Extended Set Constraints and Tree Grammar Abstraction of Programs

DEFF Research Database (Denmark)

Rosendahl, Mads; Gallagher, John Patrick

2011-01-01

Set constraints are relations between sets of ground terms or trees. This paper presents two main contributions: firstly we consider an extension of the systems of set constraints to include a tuple constructor, and secondly we construct a simplified solution procedure for set constraints. We...

Atomic spectroscopy sympsoium, Gaithersburg, Maryland, September 23--26, 1975. [Program, abstracts, and author index

Energy Technology Data Exchange (ETDEWEB)

1975-01-01

Abstracts of one hundred papers given at the conference are presented along with the conference program and an author index. Session topics include: highly ionized atoms; laser spectroscopy and hyperfine structure; complex spectra; laser spectroscopy, radiation theory; theory of highly ionized atoms and analysis of plasmas; plasma spectroscopy, line strengths; spectral analysis, instrumentation, reference wavelengths; beam foil spectroscopy, line strengths, energy levels; absorption spectroscopy, autoionization, and related theory; and spectral analysis, instrumentation, and VUV physics. (GHT)

Constraint Logic Programming approach to protein structure prediction

Directory of Open Access Journals (Sweden)

Fogolari Federico

2004-11-01

Full Text Available Abstract Background The protein structure prediction problem is one of the most challenging problems in biological sciences. Many approaches have been proposed using database information and/or simplified protein models. The protein structure prediction problem can be cast in the form of an optimization problem. Notwithstanding its importance, the problem has very seldom been tackled by Constraint Logic Programming, a declarative programming paradigm suitable for solving combinatorial optimization problems. Results Constraint Logic Programming techniques have been applied to the protein structure prediction problem on the face-centered cube lattice model. Molecular dynamics techniques, endowed with the notion of constraint, have been also exploited. Even using a very simplified model, Constraint Logic Programming on the face-centered cube lattice model allowed us to obtain acceptable results for a few small proteins. As a test implementation their (known secondary structure and the presence of disulfide bridges are used as constraints. Simplified structures obtained in this way have been converted to all atom models with plausible structure. Results have been compared with a similar approach using a well-established technique as molecular dynamics. Conclusions The results obtained on small proteins show that Constraint Logic Programming techniques can be employed for studying protein simplified models, which can be converted into realistic all atom models. The advantage of Constraint Logic Programming over other, much more explored, methodologies, resides in the rapid software prototyping, in the easy way of encoding heuristics, and in exploiting all the advances made in this research area, e.g. in constraint propagation and its use for pruning the huge search space.

The energy dependence of selective hydrogen atom abstraction by H(D) atoms in the photolysis of neopentane - ethane mixtures at 77 K

International Nuclear Information System (INIS)

Miyazaki, T.; Fueki, K.

1980-01-01

Selective hydrogen - atom - abstraction reaction by H or D atom has been studied in a neo C 5 H 12 - C 2 H 6 (less than 1 mol %) mixture at 77 K by ESR spectroscopy. The H (or D) atom produced by the photolysis of HI (or DI) reacts with neo - C 2 H 12 and C 2 H 6 to form neo - C 5 H 11 and C 2 H 5 radicals. In order to obtain H atoms with different kinetic energies, the photolysis was performed with different lights of 313, 254 and 229 nm. The selective formation of the C 2 H 5 radical by the reaction of the H (or D) atom with C 2 H 6 becomes more effective with the decrease in the energy of the H (or D) atom. The formation of the neo - C 5 H 11 radical by the reaction of the H (or D) atom with neo - C 2 H 12 becomes more effective with the increase in the energy of the H (or D) atom. (A.R.H.) [pt

Prospects and constraints in biofouling control at Madras Atomic Power Plant: a historical perspective

International Nuclear Information System (INIS)

Azariah, Jayapaul; Nair, K.V.K.

1995-01-01

The paper describes the various aspects of Madras Atomic Power Station -its prospects and constraints in biofouling control. It reviews the achievements in biofouling control. It also includes current studies on barnacles and mussels, suspended particulate matter as an antifoulant, flow conditions and larval settlement and biofilm and larval adhesion along with recommendations. (V.R.). 21 refs

7. International symposium. Ural atomic, Ural industrial. Book of abstracts

International Nuclear Information System (INIS)

1999-01-01

Books of abstracts of 7. International ecological symposium: Ural atomic, Ural industrial are presented in this collection. The reports are devoted to the real problems over the next directions: consequences of radiation accidents for environment and human population, problems of atomic industry and energetics, radiation monitoring, radiation protection on natural radioactivity. There are criteria for estimation of ecological and social systems state, factors formed human health, risks in this publication. The methods of systems analysis in ecology, medicine and social sphere, as well as methodology, ecological examination and reason of projects and objects are taken into account, complex analysis of condition or quality of territories, industrial centers and regions (ecology, health, economy, standard and quality of living) are made. The works of the Ural research institutes of Russian Academy of Sciences in decision of ecological problems are shown. Certain materials obtained during realization of contract: Estimation of priorities on prevention of environmental contamination on Middle Urals, financed by European Community (project ISTC-500-98) are exhibited in this publication [ru

Unparticle physics constraints from the hydrogen atom

Energy Technology Data Exchange (ETDEWEB)

Wondrak, Michael Florian; Nicolini, Piero; Bleicher, Marcus [Frankfurt Institute for Advanced Studies (FIAS), Frankfurt am Main (Germany); Institut fuer Theoretische Physik, Johann Wolfgang Goethe-Universitaet Frankfurt am Main, Frankfurt am Main (Germany)

2016-07-01

Unparticle stuff has been proposed as an extension of the Standard Model of particle physics by including scale invariant fields. In the framework of effective field theory, it describes the low-energy limit of a so-called Banks-Zaks sector which exhibits scale invariance below an energy scale Λ{sub U}. Unparticle fields are characterized by a non-integer canonical scaling dimension d{sub U}, which leads to unusual properties like resembling a fractional number of (un)particles. The existence of unparticle stuff may be detected experimentally through the interaction with conventional matter. After a review on the unparticle theory and the static potential due to virtual unparticle exchange, we focus on its impact on hydrogen atom energy levels. We obtain the energy shift of the ground state by using Rayleigh-Schroedinger perturbation theory and compare it with experimental data. In this way, bounds on the energy scale Λ{sub U} as a function of d{sub U} are derived. Finally, we offer a comparison with existing constraints in literature like the lepton magnetic anomaly. For some parameter regimes, the hydrogen bound provides competitive results.

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

Science.gov (United States)

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Constraint-based reachability

Directory of Open Access Journals (Sweden)

Arnaud Gotlieb

2013-02-01

Full Text Available Iterative imperative programs can be considered as infinite-state systems computing over possibly unbounded domains. Studying reachability in these systems is challenging as it requires to deal with an infinite number of states with standard backward or forward exploration strategies. An approach that we call Constraint-based reachability, is proposed to address reachability problems by exploring program states using a constraint model of the whole program. The keypoint of the approach is to interpret imperative constructions such as conditionals, loops, array and memory manipulations with the fundamental notion of constraint over a computational domain. By combining constraint filtering and abstraction techniques, Constraint-based reachability is able to solve reachability problems which are usually outside the scope of backward or forward exploration strategies. This paper proposes an interpretation of classical filtering consistencies used in Constraint Programming as abstract domain computations, and shows how this approach can be used to produce a constraint solver that efficiently generates solutions for reachability problems that are unsolvable by other approaches.

US-Japan workshop on atomic collisions in solids: Abstracts of lectures

International Nuclear Information System (INIS)

1990-03-01

This report contains abstracts on the following topics: techniques of scanning probe microscopy; new types of radiation; a search for wake-riding electrons using slow antiproton beams; antiproton wake: theory; bending of swift ion beams by graphite foils; angular momentum distribution of autoionizing rydberg states: produced by 64 MeV S ions in collisions with C foils; multiphonon energy exchange in atom-surface collisions; plans for positron experiments; resonant coherent excitation: experiment; line shapes in resonant coherent excitation: theory; MUSE experiments and Monte Carlo simulation; inelastic interactions of electrons and positrons with solids; density fluctuation detection; cluster-impact fusion; a model for cluster-impact fusion; thoughts on cold fusion; and plasmon decay

The Ninth International scientific and technical conference Safety, efficiency and economy of atomic energy. Book of abstracts

International Nuclear Information System (INIS)

2014-01-01

The abstracts of the Ninth International scientific and technical conference Safety, efficiency and economy of atomic energy are present. The conference took place in Moscow, 21-23 May, 2014. The problems of WWER, RBMK, BN and EhGP-6 NPPs operation, maintenance and repair; materials testing and metallic structures control; radioactive wastes and spent fuel management; NPP decommissioning; radiation safety, NPP ecology, emergency preparedness were discussed on the conference. The great attention was paid to the problems of atomic energy economy and its developing, international cooperation for NPP safety and young NPP specialists training [ru

Constraint Specialisation in Horn Clause Verification

DEFF Research Database (Denmark)

Kafle, Bishoksan; Gallagher, John Patrick

2015-01-01

We present a method for specialising the constraints in constrained Horn clauses with respect to a goal. We use abstract interpretation to compute a model of a query-answer transformation of a given set of clauses and a goal. The effect is to propagate the constraints from the goal top......-down and propagate answer constraints bottom-up. Our approach does not unfold the clauses at all; we use the constraints from the model to compute a specialised version of each clause in the program. The approach is independent of the abstract domain and the constraints theory underlying the clauses. Experimental...

Constraint specialisation in Horn clause verification

DEFF Research Database (Denmark)

Kafle, Bishoksan; Gallagher, John Patrick

2017-01-01

We present a method for specialising the constraints in constrained Horn clauses with respect to a goal. We use abstract interpretation to compute a model of a query–answer transformed version of a given set of clauses and a goal. The constraints from the model are then used to compute...... a specialised version of each clause. The effect is to propagate the constraints from the goal top-down and propagate answer constraints bottom-up. The specialisation procedure can be repeated to yield further specialisation. The approach is independent of the abstract domain and the constraint theory...

Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation.

