practical interest as well. In addition to accurate results for specific clusters, such methods can be used for benchmarking of different empirical and semiempirical approaches. The atomic clusters studied in this work contain from a few atoms
Approximating relational observables by absolute quantities: a quantum accuracy-size trade-off
Miyadera, Takayuki; Loveridge, Leon; Busch, Paul
2016-05-01
The notion that any physical quantity is defined and measured relative to a reference frame is traditionally not explicitly reflected in the theoretical description of physical experiments where, instead, the relevant observables are typically represented as ‘absolute’ quantities. However, the emergence of the resource theory of quantum reference frames as a new branch of quantum information science in recent years has highlighted the need to identify the physical conditions under which a quantum system can serve as a good reference. Here we investigate the conditions under which, in quantum theory, an account in terms of absolute quantities can provide a good approximation of relative quantities. We find that this requires the reference system to be large in a suitable sense.
DEFF Research Database (Denmark)
Hartmann, Hannes; Popok, Vladimir; Barke, Ingo;
2012-01-01
and analyzed. Size-selected clusters are deposited on substrates and the efficiency of an electrostatic quadrupole mass selector (QMS) is tested. Height analysis using atomic force microscopy (AFM) demonstrates relative standard size deviations of 7-10 % for the particles of various sizes between 6 nm and 19...
Liu, Zhihao; Chen, Hanwu; Liu, Wenjie
2016-10-01
A new attack strategy, the so-called intercept-selectively-measure-resend attack is put forward. It shows that there are some security issues in the controlled quantum secure direct communication (CQSDC) and authentication protocol based on five-particle cluster states and quantum one-time pad. Firstly, an eavesdropper (Eve) can use this attack to eavesdrop on 0.656 bit of every bit of the identity string of the receiver and 1.406 bits of every couple of the corresponding bits of the secret message without being detected. Also, she can eavesdrop on 0.311 bit of every bit of the identity string of the controller. Secondly, the receiver can also take this attack to obtain 1.311 bits of every couple of the corresponding bits of the secret message without the permission of the controller, which is not allowed in the CQSDC protocols. In fact, there is another security issue in this protocol, that is, one half of the information about the secret is leaked out unconsciously. In addition, an alternative attack strategy which is called as the selective-CNOT-operation attack strategy to attack this protocol is discussed.
Hydrothermal Preparation of TiO2-ZnO Nano Core-Shell Structure with Quantum Size Effect
Asl, Shahab Khameneh; Rad, M. Kianpour; Sadrnezhaad, S. K.
2011-12-01
Nano sized ZnO on TiO2 spherical core shells were prepared by using hydrothermal method. The particle size of initial TiO2 was around 20 nm, and the specific surface area was 50 m2/gr. Different ratios of TiO2 and ZnO applied to synthesize core shell particle. X-ray diffraction (XRD) used to phase characterization and crystalline size, scanning electron microscopy (SEM) to morphology and microstructure investigations. S. Brunauer, P. H. Emmett and E. Teller method (BET) to find specific surface area, Diffusive UV-visible-NIR spectrometry to bang gap calculations. The results indicate that powders with a shell of zinc oxide in specific range have the quantum size effect. Titanium oxide and zinc oxide have similar band gap, but TiO2 could act as a template to produced 2D structure of ZnO with modified physical properties.
Performance of Basic Geodynamic Solvers on BG/p and on Modern Mid-sized CPU Clusters
Omlin, S.; Keller, V.; Podladchikov, Y.
2012-04-01
Nowadays, most researchers have access to computer clusters. For the community developing numerical applications in geodynamics, this constitutes a very important potential: besides that current applications can be speeded up, much bigger problems can be solved. This is particularly relevant in 3D applications. However, current practical experiments in geodynamic high-performance applications normally end with the successful demonstration of the potential by exploring the performance of the simplest example (typically the Poisson solver); more advanced practical examples are rare. For this reason, we optimize algorithms for 3D scalar problems and 3D mechanics and design concise, educational Fortran 90 templates that allow other researchers to easily plug in their own geodynamic computations: in these templates, the geodynamic computations are entirely separated from the technical programming needed for the parallelized running on a computer cluster; additionally, we develop our code with minimal syntactical differences from the MATLAB language, such that prototypes of the desired geodynamic computations can be programmed in MATLAB and then copied into the template with only minimal syntactical changes. High-performance programming requires to a big extent taking into account the specificities of the available hardware. The hardware of the world's largest CPU clusters is very different from the one of a modern mid-sized CPU cluster. In this context, we investigate the performance of basic memory-bounded geodynamic solvers on the large-sized BlueGene/P cluster, having 13 Gb/s peak memory bandwidth, and compare it with the performance of a typical modern mid-sized CPU cluster, having 100 Gb/s peak memory bandwidth. A memory-bounded solver's performance depends only on the amount of data required for its computations and on the speed this data can be read from memory (or from the CPUs' cache). In consequence, we speed up the solvers by optimizing memory access and CPU
Takayanagi, Toshiyuki; Shiga, Motoyuki
2003-04-01
The photodissociation dynamics of Cl 2 embedded in helium clusters is studied by numerical simulation with an emphasis on the effect of quantum character of helium motions. The simulation is based on the hybrid model in which Cl-Cl internuclear dynamics is treated in a wavepacket technique, while the helium motions are described by a path integral centroid molecular dynamics approach. It is found that the cage effect largely decreases when the helium motion is treated quantum mechanically. The mechanism is affected not only by the zero-point vibration in the helium solvation structure, but also by the quantum dynamics of helium.
XML document clustering method based on quantum genetic algorithm%基于量子遗传算法的XML聚类方法
Institute of Scientific and Technical Information of China (English)
蒋勇; 谭怀亮; 李光文
2011-01-01
This paper maiuly targets on XML clustering with kernel methods for pattern analysis and the quantum genetic algorithm.Then, a new method based on the quantum genetic algorithm and kernel clustering algorithm was proposed.To eliminate the XML documents first, the vector space kernel's kernel matrix was generated with frequent-tag sequence, the initial clustering and clustering center with the Gaussian kernel functions were solved, then the quantum genetic algorithm's initial populations were constructed by the initial clustering center structure.Clustering of the globally optimal solutions was obtained through the combination of quantum genetic algorithm and kernel clustering algorithm.The experimental results show that the proposed algorithm is superior to the improved kernel clustering algorithm and K-means in good astringency, stability and overall optimal solutions.%主要用模式分析的核方法与量子遗传算法相结合研究XML聚类,提出了一种基于量子遗传算法混合核聚算法的XML文档聚类新方法.该方法先对XML文档约简,以频繁标签序列建立向量空间核的核矩阵,用高斯核函数求解初始聚类和聚类中心,然后用初始聚类中心构造量子遗传算法的初始种群,通过量子遗传算法与核聚算法相结合求得全局最优解的聚类.实验结果表明,使用该算法的聚类比改进的核聚算法、K均值算法等单一方法具有良好的收敛性、稳定性和更高的全局最优.
Quantum chemical study of small AlnBm clusters: Structure and physical properties
Loukhovitski, Boris I.; Sharipov, Alexander S.; Starik, Alexander M.
2017-08-01
The structure and physical properties, including rotational constants, characteristic vibrational temperatures, collision diameter, dipole moment, static polarizability, the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), and formation enthalpy of the different isomeric forms of AlnBm clusters with n + m ⩽ 7 are studied using density functional theory. The search of the structure of isomers has been carried employing multistep hierarchical algorithm. Temperature dependencies of thermodynamic functions, such as enthalpy, entropy, and specific heat capacity, have been determined both for the individual isomers and for the ensembles with equilibrium and frozen compositions for the each class of clusters taking into account the anharmonicity of cluster vibrations and the contribution of their excited electronic states. The prospects of the application of small AlnBm clusters as the components of energetic materials are also considered.
Quantum-chemical Calculations of the Adsorption of CO on the Metal Oxide Clusters
National Research Council Canada - National Science Library
E.A. Koblova; A.Yu. Ustinov; O.L. Shcheka
2016-01-01
The geometric, energetic, spectral and electronic properties of the most stable clusters of the aluminum, nickel and copper oxides with the adsorbed CO molecule have been studied using Density Functional Theory...
Solid oxide fuel cell anode image segmentation based on a novel quantum-inspired fuzzy clustering
Fu, Xiaowei; Xiang, Yuhan; Chen, Li; Xu, Xin; Li, Xi
2015-12-01
High quality microstructure modeling can optimize the design of fuel cells. For three-phase accurate identification of Solid Oxide Fuel Cell (SOFC) microstructure, this paper proposes a novel image segmentation method on YSZ/Ni anode Optical Microscopic (OM) images. According to Quantum Signal Processing (QSP), the proposed approach exploits a quantum-inspired adaptive fuzziness factor to adaptively estimate the energy function in the fuzzy system based on Markov Random Filed (MRF). Before defuzzification, a quantum-inspired probability distribution based on distance and gray correction is proposed, which can adaptively adjust the inaccurate probability estimation of uncertain points caused by noises and edge points. In this study, the proposed method improves accuracy and effectiveness of three-phase identification on the micro-investigation. It provides firm foundation to investigate the microstructural evolution and its related properties.
POLYMER COMPOSITE FILMS WITH SIZE-SELECTED METAL NANOPARTICLES FABRICATED BY CLUSTER BEAM TECHNIQUE
DEFF Research Database (Denmark)
Ceynowa, F. A.; Chirumamilla, Manohar; Popok, Vladimir
2017-01-01
after the deposition. The degree of immersion can be controlled by the annealing temperature and time. Together with control of cluster coverage the described approach represents an efficient method for the synthesis of thin polymer composite layers with either partially or fully embedded metal NPs......, in particular, for the use of phenomenon of localized surface plasmon resonance (LSPR). Unfortunately, it is found that the thermal annealing used in the production process can lead to quenching of plasmonic properties in the case of copper. To solve this problem, it is suggested to treat the samples with ozone...