Science.gov (United States)

Zhou, Chong-Wen; Simmie, John M; Somers, Kieran P; Goldsmith, C Franklin; Curran, Henry J

2017-03-09

Hydrogen atom abstraction from allylic C-H bonds by molecular oxygen plays a very important role in determining the reactivity of fuel molecules having allylic hydrogen atoms. Rate constants for hydrogen atom abstraction by molecular oxygen from molecules with allylic sites have been calculated. A series of molecules with primary, secondary, tertiary, and super secondary allylic hydrogen atoms of alkene, furan, and alkylbenzene families are taken into consideration. Those molecules include propene, 2-butene, isobutene, 2-methylfuran, and toluene containing the primary allylic hydrogen atom; 1-butene, 1-pentene, 2-ethylfuran, ethylbenzene, and n-propylbenzene containing the secondary allylic hydrogen atom; 3-methyl-1-butene, 2-isopropylfuran, and isopropylbenzene containing tertiary allylic hydrogen atom; and 1-4-pentadiene containing super allylic secondary hydrogen atoms. The M06-2X/6-311++G(d,p) level of theory was used to optimize the geometries of all of the reactants, transition states, products and also the hinder rotation treatments for lower frequency modes. The G4 level of theory was used to calculate the electronic single point energies for those species to determine the 0 K barriers to reaction. Conventional transition state theory with Eckart tunnelling corrections was used to calculate the rate constants. The comparison between our calculated rate constants with the available experimental results from the literature shows good agreement for the reactions of propene and isobutene with molecular oxygen. The rate constant for toluene with O 2 is about an order magnitude slower than that experimentally derived from a comprehensive model proposed by Oehlschlaeger and coauthors. The results clearly indicate the need for a more detailed investigation of the combustion kinetics of toluene oxidation and its key pyrolysis and oxidation intermediates. Despite this, our computed barriers and rate constants retain an important internal consistency. Rate constants

5. International workshop on autoionization phenomena in atoms. Abstracts

International Nuclear Information System (INIS)

Balashov, V.V.

1995-01-01

Summaries of the reports presented at the 5 International Workshop on Autoionization Phenomena in Atoms (Dubna, 12-14 December 1995). The main topics of these 53 reports are the following ones: photoexcitation of autoionizing states in atoms and ions, autoionization in electron-atom collisions, autoionization in heavy particle collisions, coincidence experiments in autoionization studies, investigations of autoionizing states with lasers and wave functions and decay characteristics of autoionizing states

Atomic physics constraints on the X boson

Science.gov (United States)

Jentschura, Ulrich D.; Nándori, István

2018-04-01

Recently, a peak in the light fermion pair spectrum at invariant q2≈(16.7MeV ) 2 has been observed in the bombardment of 7Li by protons. This peak has been interpreted in terms of a protophobic interaction of fermions with a gauge boson (X boson) of invariant mass ≈16.7 MeV which couples mainly to neutrons. High-precision atomic physics experiments aimed at observing the protophobic interaction need to separate the X boson effect from the nuclear-size effect, which is a problem because of the short range of the interaction (11.8 fm), which is commensurate with a "nuclear halo." Here we analyze the X boson in terms of its consequences for both electronic atoms as well as muonic hydrogen and deuterium. We find that the most promising atomic systems where the X boson has an appreciable effect, distinguishable from a finite-nuclear-size effect, are muonic atoms of low and intermediate nuclear charge numbers.

Learning and Parallelization Boost Constraint Search

Science.gov (United States)

Yun, Xi

2013-01-01

Constraint satisfaction problems are a powerful way to abstract and represent academic and real-world problems from both artificial intelligence and operations research. A constraint satisfaction problem is typically addressed by a sequential constraint solver running on a single processor. Rather than construct a new, parallel solver, this work…

Molecular beam scattering experiments on the abstraction and exchange reactions of deuterium atoms with the hydrogen halides HCl, HBr, and HI

International Nuclear Information System (INIS)

Bauer, W.; Rusin, L.Y.; Toennies, J.P.

1978-01-01

Molecular beam scattering experiments have been carried out on the abstraction and exchange reactions of deuterium atoms (T=2600 K) with the hydrogen halides HX(T=300 K) in the range of scattering angles: 0 0 0 (theta/sub cm/=0 0 is the direction of the incident D-atom beam). The apparatus employed a very sensitive electron bombardment detector with a sufficiently low H 2 background to make possible the measurement of differential cross sections of about 0.1 A 2 /sr for reactively scattered HD and H and nonreactively scattered D-atoms. The measured HD signal can be largely attributed to various background sources and only serves to establish a rough upper limit on the abstraction cross section in the angular range investigated. The H-atom signal was more intense. The observed angular distribution was forward peaked, and is attributed to the exchange reaction. The nonreactively scattered D-atom signal was used in conjunction with a recently reported effective spherically symmetric potential to provide an absolute calibration of the detector sensitivity. The measured integral cross sections for the exchange reactions are 2.3 A 2 (D+HCl), 1.3 A 2 (D+HBr) and 1.6 A 2 (D+HI) with an estimated error of about +- 30%. The absolute cross sections and the H-atom angular distributions are consistent with the DX distributions measured by McDonald and Herschbach. Both experimental angular distributions are considerably narrower than those predicted by the recent classical trajectory calculations of Raff, Suzukawa, and Thompson. The implications of the new data for the activation energies for the exchange reactions are discussed

Investigation of odd-order nonlinear susceptibilities in atomic vapors

Energy Technology Data Exchange (ETDEWEB)

Yan, Yaqi [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Shaanxi Key Laboratory of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Teaching and Research Section of Maths and Physics, Guangzhou Commanding Academy of Chinese People’s Armed Police Force, Guangzhou, 510440 (China); Wu, Zhenkun; Si, Jinhai; Yan, Lihe; Zhang, Yiqi; Yuan, Chenzhi; Sun, Jia [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Shaanxi Key Laboratory of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Zhang, Yanpeng, E-mail: ypzhang@mail.xjtu.edu.cn [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Shaanxi Key Laboratory of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China)

2013-06-15

We theoretically deduce the macroscopic symmetry constraints for arbitrary odd-order nonlinear susceptibilities in homogeneous media including atomic vapors for the first time. After theoretically calculating the expressions using a semiclassical method, we demonstrate that the expressions for third- and fifth-order nonlinear susceptibilities for undressed and dressed four- and six-wave mixing (FWM and SWM) in atomic vapors satisfy the macroscopic symmetry constraints. We experimentally demonstrate consistence between the macroscopic symmetry constraints and the semiclassical expressions for atomic vapors by observing polarization control of FWM and SWM processes. The experimental results are in reasonable agreement with our theoretical calculations. -- Highlights: •The macroscopic symmetry constraints are deduced for homogeneous media including atomic vapors. •We demonstrate that odd-order nonlinear susceptibilities satisfy the constraints. •We experimentally demonstrate the deduction in part.

Constraints on T-odd and P-even hadronic interactions from nucleon, nuclear, and atomic electric dipole moments

International Nuclear Information System (INIS)

Haxton, W.C.; Hoering, A.; Musolf, M.J.; Old Dominion Univ., Norfolk, VA

1994-01-01

We deduce constraints on time-reversal-noninvariant (TRNI), parity-conserving (PC) hadronic interactions from nucleon, nuclear, and atomic electric dipole moment (edm) limits. Such interactions generate edm's through weak radiative corrections. We consider long-ranged mechanisms, i.e., those mediated by meson exchanges in contrast to short-range two-loop mechanisms. We find that the ratio of typical TRNI. PC nuclear matrix elements to those of the strong interaction are approx-lt 10 -5 , a limit about two orders of magnitude more stringent than those from direct detailed balance studies of such interactions

Specifying Dynamic and Deontic Integrity Constraints

NARCIS (Netherlands)

Wieringa, Roelf J.; Meyer, John-Jules; Weigand, Hans

In the dominant view of knowledge bases (KB's), a KB is a set of facts (atomic sentences) and integrity constraints (IC's). An IC is then a sentence which must at least be consistent with the other sentences in the KB, This view obliterates the distinction between, for example, the constraint that

IRAP 2006, Book of Abstracts

International Nuclear Information System (INIS)

2006-01-01

This publications related with Hacettepe University, Turkish Atomic Energy Authority, The Scientific and Technological Research Council of Turkey, International Atomic Energy Agency, CEA-Saclay, CEA-Saclay Drecam, ANKAmall Shopping Center and Ion Beam Applications Industrial that was held in Antalya, Turkey, 23-28 September 2006. A separate abstract was prepared for each paper

IRAP 2006, Book of Abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2006-07-01

This publications related with Hacettepe University, Turkish Atomic Energy Authority, The Scientific and Technological Research Council of Turkey, International Atomic Energy Agency, CEA-Saclay, CEA-Saclay Drecam, ANKAmall Shopping Center and Ion Beam Applications Industrial that was held in Antalya, Turkey, 23-28 September 2006. A separate abstract was prepared for each paper.

Constraints on CP violating four-fermion interactions

International Nuclear Information System (INIS)

He, X.G.; McKellar, B.

1996-04-01

It has been shown that CP violating electron-nucleon and nucleon-nucleon interactions can induce atomic electric dipole moments and are therefore constrained from experimental data. We show that using the experimental upper bounds on neutron and electron electric dipole moments, one can also obtain constraints, in some cases better ones, on these interactions. In addition stringent constraints can also be obtained for muon-quark and tauon-quark four-fermion CP violating interactions, which cannot be constrained from atomic electric dipole moment experiments. 12 refs., 2 tabs., 1 fig

Safety Verification of Hybrid Systems by Constraint Propagation-based Abstraction Refinement

Czech Academy of Sciences Publication Activity Database

Ratschan, Stefan; She, Z.

2007-01-01

Roč. 6, č. 1 (2007), Article-8 ISSN 1539-9087 Institutional research plan: CEZ:AV0Z10300504 Keywords : hybrid system s * constraint propagation * intervals Subject RIV: IN - Informatics, Computer Science

Abstract Interpretation of Mobile Ambients

DEFF Research Database (Denmark)

Hansen, René Rydhof; Jensen, J. G.; Nielson, Flemming

1999-01-01

We demonstrate that abstract interpretation is useful for analysing calculi of computation such as the ambient calculus (which is based on the p-calculus); more importantly, we show that the entire development can be expressed in a constraint-based formalism that is becoming exceedingly popular...

On Lifecycle Constraints of Artifact-Centric Workflows

Science.gov (United States)

Kucukoguz, Esra; Su, Jianwen

Data plays a fundamental role in modeling and management of business processes and workflows. Among the recent "data-aware" workflow models, artifact-centric models are particularly interesting. (Business) artifacts are the key data entities that are used in workflows and can reflect both the business logic and the execution states of a running workflow. The notion of artifacts succinctly captures the fluidity aspect of data during workflow executions. However, much of the technical dimension concerning artifacts in workflows is not well understood. In this paper, we study a key concept of an artifact "lifecycle". In particular, we allow declarative specifications/constraints of artifact lifecycle in the spirit of DecSerFlow, and formulate the notion of lifecycle as the set of all possible paths an artifact can navigate through. We investigate two technical problems: (Compliance) does a given workflow (schema) contain only lifecycle allowed by a constraint? And (automated construction) from a given lifecycle specification (constraint), is it possible to construct a "compliant" workflow? The study is based on a new formal variant of artifact-centric workflow model called "ArtiNets" and two classes of lifecycle constraints named "regular" and "counting" constraints. We present a range of technical results concerning compliance and automated construction, including: (1) compliance is decidable when workflow is atomic or constraints are regular, (2) for each constraint, we can always construct a workflow that satisfies the constraint, and (3) sufficient conditions where atomic workflows can be constructed.

Nuclear spin content and constraints on exotic spin-dependent couplings

International Nuclear Information System (INIS)

Kimball, D F Jackson

2015-01-01

There are numerous recent and ongoing experiments employing a variety of atomic species to search for couplings of atomic spins to exotic fields. In order to meaningfully compare these experimental results, the coupling of the exotic field to the atomic spin must be interpreted in terms of the coupling to electron, proton, and neutron spins. Traditionally, constraints from atomic experiments on exotic couplings to neutron and proton spins have been derived using the single-particle Schmidt model for nuclear spin. In this model, particular atomic species are sensitive to either neutron or proton spin couplings, but not both. More recently, semi-empirical models employing nuclear magnetic moment data have been used to derive new constraints for non-valence nucleons. However, comparison of such semi-empirical models to detailed large-scale nuclear shell model calculations and analysis of known physical effects in nuclei show that existing semi-empirical models cannot reliably be used to predict the spin polarization of non-valence nucleons. The results of our re-analysis of nuclear spin content are applied to searches for exotic long-range monopole–dipole and dipole–dipole couplings of nuclei leading to significant revisions of some published constraints. (paper)

Selective hydrogen atom abstraction by hydrogen atoms in photolysis of cyclohexane-normal pentane mixtures at 77 K

International Nuclear Information System (INIS)

Miyazaky, T.; Guedes, S.M.L.; Andrade e Silva, L.G. de; Fernandes, L.

1977-01-01

The reaction of H atoms, produced by the photolysis of HI, has been studied in c-C 6 H 12 -n-C 5 H 12 mixtures at 77K. H atoms in c-C 6 H 12 matrix react more effectively with solute n-C 5 H 12 than solvent c-C 6 H 12 , while H atoms in n-C 5 H 12 matrix react more effectively with solute c-C 6 H 12 than solvent n-C 5 H 12 [pt

Constraint Logic Programming approach to protein structure prediction.

Science.gov (United States)

Dal Palù, Alessandro; Dovier, Agostino; Fogolari, Federico

2004-11-30

The protein structure prediction problem is one of the most challenging problems in biological sciences. Many approaches have been proposed using database information and/or simplified protein models. The protein structure prediction problem can be cast in the form of an optimization problem. Notwithstanding its importance, the problem has very seldom been tackled by Constraint Logic Programming, a declarative programming paradigm suitable for solving combinatorial optimization problems. Constraint Logic Programming techniques have been applied to the protein structure prediction problem on the face-centered cube lattice model. Molecular dynamics techniques, endowed with the notion of constraint, have been also exploited. Even using a very simplified model, Constraint Logic Programming on the face-centered cube lattice model allowed us to obtain acceptable results for a few small proteins. As a test implementation their (known) secondary structure and the presence of disulfide bridges are used as constraints. Simplified structures obtained in this way have been converted to all atom models with plausible structure. Results have been compared with a similar approach using a well-established technique as molecular dynamics. The results obtained on small proteins show that Constraint Logic Programming techniques can be employed for studying protein simplified models, which can be converted into realistic all atom models. The advantage of Constraint Logic Programming over other, much more explored, methodologies, resides in the rapid software prototyping, in the easy way of encoding heuristics, and in exploiting all the advances made in this research area, e.g. in constraint propagation and its use for pruning the huge search space.

Investigation of polar and stereoelectronic effects on pure excited-state hydrogen atom abstractions from phenols and alkylbenzenes.

Science.gov (United States)

Pischel, Uwe; Patra, Digambara; Koner, Apurba L; Nau, Werner M

2006-01-01

The fluorescence quenching of singlet-excited 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by 22 phenols and 12 alkylbenzenes has been investigated. Quenching rate constants in acetonitrile are in the range of 10(8)-10(9) M(-1)s(-1) for phenols and 10(5)-10(6) M(-1)s(-1) for alkylbenzenes. In contrast to the quenching of triplet-excited benzophenone, no exciplexes are involved, so that a pure hydrogen atom transfer is proposed as quenching mechanism. This is supported by (1) pronounced deuterium isotope effects (kH/kD ca 4-6), which were observed for phenols and alkylbenzenes, and (2) a strongly endergonic thermodynamics for charge transfer processes (electron transfer, exciplex formation). In the case of phenols, linear free energy relationships applied, which led to a reaction constant of rho = -0.40, suggesting a lower electrophilicity of singlet-excited DBO than that of triplet-excited ketones and alkoxyl radicals. The reactivity of singlet-excited DBO exposes statistical, steric, polar and stereoelectronic effects on the hydrogen atom abstraction process in the absence of complications because of competitive exciplex formation.

Abstract Interpretation-based verification/certification in the ciaoPP system

OpenAIRE

Puebla Sánchez, Alvaro Germán; Albert Albiol, Elvira; Hermenegildo, Manuel V.

2005-01-01

CiaoPP is the abstract interpretation-based preprocessor of the Ciao multi-paradigm (Constraint) Logic Programming system. It uses modular, incremental abstract interpretation as a fundamental tool to obtain information about programs. In CiaoPP, the semantic approximations thus produced have been applied to perform high- and low-level optimizations during program compilation, including transformations such as múltiple abstract specialization, parallelization, partial evaluation, resource...

Abstraction and art.

Science.gov (United States)

Gortais, Bernard

2003-07-29

In a given social context, artistic creation comprises a set of processes, which relate to the activity of the artist and the activity of the spectator. Through these processes we see and understand that the world is vaster than it is said to be. Artistic processes are mediated experiences that open up the world. A successful work of art expresses a reality beyond actual reality: it suggests an unknown world using the means and the signs of the known world. Artistic practices incorporate the means of creation developed by science and technology and change forms as they change. Artists and the public follow different processes of abstraction at different levels, in the definition of the means of creation, of representation and of perception of a work of art. This paper examines how the processes of abstraction are used within the framework of the visual arts and abstract painting, which appeared during a period of growing importance for the processes of abstraction in science and technology, at the beginning of the twentieth century. The development of digital platforms and new man-machine interfaces allow multimedia creations. This is performed under the constraint of phases of multidisciplinary conceptualization using generic representation languages, which tend to abolish traditional frontiers between the arts: visual arts, drama, dance and music.

Low-level radioactive waste from commercial nuclear reactors. Volume 3. Bibliographic abstracts of significant source references. Part 2. Bibliography for treatment, storage, disposal and transportation regulatory constraints

Energy Technology Data Exchange (ETDEWEB)

Jolley, R.L.; Rodgers, B.R.

1986-05-01

The overall task of this program was to provide an assessment of currently available technology for treating commercial low-level radioactive waste (LLRW), to initiate development of a methodology for choosing one technology for a given application, and to identify research needed to improve current treatment techniques and decision methodology. The resulting report is issued in four volumes. Volume 3 of this series is a collection of abstracts of most of the reference documents used for this study. Because of the large volume of literature, the abstracts have been printed in two separate parts. Federal, state, and local regulations affect the decision process for selecting technology applications. Regulations may favor a particular technology and may prevent application of others. Volume 3, part 2 presents abstracts of the regulatory constraint documents that relate to all phases of LLRW management (e.g., treatment, packaging, storage, transportation, and disposal).

Atomic Color Superfluid via Three-Body Loss

International Nuclear Information System (INIS)

Kantian, A.; Diehl, S.; Zoller, P.; Daley, A. J.; Dalmonte, M.; Hofstetter, W.

2009-01-01

Large three-body loss rates in a three-component Fermi gas confined in an optical lattice can dynamically prevent atoms from tunneling so as to occupy a lattice site with three atoms. This effective constraint not only suppresses the occurrence of actual loss events, but stabilizes BCS-pairing phases by suppressing the formation of trions. We study the effect of the constraint on the many-body physics using bosonization and density matrix renormalization group techniques, and also investigate the full dissipative dynamics including loss for the example of 6 Li.

Atomic Physics 16: Sixteenth International Conference on Atomic Physics. Proceedings

International Nuclear Information System (INIS)

Baylis, W.E.; Drake, G.W.

1999-01-01

These proceedings represent papers presented at the 16th International Conference on Atomic Physics held in Windsor, Ontario, Canada, in August, 1998. The topics discussed included a wide array of subjects in atomic physics such as atom holography, alignment in atomic collisions, coulomb-interacting particles, muon experiments, x-rays from comets, atomic electron collisions in intense laser fields, spectroscopy of trapped ions, and Bose-Einstein condensates. This conference represents the single most important meeting world wide on fundamental advances in atomic physics. There were 30 papers presented at the conference,out of which 4 have been abstracted for the Energy, Science and Technology database

Generation and exploration of aggregation abstractions for scheduling and resource allocation

Science.gov (United States)

Lowry, Michael R.; Linden, Theodore A.

1993-01-01

This paper presents research on the abstraction of computational theories for scheduling and resource allocation. The paper describes both theory and methods for the automated generation of aggregation abstractions and approximations in which detailed resource allocation constraints are replaced by constraints between aggregate demand and capacity. The interaction of aggregation abstraction generation with the more thoroughly investigated abstractions of weakening operator preconditions is briefly discussed. The purpose of generating abstract theories for aggregated demand and resources includes: answering queries about aggregate properties, such as gross feasibility; reducing computational costs by using the solution of aggregate problems to guide the solution of detailed problems; facilitating reformulating theories to approximate problems for which there are efficient problem-solving methods; and reducing computational costs of scheduling by providing more opportunities for variable and value-ordering heuristics to be effective. Experiments are being developed to characterize the properties of aggregations that make them cost effective. Both abstract and concrete theories are represented in a variant of first-order predicate calculus, which is a parameterized multi-sorted logic that facilitates specification of large problems. A particular problem is conceptually represented as a set of ground sentences that is consistent with a quantified theory.