Beniya, Atsushi; Isomura, Noritake; Hirata, Hirohito; Watanabe, Yoshihide
2014-12-28
The adsorption states of size-selected Ptn clusters (7 ≤ n ≤ 20) soft-landed on an Al2O3/NiAl(110) substrate were investigated using scanning tunneling microscopy, infrared reflection absorption spectroscopy, and temperature programmed desorption. Ptn clusters lay flat on the surface with a planar structure (n ≤ 18), and three-dimensional two-layer clusters start to appear at n ≥ 19. By considering the Pt-Pt and Pt-oxide bonds in the cluster, the morphological transition could be reasonably explained. Using CO probe molecules, the chemical states of the Pt atoms inside the clusters were investigated. Two ontop CO species were observed inside the clusters, and were assigned as adsorbed CO on neutral and slightly cationic Pt atoms. Despite the first layer Pt atoms, the Ptn clusters are composed of two kinds of Pt atoms. The observed size dependence of the Pt atoms inside the clusters may contribute to the size-dependent chemical reactivity of Ptn clusters on the Al2O3 surface.
H, Dakhlaoui; S, Almansour
2016-06-01
In this work, the electronic properties of resonant tunneling diodes (RTDs) based on GaN-Al x Ga(1-x)N double barriers are investigated by using the non-equilibrium Green functions formalism (NEG). These materials each present a wide conduction band discontinuity and a strong internal piezoelectric field, which greatly affect the electronic transport properties. The electronic density, the transmission coefficient, and the current-voltage characteristics are computed with considering the spontaneous and piezoelectric polarizations. The influence of the quantum size on the transmission coefficient is analyzed by varying GaN quantum well thickness, Al x Ga(1-x)N width, and the aluminum concentration x Al. The results show that the transmission coefficient more strongly depends on the thickness of the quantum well than the barrier; it exhibits a series of resonant peaks and valleys as the quantum well width increases. In addition, it is found that the negative differential resistance (NDR) in the current-voltage (I-V) characteristic strongly depends on aluminum concentration x Al. It is shown that the peak-to-valley ratio (PVR) increases with x Al value decreasing. These findings open the door for developing vertical transport nitrides-based ISB devices such as THz lasers and detectors. Project supported by the Deanship of Scientific Research of University of Dammam (Grant No. 2014137).
Hartmann, H.; Popok, V. N.; Barke, I.; von Oeynhausen, V.; Meiwes-Broer, K.-H.
2012-07-01
The design and performance of an experimental setup utilizing a magnetron sputtering source for production of beams of ionized size-selected clusters for deposition in ultra-high vacuum is described. For the case of copper cluster formation the influence of different source parameters is studied and analyzed. Size-selected clusters are deposited on substrates and the efficiency of an electrostatic quadrupole mass selector is tested. Height analysis using atomic force microscopy (AFM) demonstrates relative standard size deviations of 7%-10% for the particles of various sizes between 6 nm and 19 nm. Combined analysis by AFM and transmission electron microscopy reveals that the clusters preserve almost spherical shape after the deposition on amorphous carbon substrates. Supported nanoparticles of a few nanometres in diameter have crystalline structure with a face-centered cubic (fcc) lattice.
RXJ0848.6+4453: The Evolution of Galaxy Sizes and Stellar Populations in a z=1.27 Cluster
Jorgensen, Inger; Toft, Sune; Bergmann, Marcel; Zirm, Andrew; Schiavon, Ricardo P; Grutzbauch, Ruth
2014-01-01
RXJ0848.6+4453 (Lynx W) at redshift 1.27 is part of the Lynx Supercluster of galaxies. Our analysis of stellar populations and star formation history in the cluster covers 24 members and is based on deep optical spectroscopy from Gemini North and imaging data from HST. Focusing on the 13 bulge-dominated galaxies for which we can determine central velocity dispersions, we find that these show a smaller evolution of sizes and velocity dispersions than reported for field galaxies and galaxies in poorer clusters. The galaxies in RXJ0848.6+4453 populate the Fundamental Plane similar to that found for lower redshift clusters with a zero point offset corresponding to an epoch of last star formation at z_form= 1.95+-0.2. The spectra of the galaxies in RXJ0848.6+4453 are dominated by young stellar populations at all galaxy masses and in many cases show emission indicating low level on-going star formation. The average age of the young stellar populations (estimated from H-zeta) is consistent with a major star formatio...
Fan, Baolu; Guo, Xiaoxiao; Zhang, Yumeng; Fan, Jiyang
2017-02-01
We investigate the concentration and size dependent UV/green photoluminescence properties of the ZnO quantum dots (QDs) with sizes in the strong confinement regime. The luminescence characteristics of an ensemble of colloidal semiconductor QDs with quantum confinement effect depend sensitively on particle concentration but this has only been qualitatively understood. By taking ZnO QDs as an ideal prototype, we construct a material-independent theoretical model to study the photon reabsorption phenomenon. The theoretical result agrees well with the experiment. This model can be used to quantitatively study the concentration-dependent luminescence properties of any collection of QDs with considerable size dispersion. On the other hand, the origin of green emission in ZnO QDs remains debated. The comparative study of the size dependence of UV and green emissions in conjunction with the effective-mass approximation calculation suggests that the green emission in the ZnO QDs originates from the conduction band to the deep level transition.