MatrixPlot: visualizing sequence constraints

DEFF Research Database (Denmark)

Gorodkin, Jan; Stærfeldt, Hans Henrik; Lund, Ole

1999-01-01

MatrixPlot: visualizing sequence constraints. Sub-title Abstract Summary : MatrixPlot is a program for making high-quality matrix plots, such as mutual information plots of sequence alignments and distance matrices of sequences with known three-dimensional coordinates. The user can add information...

9th Czechoslovak spectroscopic conference with international participation. Abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-07-01

Out of 120 short communications contained in the book of abstracts, 19 were inputted to the INIS system. The topics covered include applications of Moessbauer spectroscopy, X-ray fluorescence analysis, atomic absorption spectroscopy, atomic emission spectroscopy, and PIXE analysis in quantitative chemical analysis. (Z.S.).

9th Czechoslovak spectroscopic conference with international participation. Abstracts

International Nuclear Information System (INIS)

1995-01-01

Out of 120 short communications contained in the book of abstracts, 19 were inputted to the INIS system. The topics covered include applications of Moessbauer spectroscopy, X-ray fluorescence analysis, atomic absorption spectroscopy, atomic emission spectroscopy, and PIXE analysis in quantitative chemical analysis. (Z.S.)

Crack-tip constraint analyses and constraint-dependent LBB curves for circumferential through-wall cracked pipes

Energy Technology Data Exchange (ETDEWEB)

Chen, Y.L.; Wang, G.Z., E-mail: gzwang@ecust.edu.cn; Xuan, F.Z.; Tu, S.T.

2015-04-15

Highlights: • Solution of constraint parameter τ* for through-wall cracked pipes has been obtained. • Constraint increases with increasing crack length and radius–thickness ratio of pipes. • Constraint-dependent LBB curve for through-wall cracked pipes has been constructed. • For increasing accuracy of LBB assessments, constraint effect should be considered. - Abstract: The leak-before-break (LBB) concept has been widely applied in the structural integrity assessments of pressured pipes in nuclear power plants. However, the crack-tip constraint effects in LBB analyses and designs cannot be incorporated. In this paper, by using three-dimensional finite element calculations, the modified load-independent T-stress constraint parameter τ* for circumferential through-wall cracked pipes with different geometries and crack sizes has been analyzed under different loading conditions, and the solutions of the crack-tip constraint parameter τ* have been obtained. Based on the τ* solutions and constraint-dependent J–R curves of a steel, the constraint-dependent LBB (leak-before-break) curves have been constructed. The results show that the constraint τ* increases with increasing crack length θ, mean radius R{sub m} and radius–thickness ratio R{sub m}/t of the pipes. In LBB analyses, the critical crack length calculated by the J–R curve of the standard high constraint specimen for pipes with shorter cracks is over-conservative, and the degree of conservatism increases with decreasing crack length θ, R{sub m} and R{sub m}/t. Therefore, the constraint-dependent LBB curves should be constructed to modify the over-conservatism and increase accuracy of LBB assessments.

institutional and resource constraints that inhibit contractor ...

African Journals Online (AJOL)

p2333147

Keywords: Institutions; small-scale contractor performance; sugar industry. ABSTRACT ..... diverse cultural settings, women, specifically widowed or single women, have a .... constraints on business growth, such as the work limitations placed.

Abstraction of iodine from aromatic iodides by alkyl radicals: steric and electronic effects.

Science.gov (United States)

Dolenc, Darko; Plesnicar, Bozo

2006-10-13

Abstraction of the iodine atom from aryl iodides by alkyl radicals takes place in some cases very efficiently despite the unfavorable difference in bond dissociation energies of C-I bonds in alkyl and aryl iodides. The abstraction is most efficient in iodobenzenes, ortho-substituted with bulky groups. The ease of abstraction can be explained by the release of steric strain during the elimination of the iodine atom. The rate of abstraction correlates fairly well with the strain energy, calculated by density functional theory (DFT) and Hartree-Fock (HF) methods as a difference in the total energy of ortho and para isomers. However, besides the steric bulk, the presence of some other functional groups in an ortho substituent also influences the rate. The stabilization of the transition state, resembling a 9-I-2 iodanyl radical, by electron-withdrawing groups seems to explain a positive sign of the Hammett rho value in the radical abstraction of halogen atoms.

Abstract knowledge versus direct experience in processing of binomial expressions.

Science.gov (United States)

Morgan, Emily; Levy, Roger

2016-12-01

We ask whether word order preferences for binomial expressions of the form A and B (e.g. bread and butter) are driven by abstract linguistic knowledge of ordering constraints referencing the semantic, phonological, and lexical properties of the constituent words, or by prior direct experience with the specific items in questions. Using forced-choice and self-paced reading tasks, we demonstrate that online processing of never-before-seen binomials is influenced by abstract knowledge of ordering constraints, which we estimate with a probabilistic model. In contrast, online processing of highly frequent binomials is primarily driven by direct experience, which we estimate from corpus frequency counts. We propose a trade-off wherein processing of novel expressions relies upon abstract knowledge, while reliance upon direct experience increases with increased exposure to an expression. Our findings support theories of language processing in which both compositional generation and direct, holistic reuse of multi-word expressions play crucial roles. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Ultratrace determination of tin by hydride generation in-atomizer trapping atomic absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Průša, Libor [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic); Charles University in Prague, Faculty of Science, Department of Analytical Chemistry, Hlavova 8, Prague 2, CZ 128 43 Czech Republic (Czech Republic); Dědina, Jiří [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic); Kratzer, Jan, E-mail: jkratzer@biomed.cas.cz [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic)

2013-12-04

Graphical abstract: -- Highlights: •In-atomizer trapping HG-AAS was optimized for Sn. •A compact quartz trap-and-atomizer device was employed. •Generation, preconcentration and atomization steps were investigated in detail. •Hundred percent preconcentration efficiency for tin was reached. •Routine analytical method was developed for Sn determination (LOD of 0.03 ng mL{sup −1} Sn). -- Abstract: A quartz multiatomizer with its inlet arm modified to serve as a trap (trap-and-atomizer device) was employed to trap tin hydride and subsequently to volatilize collected analyte species with atomic absorption spectrometric detection. Generation, atomization and preconcentration conditions were optimized and analytical figures of merit of both on-line atomization as well as preconcentration modes were quantified. Preconcentration efficiency of 95 ± 5% was found. The detection limits reached were 0.029 and 0.14 ng mL{sup −1} Sn, respectively, for 120 s preconcentration period and on-line atomization mode without any preconcentration. The interference extent of other hydride forming elements (As, Se, Sb and Bi) on tin determination was found negligible in both modes of operation. The applicability of the developed preconcentration method was verified by Sn determination in a certified reference material as well as by analysis of real samples.

Metal atom oxidation laser

International Nuclear Information System (INIS)

Jensen, R.J.; Rice, W.W.; Beattie, W.H.

1975-01-01

A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides

Control-flow analysis of function calls and returns by abstract interpretation

DEFF Research Database (Denmark)

Midtgaard, Jan; Jensen, Thomas P.

2012-01-01

Abstract interpretation techniques are used to derive a control-flow analysis for a simple higher-order functional language. The analysis approximates the interprocedural control-flow of both function calls and returns in the presence of first-class functions and tail-call optimization. In additi...... a rational reconstruction of a constraint-based CFA from abstract interpretation principles....

Bohmian picture of Rydberg atoms

Indian Academy of Sciences (India)

Abstract. Unlike the previous theoretical results based on standard quantum mechanics that established the nearly elliptical shapes for the centre-of-mass motion in Rydberg atoms using numerical simulations, we show analytically that the Bohmian trajectories in Rydberg atoms are nearly elliptical.

F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes?

International Nuclear Information System (INIS)

Li Jilai; Geng Caiyun; Huang Xuri; Zhan Jinhui; Sun Chiachung

2006-01-01

The reactions of atomic radical F and Cl with acetylene have been studied theoretically using ab initio quantum chemistry methods and transition state theory. The doublet potential energy surfaces were calculated at the CCSD(T)/aug-cc-pVDZ//CCSD/6-31G(d,p), CCSD(T)/aug-cc-pVDZ//UMP2/6-311++G(d,p) and compound method Gaussian-3 levels. Two reaction mechanisms including the addition-elimination and the hydrogen abstraction reaction mechanisms are considered. In the addition-elimination reactions, the halogen atoms approach C 2 H 2 , perpendicular to the C≡C triple bond, forming the pre-reactive complex C1 at the reaction entrance. C1 transforms to intermediate isomer I1 via transition state TSC1/1 with a negative/small barrier for C 2 H 2 F/C 2 H 2 Cl system, which can proceed by further eliminating H atom endothermally. While the hydrogen abstraction reactions also involve C1 for the fluorine atom abstraction of hydrogen, yet the hydrogen abstraction by chlorine atom first forms a collinear hydrogen-bonded complex C2. The other reaction pathways on the doublet PES are less competitive due to thermodynamical or kinetic factors. According to our results, the presence of pre-reactive complexes indicates that the simple hydrogen abstraction and addition in the halogen atoms reaction with unsaturated hydrocarbon should be more complex. Furthermore, based on the analysis of the kinetics of all channels through which the addition and abstraction reactions proceed, we expect that the actual feasibility of the reaction channels may depend on the reaction conditions in the experiment. The present study may be helpful for probing the mechanisms of the title reactions and understanding the halogen chemistry

Transport safety research abstracts. No. 1

International Nuclear Information System (INIS)

1991-07-01

The Transport Safety Research Abstracts is a collection of reports from Member States of the International Atomic Energy Agency, and other international organizations on research in progress or just completed in the area of safe transport of radioactive material. The main aim of TSRA is to draw attention to work that is about to be published, thus enabling interested parties to obtain further information through direct correspondence with the investigators. Information contained in this issue covers work being undertaken in 6 Member States and contracted by 1 international organization; it is hoped with succeeding issues that TSRA will be able to widen this base. TSRA is modelled after other IAEA publications describing work in progress in other programme areas, namely Health Physics Research Abstracts (No. 14 was published in 1989), Waste Management Research Abstracts (No. 20 was published in 1990), and Nuclear Safety Research Abstracts (No. 2 was published in 1990)

Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

International Nuclear Information System (INIS)

Colonna, G.; Pietanza, L.D.; D’Ammando, G.

2012-01-01

Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.

Self-Imposed Creativity Constraints

DEFF Research Database (Denmark)

Biskjaer, Michael Mose

2013-01-01

Abstract This dissertation epitomizes three years of research guided by the research question: how can we conceptualize creative self-binding as a resource in art and design processes? Concretely, the dissertation seeks to offer insight into the puzzling observation that highly skilled creative...... practitioners sometimes freely and intentionally impose rigid rules, peculiar principles, and other kinds of creative obstructions on themselves as a means to spur momentum in the process and reach a distinctly original outcome. To investigate this the dissertation is composed of four papers (Part II) framed...... of analysis. Informed by the insight that constraints both enable and restrain creative agency, the dissertation’s main contention is that creative self- binding may profitably be conceptualized as the exercise of self-imposed creativity constraints. Thus, the dissertation marks an analytical move from vague...

Photochemical hydrogen abstractions as radiationless transitions

International Nuclear Information System (INIS)

Burrows, H.D.; Formosinho, S.J.

1977-01-01

The tunnel-effect theory of radiationless transitions is applied to the quenching of the uranyl ion excited state by aliphatic compounds. The most important mechanism kinetically is suggested to involve chemical quenching via hydrogen abstraction, and rates for these reactions are analysed theoretically. Good agreement between theory and experiment is observed for a number of alcohols and ethers, and the reactions are suggested to possess considerable charge-transfer character. With t-butanol it is suggested that abstraction occurs preferentially from the hydroxylic hydrogen. Theoretical analysis of the rates of hydrogen abstraction from carboxylic acids suggests that the reaction geometry in this case may be different from the reaction with alcohols or ethers. The possibility that excited uranyl ion can abstract a hydrogen atom from water is examined, and theoretical evidence is presented to suggest that this is the main route for deactivation of uranyl ion lowest excited state in water at room temperature. (author)

The fifth international symposium ''atomic cluster collisions''. ISACC 2011. Book of Abstracts

International Nuclear Information System (INIS)

2011-01-01

The Fifth International Symposium ''Atomic Cluster Collisions'' (ISACC 2011) will take place in July 21-25, 2011 in Berlin, Germany. The venue of the meeting will be the St.-Michaels-Heim a lovely place located within a garden area of Berlin-Grunewald. The ISACC 2011 is organized by the Fritz-Haber-Institute of the Max- Planck Society along with the King Saud University, Rhiyadh and by the Frankfurt Institute for Advanced Studies (FIAS), Frankfurt am Main, Germany. ISACC started as the international symposium on atomic cluster collisions in St. Petersburg, Russia in 2003. The second ISACC was held at the GSI, Darmstadt, Germany in 2007. Both first and second symposia were satellites of the International Conferences on Photonic Electronic and Atomic Collisions (ICPEAC). The third ISACC has returned to St. Petersburg, Russia in 2008. The last ISACC took place in Ann Arbor, again as a satellite meeting of the ICPEAC. Initially the symposium was mainly focused on dynamics of atomic clusters, especially in atomic cluster collisions, but since then its scope has been widened significantly to include dynamics of nanosystems, biomolecules, and macromolecules with the emphasis on the similarity of numerous essential clustering phenomena arising in different branches of physics, chemistry, and biology. After the four ISACC meetings it has become clear that there is a need for an interdisciplinary conference covering a broad range of topics related to the Dynamics of Systems on a Nanoscale. Therefore in 2010 it was decided to expand upon this series of meetings with a new conference organized under the new title ''Dynamics of Systems on the Nanoscale'', the DySoN Conference, since this title better reflects the interdisciplinary character of the earlier ISACC meetings embracing all the topics of interest under a common theme. The first DySoN Conference took place in Rome, Italy in 2010. The fifth ISACC symposium will be again a satellite of the ICPEAC. The ISACC 2011 will

Horn clause verification with convex polyhedral abstraction and tree automata-based refinement

DEFF Research Database (Denmark)

Kafle, Bishoksan; Gallagher, John Patrick

2017-01-01

In this paper we apply tree-automata techniques to refinement of abstract interpretation in Horn clause verification. We go beyond previous work on refining trace abstractions; firstly we handle tree automata rather than string automata and thereby can capture traces in any Horn clause derivations...... underlying the Horn clauses. Experiments using linear constraint problems and the abstract domain of convex polyhedra show that the refinement technique is practical and that iteration of abstract interpretation with tree automata-based refinement solves many challenging Horn clause verification problems. We...... compare the results with other state-of-the-art Horn clause verification tools....

Abstracts of the 3. Brazilian Meeting on Analytical Chemistry

International Nuclear Information System (INIS)

1985-01-01

Abstracts from experimental research works on analytical chemistry are presented. The following techniques were mainly used: differential pulse polarography, atomic absorption spectrophotometry, ion exchange chromatography and gamma spectroscopy. (C.L.B.) [pt

Bertrand Competition with an Asymmetric No-Discrimination Constraint

NARCIS (Netherlands)

Bouckaert, J.M.C.; Degryse, H.A.; van Dijk, T.

2012-01-01

Abstract: We study the competitive and welfare consequences when only one firm must commit to uniform pricing while the competitor’s pricing policy is left unconstrained. The asymmetric no-discrimination constraint prohibits both behaviour-based price discrimination within the competitive segment

ASTROPHYSICS. Atom-interferometry constraints on dark energy.

Science.gov (United States)

Hamilton, P; Jaffe, M; Haslinger, P; Simmons, Q; Müller, H; Khoury, J

2015-08-21

If dark energy, which drives the accelerated expansion of the universe, consists of a light scalar field, it might be detectable as a "fifth force" between normal-matter objects, in potential conflict with precision tests of gravity. Chameleon fields and other theories with screening mechanisms, however, can evade these tests by suppressing the forces in regions of high density, such as the laboratory. Using a cesium matter-wave interferometer near a spherical mass in an ultrahigh-vacuum chamber, we reduced the screening mechanism by probing the field with individual atoms rather than with bulk matter. We thereby constrained a wide class of dark energy theories, including a range of chameleon and other theories that reproduce the observed cosmic acceleration. Copyright © 2015, American Association for the Advancement of Science.

Atomic Power | Taylor | Zede Journal

African Journals Online (AJOL)

Zede Journal. Journal Home · ABOUT THIS JOURNAL · Advanced Search · Current Issue · Archives · Journal Home > Vol 3 (1968) >. Log in or Register to get access to full text downloads. Username, Password, Remember me, or Register. Atomic Power. D Taylor. Abstract. No Abstract. Full Text: EMAIL FREE FULL TEXT ...

Fluorine atom subsurface diffusion and reaction in photoresist

International Nuclear Information System (INIS)

Greer, Frank; Fraser, D.; Coburn, J.W.; Graves, David B.

2003-01-01

Kinetic studies of fluorine and deuterium atoms interacting with an OiR 897 10i i-line photoresist (PR) are reported. All experiments were conducted at room temperature. Films of this PR were coated on quartz-crystal microbalance (QCM) substrates and exposed to alternating fluxes of these atoms in a high vacuum apparatus. Mass changes of the PR were observed in situ and in real time during the atom beam exposures using the QCM. A molecular-beam sampled differentially pumped quadrupole mass spectrometer (QMS) was used to measure the species desorbing from the PR surface during the F and D atom exposures. During the D atom exposures, hydrogen abstraction and etching of the PR was observed, but no DF formation was detected. However, during the F atom exposures, the major species observed to desorb from the surface was DF, formed from fluorine abstraction of deuterium from the photoresist. No evidence of film etching or fluorine self-abstraction was observed. The film mass increased during F atom exposure, evidently due to the replacement of D by F in the film. The rate of DF formation and mass uptake were both characterized by the same kinetics: An initially rapid step declining exponentially with time (e -t/τ ), followed by a much slower step following inverse square root of time (t -1/2 ) kinetics. The initially rapid step was interpreted as surface abstraction of D by F to form DF, which desorbs, with subsequent F impacting the surface inserted into surface C dangling bonds. The slower step was interpreted as F atoms diffusing into the fluorinated photoresist, forming DF at the boundary of the fluorinated carbon layer. The t -1/2 kinetics of this step are interpreted to indicate that F diffusion through the fluorinated carbon layer is much slower than the rate of F abstraction of D to form DF, or the rate of F insertion into the carbon dangling bonds left behind after DF formation. A diffusion-limited growth model was formulated, and the model parameters are

Reduced-Dimensionality Semiclassical Transition State Theory: Application to Hydrogen Atom Abstraction and Exchange Reactions of Hydrocarbons.

Science.gov (United States)

Greene, Samuel M; Shan, Xiao; Clary, David C

2015-12-17

Quantum mechanical methods for calculating rate constants are often intractable for reactions involving many atoms. Semiclassical transition state theory (SCTST) offers computational advantages over these methods but nonetheless scales exponentially with the number of degrees of freedom (DOFs) of the system. Here we present a method with more favorable scaling, reduced-dimensionality SCTST (RD SCTST), that treats only a subset of DOFs of the system explicitly. We apply it to three H abstraction and exchange reactions for which two-dimensional potential energy surfaces (PESs) have previously been constructed and evaluated using RD quantum scattering calculations. We differentiated these PESs to calculate harmonic frequencies and anharmonic constants, which were then used to calculate cumulative reaction probabilities and rate constants by RD SCTST. This method yielded rate constants in good agreement with quantum scattering results. Notably, it performed well for a heavy-light-heavy reaction, even though it does not explicitly account for corner-cutting effects. Recent extensions to SCTST that improve its treatment of deep tunneling were also evaluated within the reduced-dimensionality framework. The success of RD SCTST in this study suggests its potential applicability to larger systems.

Multiple atomic scale solid surface interconnects for atom circuits and molecule logic gates

International Nuclear Information System (INIS)

Joachim, C; Martrou, D; Gauthier, S; Rezeq, M; Troadec, C; Jie Deng; Chandrasekhar, N

2010-01-01

The scientific and technical challenges involved in building the planar electrical connection of an atomic scale circuit to N electrodes (N > 2) are discussed. The practical, laboratory scale approach explored today to assemble a multi-access atomic scale precision interconnection machine is presented. Depending on the surface electronic properties of the targeted substrates, two types of machines are considered: on moderate surface band gap materials, scanning tunneling microscopy can be combined with scanning electron microscopy to provide an efficient navigation system, while on wide surface band gap materials, atomic force microscopy can be used in conjunction with optical microscopy. The size of the planar part of the circuit should be minimized on moderate band gap surfaces to avoid current leakage, while this requirement does not apply to wide band gap surfaces. These constraints impose different methods of connection, which are thoroughly discussed, in particular regarding the recent progress in single atom and molecule manipulations on a surface.