Novel π-type vortex in a nanoscale extreme type-II superconductor: Induced by quantum-size effect
Huang, Haiyan; Liu, Qing; Zhang, Wenhui; Chen, Yajiang
2016-11-01
By numerically solving the Bogoliubov-de Gennes equations, we report a novel π-type vortex state whose order parameter near the core undergoes an extraordinary π-phase change for a quantum-confined extreme type-II s-wave superconductor. Its supercurrent behaves as the cube of the radial coordinate near the core, and its local density of states spectrum exhibits a significant negative-shifted zero-bias peak. Such π-type vortex state is induced by quantum-size effect, and can survive thermal smearing at temperatures up to a critical value Tτ. The Anderson's approximation indicates that the π-type vortex may remain stable under sufficiently week magnetic field in the case less deep in the type-II limit. Moreover, we find that its appearance is governed by the sample size and kFξ0 with kF the Fermi wave number and ξ0 the zero-temperature coherence length. Similar effects may be expected in quantum-confined ultracold superfluid Fermi gasses, or even high-Tc superconductors with proper kFξ0 value.
Al-Khalili, Jim
2003-01-01
In this lively look at quantum science, a physicist takes you on an entertaining and enlightening journey through the basics of subatomic physics. Along the way, he examines the paradox of quantum mechanics--beautifully mathematical in theory but confoundingly unpredictable in the real world. Marvel at the Dual Slit experiment as a tiny atom passes through two separate openings at the same time. Ponder the peculiar communication of quantum particles, which can remain in touch no matter how far apart. Join the genius jewel thief as he carries out a quantum measurement on a diamond without ever touching the object in question. Baffle yourself with the bizzareness of quantum tunneling, the equivalent of traveling partway up a hill, only to disappear then reappear traveling down the opposite side. With its clean, colorful layout and conversational tone, this text will hook you into the conundrum that is quantum mechanics.
Quantum electrostatic surface waves in a hybrid plasma waveguide: Effect of nano-sized slab
Shahmansouri, M.; Mahmodi Moghadam, M.
2017-10-01
The propagation properties of surface plasmon (SP) waves are studied in a hybrid plasma waveguide (consisting of plasma-gap-dielectric layers) with quantum effects including the Fermi-pressure, the Bohm potential and the exchange-correlation interaction. By using a quantum hydrodynamic model and Maxwell's equations, the dispersion relation of SP waves is derived, which describes the quantum corrected features of the dispersion properties of such surface waves. Previous results in this context are recovered. It is found that the exchange-correlation interactions and the presence of the second dielectric layer drastically modify the behaviors of the surface plasmon waves. The implications of our finding are discussed in some particular cases of interest. Our finding is applicable for understanding the surface wave behaviors in nano-scale systems.
7 CFR 52.1850 - Sizes of raisins with seeds-except layer or cluster.
2010-01-01
... MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE REGULATIONS AND STANDARDS UNDER THE AGRICULTURAL MARKETING ACT OF 1946 PROCESSED FRUITS AND VEGETABLES, PROCESSED PRODUCTS... perforations 22/64-inch in diameter. (3) Mixed size raisins means a mixture which does not meet either the...
Institute of Scientific and Technical Information of China (English)
2000-01-01
The disintegration of a mass of magnetic particles is investigated at pulsing switching on a magnetic field. The influence of field value on quantity, sizes and allocation of fragments of disintegration is explored. The presence of two critical fields, defining the process of disintegration, is revealed. The results can be used at manufacture of packings to magnetic filters.
Cutaneous MCTs: associations with spay/neuter status, breed, body size, and phylogenetic cluster.
White, Carrie R; Hohenhaus, Ann E; Kelsey, Jennifer; Procter-Gray, Elizabeth
2011-01-01
Certain breeds are known to be overrepresented among mast cell tumor (MCT) patients, but other risk factors have not been evaluated. This study presents results from a case-control study of 252 dogs with grade 2 or grade 3 cutaneous MCT. Increased risk for MCT development was found in spayed females (adjusted odds ratio [OR], 4.11), boxers (adjusted OR, 6.09), Labrador retrievers (adjusted OR, 3.95), pugs (adjusted OR, 3.17), golden retrievers (adjusted OR, 2.12), the mastiff and terrier phylogenetic cluster (adjusted OR, 3.19), and breeds classified as large (adjusted OR, 2.10) or giant (adjusted OR, 5.44). Additional studies are needed to evaluate the role of these and other potential risk factors in MCT development.
Silva, Anielle Christine Almeida; Silva, Marcelo José Barbosa; da Luz, Felipe Andrés Cordero; Silva, Danielle Pereira; de Deus, Samantha Luara Vieira; Dantas, Noelio Oliveira
2014-09-10
Quantum dots are potentially very useful as fluorescent probes in biological systems. However, they are inherently cytotoxic because of their constituents. We controlled the cytotoxicity of CdSe magic-sized quantum dots (MSQDs) as a function of surface defect density by altering selenium (Se) concentration during synthesis. Higher Se concentrations reduced the cytotoxicity of the CdSe MSQDs and diminished mRNA expression of methallothionein because of the low cadmium ions (Cd(2+)) concentration adsorbed on the surface of the MSQDs. These results agree with luminescence spectra, which show that higher Se concentrations decrease the density of surface defects. Therefore, our results describe for the first time a simple way of controlling the cytotoxicity of CdSe MSQDs and making them safer to use as fluorescence probes in biological systems.