Free radical hydrogen atom abstraction from saturated hydrocarbons: A crossed-molecular-beams study of the reaction Cl + C{sub 3}H{sub 8} {yields} HCl + C{sub 3}H{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Blank, D.A.; Hemmi, N.; Suits, A.G.; Lee, Y.T. [Lawrence Berkeley National Lab., CA (United States)

1997-04-01

The abstraction of hydrogen atoms from saturated hydrocarbons are reactions of fundamental importance in combustion as well as often being the rate limiting step in free radical substitution reactions. The authors have begun studying these reactions under single collision conditions using the crossed molecular beam technique on beamline 9.0.2.1, utilizing VUV undulator radiation to selectively ionize the scattered hydrocarbon free radical products (C{sub x}H{sub 2x+1}). The crossed molecular beam technique involves two reactant molecular beams fixed at 90{degrees}. The molecular beam sources are rotatable in the plane defined by the two beams. The scattered neutral products travel 12.0 cm where they are photoionized using the VUV undulator radiation, mass selected, and counted as a function of time. In the authors initial investigations they are using halogen atoms as protypical free radicals to abstract hydrogen atoms from small alkanes. Their first study has been looking at the reaction of Cl + propane {r_arrow} HCl + propyl radical. In their preliminary efforts the authors have measured the laboratory scattering angular distribution and time of flight spectra for the propyl radical products at collision energies of 9.6 kcal/mol and 14.9 kcal/mol.

Atomic precision tests and light scalar couplings

Energy Technology Data Exchange (ETDEWEB)

Brax, Philippe [CEA, IPhT, CNRS, URA 2306, Gif-sur-Yvette (France). Inst. de Physique Theorique; Burrage, Clare [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Geneve Univ. (Switzerland). Dept. de Physique Theorique

2010-10-15

We calculate the shift in the atomic energy levels induced by the presence of a scalar field which couples to matter and photons. We find that a combination of atomic measurements can be used to probe both these couplings independently. A new and stringent bound on the matter coupling springs from the precise measurement of the 1s to 2s energy level difference in the hydrogen atom, while the coupling to photons is essentially constrained by the Lamb shift. Combining these constraints with current particle physics bounds we find that the contribution of a scalar field to the recently claimed discrepancy in the proton radius measured using electronic and muonic atoms is negligible. (orig.)

Convex polyhedral abstractions, specialisation and property-based predicate splitting in Horn clause verification

DEFF Research Database (Denmark)

Kafle, Bishoksan; Gallagher, John Patrick

2014-01-01

We present an approach to constrained Horn clause (CHC) verification combining three techniques: abstract interpretation over a domain of convex polyhedra, specialisation of the constraints in CHCs using abstract interpretation of query-answer transformed clauses, and refinement by splitting...... in conjunction with specialisation for propagating constraints it can frequently solve challenging verification problems. This is a contribution in itself, but refinement is needed when it fails, and the question of how to refine convex polyhedral analyses has not been studied much. We present a refinement...... technique based on interpolants derived from a counterexample trace; these are used to drive a property-based specialisation that splits predicates, leading in turn to more precise convex polyhedral analyses. The process of specialisation, analysis and splitting can be repeated, in a manner similar...

Pulse radiolysis studies of the reactions of bromine atoms and dimethyl sulfoxide bromine atom complexes with alcohols

Science.gov (United States)

Sumiyoshi, Takashi; Fujiyoshi, Ryoko; Katagiri, Miho; Sawamura, Sadashi

2007-05-01

Dimethylsulfoxide (DMSO)-Br complexes were generated by pulse radiolysis of DMSO/bromomethane mixtures and the formation mechanism and spectral characteristics of the formed complexes were investigated in detail. The rate constant for the reaction of bromine atoms with DMSO and the extinction coefficient of the complex were obtained to be 4.6×10 9 M -1 s -1 and 6300 M -1 cm -1 at the absorption maximum of 430 nm. Rate constants for the reaction of bromine atoms with a series of alcohols were determined in CBrCl 3 solutions applying a competitive kinetic method using the DMSO-Br complex as the reference system. The obtained rate constants were ˜10 8 M -1 s -1, one or two orders larger than those reported for highly polar solvents. Rate constants of DMSO-Br complexes with alcohols were determined to be ˜ 10 7 M -1 s -1. A comparison of the reactivities of Br atoms and DMSO-Br complexes with those of chlorine atoms and chlorine atom complexes which are ascribed to hydrogen abstracting reactants strongly indicates that hydrogen abstraction from alcohols is not the rate determining step in the case of Br atoms and DMSO-Br complexes.

International conference on matrix isolation spectroscopy. Extended Abstracts

Energy Technology Data Exchange (ETDEWEB)

1977-07-01

Seventy-five extended abstracts are arranged under the following headings: generation of reactive species and their isolation in matrices, spectra of metal atoms and cluster formation, stable molecules in matrices, Raman- and IR-spectroscopy, high-temperature molecules, reactive matrices, relaxation phenomena studied in matrices, and physical properties of matrices. (DLC)

Optically pumped atoms

CERN Document Server

Happer, William; Walker, Thad

2010-01-01

Covering the most important knowledge on optical pumping of atoms, this ready reference is backed by numerous examples of modelling computation for optical pumped systems. The authors show for the first time that modern scientific computing software makes it practical to analyze the full, multilevel system of optically pumped atoms. To make the discussion less abstract, the authors have illustrated key points with sections of MATLAB codes. To make most effective use of contemporary mathematical software, it is especially useful to analyze optical pumping situations in the Liouville spa

Sixteenth International Conference on the physics of electronic and atomic collisions

Energy Technology Data Exchange (ETDEWEB)

Dalgarno, A.; Freund, R.S.; Lubell, M.S.; Lucatorto, T.B. (eds.)

1989-01-01

This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter.

Sixteenth International Conference on the physics of electronic and atomic collisions

International Nuclear Information System (INIS)

Dalgarno, A.; Freund, R.S.; Lubell, M.S.; Lucatorto, T.B.

1989-01-01

This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter

Broadcast Abstraction in a Stochastic Calculus for Mobile Networks

DEFF Research Database (Denmark)

Song, Lei; Godskesen, Jens Christian

2012-01-01

topology constraint. We allow continuous time stochastic behavior of processes running at network nodes, e.g. in order to be able to model randomized protocols. The introduction of group broadcast and an operator to help avoid flooding allows us to define a novel notion of broadcast abstraction. Finally......, we define a weak bisimulation congruence and apply our theory on an example of a leader election protocol....

The Chocolate Shop and Atomic Orbitals: A New Atomic Model Created by High School Students to Teach Elementary Students

Science.gov (United States)

Liguori, Lucia

2014-01-01

Atomic orbital theory is a difficult subject for many high school and beginning undergraduate students, as it includes mathematical concepts not yet covered in the school curriculum. Moreover, it requires certain ability for abstraction and imagination. A new atomic orbital model "the chocolate shop" created "by" students…

Kinetics of Hydrogen Abstraction and Addition Reactions of 3-Hexene by ȮH Radicals.

Science.gov (United States)

Yang, Feiyu; Deng, Fuquan; Pan, Youshun; Zhang, Yingjia; Tang, Chenglong; Huang, Zuohua

2017-03-09

Rate coefficients of H atom abstraction and H atom addition reactions of 3-hexene by the hydroxyl radicals were determined using both conventional transition-state theory and canonical variational transition-state theory, with the potential energy surface (PES) evaluated at the CCSD(T)/CBS//BHandHLYP/6-311G(d,p) level and quantum mechanical effect corrected by the compounded methods including one-dimensional Wigner method, multidimensional zero-curvature tunneling method, and small-curvature tunneling method. Results reveal that accounting for approximate 70% of the overall H atom abstractions occur in the allylic site via both direct and indirect channels. The indirect channel containing two van der Waals prereactive complexes exhibits two times larger rate coefficient relative to the direct one. The OH addition reaction also contains two van der Waals complexes, and its submerged barrier results in a negative temperature coefficient behavior at low temperatures. In contrast, The OH addition pathway dominates only at temperatures below 450 K whereas the H atom abstraction reactions dominate overwhelmingly at temperature over 1000 K. All of the rate coefficients calculated with an uncertainty of a factor of 5 were fitted in a quasi-Arrhenius formula. Analyses on the PES, minimum reaction path and activation free Gibbs energy were also performed in this study.

Rings Related to Special Atoms | France-Jackson | Quaestiones ...

African Journals Online (AJOL)

Abstract unavailable at this time... Mathematics Subject Classification (1991): 16A21, 16A12 Keywords: ring, special atoms, atoms, *k-ring, prime ring, *-ring, Jacobson, artinia, essential extension, homomorphic image, ideals. Quaestiones Mathematicae 24(1) 2001, 105–109 ...

Formal Constraints on Memory Management for Composite Overloaded Operations

Directory of Open Access Journals (Sweden)

Damian W.I. Rouson

2006-01-01

Full Text Available The memory management rules for abstract data type calculus presented by Rouson, Morris & Xu [15] are recast as formal statements in the Object Constraint Language (OCL and applied to the design of a thermal energy equation solver. One set of constraints eliminates memory leaks observed in composite overloaded expressions with three current Fortran 95/2003 compilers. A second set of constraints ensures economical memory recycling. The constraints are preconditions, postconditions and invariants on overloaded operators and the objects they receive and return. It is demonstrated that systematic run-time assertion checking inspired by the formal constraints facilitated the pinpointing of an exceptionally hard-to-reproduce compiler bug. It is further demonstrated that the interplay between OCL's modeling capabilities and Fortran's programming capabilities led to a conceptual breakthrough that greatly improved the readability of our code by facilitating operator overloading. The advantages and disadvantages of our memory management rules are discussed in light of other published solutions [11,19]. Finally, it is demonstrated that the run-time assertion checking has a negligible impact on performance.

Second international conference on fundamentals of fracture. Program and abstract book. Summaries

International Nuclear Information System (INIS)

1985-01-01

The approximately 95 papers and abstracts are grouped under the following headings: atomic theory, continuum theory, experimental studies, environmental effects, fatigue, ceramics, high-temperature phenomena, and interfacial fracture

Single-Atom Gating of Quantum State Superpositions

Energy Technology Data Exchange (ETDEWEB)

Moon, Christopher

2010-04-28

The ultimate miniaturization of electronic devices will likely require local and coherent control of single electronic wavefunctions. Wavefunctions exist within both physical real space and an abstract state space with a simple geometric interpretation: this state space - or Hilbert space - is spanned by mutually orthogonal state vectors corresponding to the quantized degrees of freedom of the real-space system. Measurement of superpositions is akin to accessing the direction of a vector in Hilbert space, determining an angle of rotation equivalent to quantum phase. Here we show that an individual atom inside a designed quantum corral1 can control this angle, producing arbitrary coherent superpositions of spatial quantum states. Using scanning tunnelling microscopy and nanostructures assembled atom-by-atom we demonstrate how single spins and quantum mirages can be harnessed to image the superposition of two electronic states. We also present a straightforward method to determine the atom path enacting phase rotations between any desired state vectors. A single atom thus becomes a real-space handle for an abstract Hilbert space, providing a simple technique for coherent quantum state manipulation at the spatial limit of condensed matter.

Second international conference on fundamentals of fracture. Program and abstract book. Summaries

Energy Technology Data Exchange (ETDEWEB)

1985-01-01

The approximately 95 papers and abstracts are grouped under the following headings: atomic theory, continuum theory, experimental studies, environmental effects, fatigue, ceramics, high-temperature phenomena, and interfacial fracture. (DLC)

Presolvated Electron Reaction with Methylacetoacetate: Electron Localization, Proton-Deuteron Exchange, and H-atom Abstraction

Science.gov (United States)

Petrovici, Alex; Adhikary, Amitava; Kumar, Anil; Sevilla, Michael D.

2015-01-01

Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methylacetoacetate (MAA, CH3-CO-CH2-CO-OCH3) at 77 K and subsequent reactions of the anion radical (CH3-CO•−-CH2-CO-OCH3) in the temperature range (77 to ca. 170 K) have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR) spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•)OH-CH2-CO-OCH3. The ESR spectrum of CH3-C(•)OH-CH2-CO-OCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•)OH-CH2-CO-OCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylen protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K), CH3-C(•)OH-CH2-CO-OCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-CO-OCH3. Theoretical calculations using density functional theory (DFT) support the radical assignments. PMID:25255751

STIR-Physics: Cold Atoms and Nanocrystals in Tapered Nanofiber and High-Q Resonator Potentials

Science.gov (United States)

2016-11-02

STIR- Physics : Cold Atoms and Nanocrystals in Tapered Nanofiber and High-Q Resonator Potentials We worked on a tapered fiber in cold atomic cloud...reviewed journals: Number of Papers published in non peer-reviewed journals: Final Report: STIR- Physics : Cold Atoms and Nanocrystals in Tapered Nanofiber...other than abstracts): Number of Peer-Reviewed Conference Proceeding publications (other than abstracts): Books Number of Manuscripts: 0.00Number of

Hirshfeld atom refinement.

Science.gov (United States)

Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

2014-09-01

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

Matrix effect on hydrogen-atom tunneling of organic molecules in cryogenic solids

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

2000-01-01

Although the tunneling of atoms through potential energy barriers separating the reactant and reaction systems is not paid much attention in organic reactions, this plays an important role in reactions including the transfer of light atoms. Atomic tunneling is especially important for chemical reactions at low temperatures, since the thermal activation of reactant systems is very slow process in comparison with the tunneling. One of the typical reactions of atomic tunneling is hydrogen-atom abstraction from alkanes in cryogenic solids exposed to high-energy radiation. Irradiation of alkane molecules causes the homolytic cleavage of C-H bonds, which results in the pairwise formation of free hydrogen atoms and organic free radicals. Since the activation energies for the abstraction of hydrogen atoms from alkane molecules by free hydrogen atoms are higher than 5 kcal/mol, the lifetime of free hydrogen atoms at 77 K is estimated from the Arrhenius equation of k=vexp(-E a /RT) to be longer than 10 hrs. However, except for solid methane, free hydrogen atoms immediately convert to alkyl radicals even at 4.2 K by hydrogen-atom tunneling from alkane molecules to the free hydrogen atoms. The rate of hydrogen atom tunneling does not necessary increase with decreasing activation energy or the peak height of the potential energy barrier preventing the tunneling. Although the activation energy is the lowest at the tertiary carbon of alkanes, hydrogen atom tunneling from branched alkanes with tertiary carbon at the antepenultimate position of the carbon skeleton is the fastest at the secondary penultimate carbon. Based on our experimental results, we have proposed that the peculiarity of the hydrogen-atom abstraction in cryogenic solids comes from the steric hindrance by matrix molecules to the deformation of alkane molecules from the initial sp 3 to the final sp 2 configurations. The steric hindrance causes the increase of the height of the potential energy barrier for the

Atomic physics of strongly correlated systems

International Nuclear Information System (INIS)

Lin, C.D.

1986-01-01

This abstract summarizes the progress made in the last year and the future plans of our research in the study of strongly correlated atomic systems. In atomic structure and atomic spectroscopy we are investigating the classification and supermultiplet structure of doubly excited states. We are also beginning the systematic study of triply excited states. In ion-atom collisions, we are exploring an AO-MO matching method for treating multi-electron collision systems to extract detailed information such as subshell cross sections, alignment and orientation parameters, etc. We are also beginning ab initio calculations on the angular distributions for electron transfer processes in low-energy (about 10-100eV/amu) ion-atom collisions in a full quantum mechanical treatment of the motion of heavy particles

Sodium-Induced Reordering of Atomic Stacks in Black Phosphorus

KAUST Repository

Cheng, Yingchun

2017-01-12

While theoretical simulations predict contradictory results about how the intercalation of foreign metal atoms affects the order of atomic layers in black phosphorus (BP), no direct experimental visualization work has yet clarified this ambiguity. By in situ electrochemical sodiation of BP inside a high-resolution transmission electron microscope and first-principles calculations, we found that sodium intercalation induces a relative glide of/ ⟨010⟩ {001}, resulting in reordering of atomic stacks from AB to AC in BP. The observed local amorphization in our experiments is triggered by lattice constraints. We predict that intercalation of sodium or other metal atoms introduces n-type carriers in BP. This potentially opens a new field for two-dimensional electronics based on BP.

Sodium-Induced Reordering of Atomic Stacks in Black Phosphorus

KAUST Repository

Cheng, Yingchun; Zhu, Yihan; Han, Yu; Liu, Zhongyuan; Yang, Bingchao; Nie, Anmin; Huang, Wei; Shahbazian-Yassar, Reza; Mashayek, Farzad

2017-01-01

While theoretical simulations predict contradictory results about how the intercalation of foreign metal atoms affects the order of atomic layers in black phosphorus (BP), no direct experimental visualization work has yet clarified this ambiguity. By in situ electrochemical sodiation of BP inside a high-resolution transmission electron microscope and first-principles calculations, we found that sodium intercalation induces a relative glide of/ ⟨010⟩ {001}, resulting in reordering of atomic stacks from AB to AC in BP. The observed local amorphization in our experiments is triggered by lattice constraints. We predict that intercalation of sodium or other metal atoms introduces n-type carriers in BP. This potentially opens a new field for two-dimensional electronics based on BP.

Sequences of measures on atomic subalgebras of P(N) | Aizpuru ...

African Journals Online (AJOL)

Sequences of measures on atomic subalgebras of P(N). Antonio Aizpuru, Antonio Gutierrez-D´avila. Abstract. A vector form of Phillips' theorem, for atomic Boolean algebras with countably many atoms, is given. As a consequence we obtain a new characterization of weak compact sets of σ-additive measures. Quaestiones ...

Effects of energy constraints on transportation systems. [Twenty-six papers

Energy Technology Data Exchange (ETDEWEB)

Mittal, R. K. [ed.

1977-12-01

Twenty-six papers are presented on a variety of topics including: energy and transportaton facts and figures; long-range planning under energy constraints; technology assessment of alternative fuels; energy efficiency of intercity passenger and freight movement; energy efficiency of intracity passenger movement; federal role; electrification of railroads; energy impact of the electric car in an urban enviroment; research needs and projects in progress--federal viewpoint; research needs in transportation energy conservation--data needs; and energy intensity of various transportation modes--an overview. A separate abstract was prepared for each of the papers for inclusion in Energy Research Abstracts (ERA) and in Energy Abstracts for Policy Analysis (EAPA).

Precision Electroweak Measurements and Constraints on the Standard Model

CERN Document Server

,

2010-01-01

This note presents constraints on Standard Model parameters using published and preliminary precision electroweak results measured at the electron-positron colliders LEP and SLC. The results are compared with precise electroweak measurements from other experiments, notably CDF and DØ at the Tevatron. Constraints on the input parameters of the Standard Model are derived from the combined set of results obtained in high-$Q^2$ interactions, and used to predict results in low-$Q^2$ experiments, such as atomic parity violation, Møller scattering, and neutrino-nucleon scattering. The main changes with respect to the experimental results presented in 2009 are new combinations of results on the width of the W boson and the mass of the top quark.

National Physics Conference. Paper Abstracts

International Nuclear Information System (INIS)

Marinela Dumitriu, Editorial Coordination.

1995-01-01

This book contains the abstracts of the proceedings of the annual Romanian Physics Conference organized by Romanian Physics Society. The conference was held on November 30 to December 2, 1995 in the city of Baia Mare. It was organized in the following nine sections: 1 - Astrophysics, Particle Physics, Nuclear Physics, Molecular and Atomic Physics; 2 - Plasma Physics; 3 - Biophysics; 4 - Technical Physics; 5 - Theoretical Physics; 6 -The Physics of Energy; 7 - The Physics of Environment 8 - Solid State Physics; 9 - Optical and Quantum Electronics. The full texts can be obtained on request from the Romanian Physical Society or directly from authors

Abstract decomposition theorem and applications

CERN Document Server

Grossberg, R; Grossberg, Rami; Lessmann, Olivier

2005-01-01

Let K be an Abstract Elementary Class. Under the asusmptions that K has a nicely behaved forking-like notion, regular types and existence of some prime models we establish a decomposition theorem for such classes. The decomposition implies a main gap result for the class K. The setting is general enough to cover \\aleph_0-stable first-order theories (proved by Shelah in 1982), Excellent Classes of atomic models of a first order tehory (proved Grossberg and Hart 1987) and the class of submodels of a large sequentially homogenuus \\aleph_0-stable model (which is new).