Monreal, R Carmina; Apell, S Peter
2016-01-01
The detailed understanding of the physical parameters that determine Localized Surface Plasmon Resonances (LSPRs) is essential to develop new applications for plasmonics. A relatively new area of research has been opened by the identification of LSPRs in low carrier density systems obtained by doping semiconductor quantum dots. We investigate theoretically how diffuse surface scattering of electrons in combination with the effect of quantization due to size (QSE) impact the evolution of the LSPRs with the size of these nanosystems. Two key parameters are the length $R_0$ giving the strength of the QSE and the velocity $\\beta_T$ of the electronic excitations entering in the length scale for diffuse surface scattering. While the QSE itself only produces a blueshift in energy of the LSPRs, the diffuse surface scattering mechanism gives to both energy and linewidth an oscillatory-damped behavior as a function of size, with characteristic lengths that depend on material parameters. Thus, the evolution of the LSPRs...
Horváthová, L; Mitas, L; Štich, I
2014-01-01
We present calculations of electronic and magnetic structures of vanadium-benzene multidecker clusters V$_{n}$Bz$_{n+1}$ ($n$ = 1 - 3) using advanced quantum Monte Carlo methods. These and related systems have been identified as prospective spin filters in spintronic applications, assuming that their ground states are half-metallic ferromagnets. Although we find that magnetic properties of these multideckers are consistent with ferromagnetic coupling, their electronic structures do not appear to be half-metallic as previously assumed. In fact, they are ferromagnetic insulators with large and broadly similar $\\uparrow$-/$\\downarrow$-spin gaps. This makes the potential of these and related materials as spin filtering devices very limited, unless they are further modified or functionalized.
Nikitina, N. A.; Pichugina, D. A.; Kuz'menko, N. E.
2017-08-01
A procedure based on density functional theory is proposed for calculation of Au20(XCH3)16 (X = S, Se, Te) isomers. It is established that the most stable isomer for all X has a core‒shell structure: Au7@(AuXCH3)8(XCH3(AuXCH3)3)(XCH3AuXCH3)2. Optical and IR spectra, ionization potential, and electron affinity are calculated for the first time for all clusters. It is shown that a cluster protected by thiolate ligands has the greatest electronic and thermodynamic stability.
Size and composition-controlled fabrication of VO2 nanocrystals by terminated cluster growth
Energy Technology Data Exchange (ETDEWEB)
Anders, Andre; Slack, Jonathan
2013-05-14
A physical vapor deposition-based route for the fabrication of VO2 nanoparticles is demonstrated, consisting of reactive sputtering and vapor condensation at elevated pressures. The oxidation of vanadium atoms is an efficient heterogeneous nucleation method, leading to high nanoparticle throughtput. Fine control of the nanoparticle size and composition is obtained. Post growth annealing leads to crystalline VO2 nanoparticles with optimum thermocromic and plasmonic properties.
Indian Academy of Sciences (India)
Dhanraj B Shinde; Vishal M Dhavale; Sreekumar Kurungot; Vijayamohanan K Pillai
2015-04-01
Here we report a remarkable transformation of nitrogen-doped multiwalled carbon nanotubes (MWCNTs) to size selective nitrogen-doped graphene quantum dots (N-GQDs) by a two-step electrochemical method. The sizes of the N-GQDs strongly depend on the applied anodic potential, moreover increasing potential resulted in a smaller size of N-GQDs. These N-GQDs display many unusual size-dependant optoelectronic (blue emission) and electrocatalytic (oxygen reduction) properties. The presence of N dopants in the carbon framework not only causes faster unzipping of MWCNTs but also provides more low activation energy site for enhancing the electrocatalytic activity for technologically daunting reactions like oxygen reduction. The smaller size of N-GQDs has shown better performance as compared to the large N-GQDs. Interestingly, N-GQDs-3 (size = 2.5 ± 0.3 nm, onset potential = 0.75 V) show a 30-mV higher positive onset potential shift compared to that of N-GQDs-2 (size = 4.7 ± 0.3 nm, onset potential = 0.72 V) and 70 mV than that of N-GQDs-1 (size = 7.2 ± 0.3, onset potential = 0.68 V) for oxygen reduction reaction (ORR) in a liquid phase. These result in the size-dependent electrocatalytic activity of N-GQDs for ORR as illustrated by the smaller sized N-GQDs (2.5 ± 0.3 nm) undoubtedly promising metal-free electrocatalysts for fuel cell applications.
Surface brightens up Si quantum dots: direct bandgap-like size-tunable emission
Dohnalova, K.; Poddubny, A.N.; Prokofiev, A.A.; Boer, W.D.A.M.; Umesh, C.; Paulusse, J.M.J.; Zuilhof, H.; Gregorkiewicz, T.
2013-01-01
Colloidal semiconductor quantum dots (QDs) constitute a perfect material for ink-jet printable large area displays, photovoltaics, light-emitting diode, bio-imaging luminescent markers and many other applications. For this purpose, efficient light emission/absorption and spectral tunability are
Surface brightens-up Si quantum dots: direct bandgap-like size-tunable emission
Dohnalová, K.; Poddubny, A. N.; Prokofiev, A.A.; de Boer, W.D.A.M.; Umesh, C.P.; Paulusse, J.M.J.; Zuilhof, H.; Gregorkiewicz, T.
2013-01-01
Colloidal semiconductor quantum dots (QDs) constitute a perfect material for ink-jet printable large area displays, photovoltaics, light-emitting diode, bio-imaging luminescent markers and many other applications. For this purpose, efficient light emission/absorption and spectral tunability are
Fracchia, F.; Filippi, C.; Amovilli, C.
2012-01-01
We propose a new class of multideterminantal Jastrow–Slater wave functions constructed with localized orbitals and designed to describe complex potential energy surfaces of molecular systems for use in quantum Monte Carlo (QMC). Inspired by the generalized valence bond formalism, we elaborate a coup
Surface brightens up Si quantum dots: direct bandgap-like size-tunable emission
Dohnalova, K.; Poddubny, A.N.; Prokofiev, A.A.; Dam-de Boer, W.; Umesh, C.P.; Paulusse, J.M.J.; Zuilhof, H.; Gregorkiewicz, T.
2013-01-01
Colloidal semiconductor quantum dots (QDs) constitute a perfect material for ink-jet printable large area displays, photovoltaics, light-emitting diode, bio-imaging luminescent markers and many other applications. For this purpose, efficient light emission/absorption and spectral tunability are nece
Directory of Open Access Journals (Sweden)
Shu-Kun Lin
2009-10-01
Full Text Available Clusters hold the key to our understanding of intermolecular forces and how these affect the physical properties of bulk condensed matter. They can be found in a multitude of important applications, including novel fuel materials, atmospheric chemistry, semiconductors, nanotechnology, and computational biology. Focusing on the class of weakly bound substances known as van derWaals clusters or complexes, Stochastic Simulations of Clusters: Quantum Methods in Flat and Curved Spaces presents advanced quantum simulation techniques for condensed matter. [...
Charged vanadium-benzene multidecker clusters: DFT and quantum Monte Carlo study.
Tokár, K; Derian, R; Mitas, L; Štich, I
2016-02-14
Using explicitly correlated fixed-node quantum Monte Carlo and density functional theory (DFT) methods, we study electronic properties, ground-state multiplets, ionization potentials, electron affinities, and low-energy fragmentation channels of charged half-sandwich and multidecker vanadium-benzene systems with up to 3 vanadium atoms, including both anions and cations. It is shown that, particularly in anions, electronic correlations play a crucial role; these effects are not systematically captured with any commonly used DFT functionals such as gradient corrected, hybrids, and range-separated hybrids. On the other hand, tightly bound cations can be described qualitatively by DFT. A comparison of DFT and quantum Monte Carlo provides an in-depth understanding of the electronic structure and properties of these correlated systems. The calculations also serve as a benchmark study of 3d molecular anions that require a balanced many-body description of correlations at both short- and long-range distances.
Charged vanadium-benzene multidecker clusters: DFT and quantum Monte Carlo study
Energy Technology Data Exchange (ETDEWEB)
Tokár, K.; Derian, R. [Institute of Physics, CCMS, Slovak Academy of Sciences, 84511 Bratislava (Slovakia); Mitas, L. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202 (United States); Štich, I., E-mail: ivan.stich@savba.sk [Institute of Physics, CCMS, Slovak Academy of Sciences, 84511 Bratislava (Slovakia); Ruprecht A. Institute of Technology, Bratislava (Slovakia)
2016-02-14
Using explicitly correlated fixed-node quantum Monte Carlo and density functional theory (DFT) methods, we study electronic properties, ground-state multiplets, ionization potentials, electron affinities, and low-energy fragmentation channels of charged half-sandwich and multidecker vanadium-benzene systems with up to 3 vanadium atoms, including both anions and cations. It is shown that, particularly in anions, electronic correlations play a crucial role; these effects are not systematically captured with any commonly used DFT functionals such as gradient corrected, hybrids, and range-separated hybrids. On the other hand, tightly bound cations can be described qualitatively by DFT. A comparison of DFT and quantum Monte Carlo provides an in-depth understanding of the electronic structure and properties of these correlated systems. The calculations also serve as a benchmark study of 3d molecular anions that require a balanced many-body description of correlations at both short- and long-range distances.
The coupled-cluster approach to quantum many-body problem in a three-Hilbert-space reinterpretation
Bishop, Raymond F
2013-01-01
The quantum many-body bound-state problem in its computationally successful coupled cluster method (CCM) representation is reconsidered. In conventional practice one factorizes the ground-state wave functions $|\\Psi\\rangle= e^S |\\Phi\\rangle$ which live in the "physical" Hilbert space ${\\cal H}^{(P)}$ using an elementary ansatz for $|\\Phi\\rangle$ plus a formal expansion of $S$ in an operator basis of multi-configurational creation operators. In our paper a reinterpretation of the method is proposed. Using parallels between the CCM and the so called quasi-Hermitian, alias three-Hilbert-space (THS), quantum mechanics, the CCM transition from the known microscopic Hamiltonian (denoted by usual symbol $H$), which is self-adjoint in ${\\cal H}^{(P)}$, to its effective lower-case isospectral avatar $\\hat{h}=e^{-S} H e^S$, is assigned a THS interpretation. In the opposite direction, a THS-prescribed, non-CCM, innovative reinstallation of Hermiticity is shown to be possible for the CCM effective Hamiltonian $\\hat{h}$, ...
Formation of Fe Cluster Superlattice in a Metal-Organic Quantum-Box Network
Pivetta, Marina; Pacchioni, Giulia E.; Schlickum, Uta; Barth, Johannes V.; Brune, Harald
2013-01-01
We report on the self-assembly of Fe adatoms on a Cu(111) surface that is patterned by a metal-organic honeycomb network, formed by coordination of dicarbonitrile pentaphenyl molecules with Cu adatoms. Fe atoms landing on the metal surface are mobile and steered by the quantum confinement of the surface state electrons towards the center of the network hexagonal cavities. In cavities hosting more than one Fe, preferential interatomic distances are observed. The adatoms in each hexagon aggrega...
Energy Technology Data Exchange (ETDEWEB)
Stránský, Pavel [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic); Macek, Michal [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic); Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT 06520-8120 (United States); Leviatan, Amiram [Racah Institute of Physics, The Hebrew University, 91904 Jerusalem (Israel); Cejnar, Pavel, E-mail: pavel.cejnar@mff.cuni.cz [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic)
2015-05-15
This article extends our previous analysis Stránský et al. (2014) of Excited-State Quantum Phase Transitions (ESQPTs) in systems of dimension two. We focus on the oscillatory component of the quantum state density in connection with ESQPT structures accompanying a first-order ground-state transition. It is shown that a separable (integrable) system can develop rather strong finite-size precursors of ESQPT expressed as singularities in the oscillatory component of the state density. The singularities originate in effectively 1-dimensional dynamics and in some cases appear in multiple replicas with increasing excitation energy. Using a specific model example, we demonstrate that these precursors are rather resistant to proliferation of chaotic dynamics. - Highlights: • Oscillatory components of state density and spectral flow studied near ESQPTs. • Enhanced finite-size precursors of ESQPT caused by fully/partly separable dynamics. • These precursors appear due to criticality of a subsystem with lower dimension. • Separability-induced finite-size effects disappear in case of fully chaotic dynamics.
Signature of clustering in quantum many-body systems probed by the giant dipole resonance
Pandit, Deepak; Mondal, Debasish; Dey, Balaram; Bhattacharya, Srijit; Mukhopadhyay, S.; Pal, Surajit; De, A.; Banerjee, S. R.
2017-03-01
The present experimental study illustrates how large deformations attained by nuclei due to cluster formation are perceived through the giant dipole resonance (GDR) strength function. The high energy GDR γ rays have been measured from 32S at different angular momenta (J ) but similar temperatures in the reactions 4He(Elab=45 MeV )+28Si and 20Ne(Elab=145 MeV )+12C . The experimental data at lower J (˜10 ℏ ) suggests a normal deformation, similar to the ground state value, showing no potential signature of clustering. However, it is found that the GDR lineshape is fragmented into two prominent peaks at high J (˜20 ℏ ) providing a direct measurement of the large deformation developed in the nucleus. The observed lineshape is also completely different from the ones seen for Jacobi shape transition at high J pointing towards the formation of cluster structure in superdeformed states of 32S at such high spin. Thus, the GDR can be regarded as a unique tool to study cluster formation at high excitation energies and angular momenta.
Refined tropical curve counts and canonical bases for quantum cluster algebras
DEFF Research Database (Denmark)
Mandel, Travis
We express the (quantizations of the) Gross-Hacking-Keel-Kontsevich canonical bases for cluster algebras in terms of certain (Block-Göttsche) weighted counts of tropical curves. In the process, we obtain via scattering diagram techniques a new invariance result for these Block-Göttsche counts....
Refined tropical curve counts and canonical bases for quantum cluster algebras
DEFF Research Database (Denmark)
Mandel, Travis
We express the (quantizations of the) Gross-Hacking-Keel-Kontsevich canonical bases for cluster algebras in terms of certain (Block-Göttsche) weighted counts of tropical curves. In the process, we obtain via scattering diagram techniques a new invariance result for these Block-Göttsche counts....
Quantum Monte-Carlo programming for atoms, molecules, clusters, and solids
Energy Technology Data Exchange (ETDEWEB)
Schattke, Wolfgang [Kiel Univ. (Germany). Inst. of Theoretical Physics and Astrophysics; Ikerbasque Foundation/Donostia International Physics Center, San Sebastian (Spain); Diez Muino, Ricardo [Centro de Fisica de Materiales CSIC-UPV/EHU (Spain); Donostia International Physics Center, San Sebastian (Spain)
2013-11-01
This is a book that initiates the reader into the basic concepts and practical applications of Quantum Monte Carlo. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum Monte Carlo scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. In between, several intermediate steps are introduced, including the Hydrogen molecule (2 electrons), the Lithium atom (3 electrons) and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The book is unique, because it provides both theory and numerical programs. It pedagogically explains how to transfer into computational tools what is usually described in a theoretical textbook. It also includes the detailed physical understanding of methodology that cannot be found in a code manual. The combination of both aspects allows the reader to assimilate the fundamentals of Quantum Monte Carlo not only by reading but also by practice.
Quantum size effects in TiO_{2} thin films grown by atomic layer deposition
Massimo Tallarida; Chittaranjan Das; Dieter Schmeisser
2014-01-01
We study the atomic layer deposition of TiO2 by means of X-ray absorption spectroscopy. The Ti precursor, titanium isopropoxide, was used in combination with H2O on Si/SiO2 substrates that were heated at 200 °C. The low growth rate (0.15 Å/cycle) and the in situ characterization permitted to follow changes in the electronic structure of TiO2 in the sub-nanometer range, which are influenced by quantum size effects. The modified electronic properties may play an important role in charge carrier...
Xin, Yunzi; Kitasako, Takumi; Maeda, Makoto; Saitow, Ken-ichi
2017-04-01
Pulsed-laser ablation of silicon (Si) was conducted in six different organic solvents using a nanosecond laser. Si nanoparticles (Si-NPs) that exhibited blue photoluminescence (PL) were generated in all the solvents, but a significant solvent dependence emerged: particle size, PL spectra, and PL quantum yield (QY). The results of solvent dependence were well characterized using an atomic ratio in a solvent molecule. The highest QY was observed for the smallest Si-NPs (ca. 2 nm) synthesized in 1-octyne. The QY was enhanced by aging in 1-octyne, and its mechanism was attributed to alkyl passivation of dangling bonds on the Si-NPs.
Li, Shun; Ge, Zhen-Hua; Zhang, Bo-Ping; Yao, Yao; Wang, Huan-Chun; Yang, Jing; Li, Yan; Gao, Chao; Lin, Yuan-Hua
2016-10-01
We report a simple mechanochemical ball milling method for synthesizing monodisperse CuS quantum dots (QDs) with sizes as small as sub-5 nm. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and UV-vis spectroscopy. The CuS QDs exhibited excellent visible-light-driven photocatalytic activity and stability for degradation of Rodanmine B aqueous solution as Fenton-like reagents. Our study opens the opportunity to low-cost and facile synthesis of QDs in large scale for future industrial applications.
Indium clustering in a-plane InGaN quantum wells as evidenced by atom probe tomography
Energy Technology Data Exchange (ETDEWEB)
Tang, Fengzai; Zhu, Tongtong; Oehler, Fabrice; Fu, Wai Yuen; Griffiths, James T.; Massabuau, Fabien C.-P.; Kappers, Menno J.; Oliver, Rachel A., E-mail: rao28@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Martin, Tomas L.; Bagot, Paul A. J.; Moody, Michael P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)
2015-02-16
Atom probe tomography (APT) has been used to characterize the distribution of In atoms within non-polar a-plane InGaN quantum wells (QWs) grown on a GaN pseudo-substrate produced using epitaxial lateral overgrowth. Application of the focused ion beam microscope enabled APT needles to be prepared from the low defect density regions of the grown sample. A complementary analysis was also undertaken on QWs having comparable In contents grown on polar c-plane sample pseudo-substrates. Both frequency distribution and modified nearest neighbor analyses indicate a statistically non-randomized In distribution in the a-plane QWs, but a random distribution in the c-plane QWs. This work not only provides insights into the structure of non-polar a-plane QWs but also shows that APT is capable of detecting as-grown nanoscale clustering in InGaN and thus validates the reliability of earlier APT analyses of the In distribution in c-plane InGaN QWs which show no such clustering.
Institute of Scientific and Technical Information of China (English)
LI Jian; SONG Dan-Jie; GUO Xiao-Jing; JING Bo
2012-01-01
In order to transmit secure messages,a quantum secure direct communication protocol based on a five-particle cluster state and classical XOR operation is presented.The five-particle cluster state is used to detect eavesdroppers,and the classical XOR operation serving as a one-time-pad is used to ensure the security of the protocol.In the security analysis,the entropy theory method is introduced,and three detection strategies are compared quantitatively by using the constraint between the information that the eavesdroppers can obtain and the interference introduced.If the eavesdroppers intend to obtain all the information,the detection rate of the original ping-pong protocol is 50％; the second protocol,using two particles of the Einstein-PodolskyRosen pair as detection particles,is also 50％; while the presented protocol is 89％.Finally,the security of the proposed protocol is discussed,and the analysis results indicate that the protocol in this paper is more secure than the other two.