Presolvated Electron Reactions with Methyl Acetoacetate: Electron Localization, Proton-Deuteron Exchange, and H-Atom Abstraction

Directory of Open Access Journals (Sweden)

Alex Petrovici

2014-09-01

Full Text Available Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methyl acetoacetate (MAA, CH3-CO-CH2-COOCH3 at 77 K and subsequent reactions of the anion radical (CH3-CO•−-CH2-COOCH3 in the 77 to ca. 170 K temperature range have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•OH-CH2-COOCH3. The ESR spectrum of CH3-C(•OH-CH2-COOCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•OH-CH2-COOCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylene protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K, CH3-C(•OH-CH2-COOCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-COOCH3. Theoretical calculations using density functional theory (DFT support the radical assignments.

Presolvated electron reactions with methyl acetoacetate: electron localization, proton-deuteron exchange, and H-atom abstraction.

Science.gov (United States)

Petrovici, Alex; Adhikary, Amitava; Kumar, Anil; Sevilla, Michael D

2014-09-01

Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methyl acetoacetate (MAA, CH3-CO-CH2-COOCH3) at 77 K and subsequent reactions of the anion radical (CH3-CO•--CH2-COOCH3) in the 77 to ca. 170 K temperature range have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR) spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•)OH-CH2-COOCH3. The ESR spectrum of CH3-C(•)OH-CH2-COOCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•)OH-CH2-COOCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylene protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K), CH3-C(•)OH-CH2-COOCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-COOCH3. Theoretical calculations using density functional theory (DFT) support the radical assignments.

Locality constraints and 2D quasicrystals

International Nuclear Information System (INIS)

Socolar, J.E.S.

1990-01-01

The plausible assumption that long-range interactions between atoms are negligible in a quasicrystal leaks to the study of tilings that obey constraints on the local configurations of tiles. The theory of such constraints (called matching rules) for 2D quasicrystal tilings is reviewed here. Different types of matching rules are defined and examples of tilings obeying them are given where known. The role of tile decoration is discussed and is shown to be significant in at least two cases (octagonal and dodecagonal duals of periodic 4-grids and 6-grids). A new result is introduced: a constructive procedure is described for generating weak matching rules for tilings with N-fold symmetry, for any N that is either a prime number or twice a prime number. The physics associated with weak matching rules, results on local growth rules, and the case of icosahedral symmetry are all briefly discussed. (author). 29 refs, 4 figs

Classroom: inexpensive models for teaching atomic structure and ...

African Journals Online (AJOL)

Classroom: inexpensive models for teaching atomic structure and compounds at junior secondary school level of education. WHK Hordzi, BA Mensah. Abstract. No Abstract. Global Journal of Educational Research Vol. 2(1&2) 2003: 33-40. Full Text: EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT · DOWNLOAD FULL ...

Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

Directory of Open Access Journals (Sweden)

Raka Biswas

2002-02-01

Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4πr2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother Meyer’s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.

Exciton induced directed motion of unconstrained atoms in an ultracold gas

Science.gov (United States)

Leonhardt, K.; Wüster, S.; Rost, J. M.

2017-03-01

We demonstrate that through localised Rydberg excitation in a three-dimensional cold atom cloud atomic motion can be rendered directed and nearly confined to a plane, without spatial constraints for the motion of individual atoms. This enables creation and observation of non-adiabatic electronic Rydberg dynamics in atoms accelerated by dipole-dipole interactions under natural conditions. Using the full l = 0, 1 m=0,+/- 1 angular momentum state space, our simulations show that conical intersection crossings are clearly evident, both in atomic position information and excited state spectra of the Rydberg system. Hence, flexible Rydberg aggregates suggest themselves for probing quantum chemical effects in experiments on length scales much inflated as compared to a standard molecular situation.

Abstracts and papers of the 1996 International RERTR Meeting

International Nuclear Information System (INIS)

1996-10-01

The 1996 International Meeting on Reduced Enrichment for Research and Test Reactors (RERTR) was sponsored by the Korea Atomic Energy Research Institute and the International Atomic Energy Agency and was held in Seoul, Korea, on 6-10 October 1996. The abstracts and available papers that were presented at this meeting are provided. The most important subject dealt with was progress of the Reduced Enrichment Research and Test Reactor (RERTR) Program. The major events, findings, and activities of 1996 are reviewed with the results which the RERTR Program has achieved by the end of 1995 in collaboration of the ANL and its many international partners

Abstracts and papers of the 1996 International RERTR Meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-10-01

The 1996 International Meeting on Reduced Enrichment for Research and Test Reactors (RERTR) was sponsored by the Korea Atomic Energy Research Institute and the International Atomic Energy Agency and was held in Seoul, Korea, on 6-10 October 1996. The abstracts and available papers that were presented at this meeting are provided. The most important subject dealt with was progress of the Reduced Enrichment Research and Test Reactor (RERTR) Program. The major events, findings, and activities of 1996 are reviewed with the results which the RERTR Program has achieved by the end of 1995 in collaboration of the ANL and its many international partners.

The dressed mobile atoms and ions

CERN Document Server

Amour, B; Guillot, L

2005-01-01

We consider free atoms and ions in $\\R^3$ interacting with the quantized electromagnetic field. Because of the translation invariance we consider the reduced hamiltonian associated with the total momentum. After introducing an ultraviolet cutoff we prove that the reduced hamiltonian for atoms has a ground state if the coupling constant and the total momentum are sufficiently small. In the case of ions an extra infrared regularization is needed. We also consider the case of the hydrogen atom in a constant magnetic field. Finally we determine the absolutely continuous spectrum of the reduced hamiltonian. \\end{abstract}

Abstract Interpretation of PIC programs through Logic Programming

DEFF Research Database (Denmark)

Henriksen, Kim Steen; Gallagher, John Patrick

2006-01-01

, are applied to the logic based model of the machine. A small PIC microcontroller is used as a case study. An emulator for this microcontroller is written in Prolog, and standard programming transformations and analysis techniques are used to specialise this emulator with respect to a given PIC program....... The specialised emulator can now be further analysed to gain insight into the given program for the PIC microcontroller. The method describes a general framework for applying abstractions, illustrated here by linear constraints and convex hull analysis, to logic programs. Using these techniques on the specialised...

Constraint-Based Local Search for Constrained Optimum Paths Problems

Science.gov (United States)

Pham, Quang Dung; Deville, Yves; van Hentenryck, Pascal

Constrained Optimum Path (COP) problems arise in many real-life applications and are ubiquitous in communication networks. They have been traditionally approached by dedicated algorithms, which are often hard to extend with side constraints and to apply widely. This paper proposes a constraint-based local search (CBLS) framework for COP applications, bringing the compositionality, reuse, and extensibility at the core of CBLS and CP systems. The modeling contribution is the ability to express compositional models for various COP applications at a high level of abstraction, while cleanly separating the model and the search procedure. The main technical contribution is a connected neighborhood based on rooted spanning trees to find high-quality solutions to COP problems. The framework, implemented in COMET, is applied to Resource Constrained Shortest Path (RCSP) problems (with and without side constraints) and to the edge-disjoint paths problem (EDP). Computational results show the potential significance of the approach.

Abstracts of the 1. Brazilian Meeting on Analytical Chemistry

International Nuclear Information System (INIS)

Curtius, A.J.

1982-01-01

Abstracts from experimental studies on analytical chemistry are presented. Several techniques have been used, such as: neutron activation analysis, potentiometry, optical emission spectroscopy, alpha and gamma spectroscopy, atomic absorption spectrophotometry, radiometric analysis, fission track detection, complexometry and others. Samples analysed are of various kinds: environmental materials (soil, water, air), rocks, coal, lanthanide complexes, polycarbonates and synthetic quartz. (C.L.B.) [pt

Book of abstracts. Invited and contributed papers

International Nuclear Information System (INIS)

1995-01-01

The book is a collection of abstracts submitted to the International Nuclear Physics Conference held on August 21-26, 1995 in Beijing, China. The conference is organized by China Institute of Atomic Energy. The main topics of the conference are: relativistic nuclear collisions, mesons and baryons in nuclei, hadron structure and quarks in nuclei, formation and properties of hot nuclei, nuclear reactions at low and intermediate energies, nuclear structure, radioactive nuclear beams, nuclear astrophysics, fundamental interaction and symmetries, applied nuclear physics

Building a Library for Microelectronics Verification with Topological Constraints

Science.gov (United States)

2017-03-01

with topological constraints. Circuits at the second level of abstraction are selected from prior work on simulated reverse- engineered hardware...entering DoD systems. The Defense Advanced Research Project Agency (DARPA) Trusted Integrated Circuits (TRUST) [12-14] program was introduced to focus on...serious- risks-from-counterfeit-electronic-parts/ 4. “Trusted Integrated Circuits (TRUST)”. [Online]. DARPA Microsystems Technology Office. Available

Finding the Atomic Configuration with a Required Physical Property in Multi-Atom Structures

International Nuclear Information System (INIS)

d'Avezac, M.; Zunger, A.

2007-01-01

In many problems in molecular and solid state structures one seeks to determine the energy-minimizing decoration of sites with different atom types. In other problems, one is interested in finding a decoration with a target physical property (e.g. alloy band gap) within a certain range. In both cases, the sheer size of the configurational space can be horrendous. We present two approaches which identify either the minimum-energy configuration or configurations with a target property for a fixed underlying Bravais lattice. We compare their efficiency at locating the deepest minimum energy configuration of face centered cubic Au-Pd alloy. We show that a global-search genetic-algorithm approach with diversity-enhancing constraints and reciprocal-space mating can efficiently find the global optimum, whereas the local-search virtual-atom approach presented here is more efficient at finding structures with a target property

Constraints on Σ nucleus dynamics from dirac phenomenology of Σ- atoms

International Nuclear Information System (INIS)

Mares, J.; Friedman, E.; Hebrew Univ., Jerusalem; Gal, A.; Jennings, B.K.

1995-05-01

Strong interaction level shifts and widths in Σ - atoms are analyzed by using a Σ nucleus optical potential constructed within the relativistic mean field approach. The analysis leads to potentials with a repulsive real part in the nuclear interior. The data are sufficient to establish the size of the isovector meson-hyperon coupling. Implications to Σ hypernuclei are discussed. (author). 36 refs., 2 tabs., 4 figs

Atomic vapor laser isotope separation

International Nuclear Information System (INIS)

Stern, R.C.; Paisner, J.A.

1985-01-01

Atomic vapor laser isotope separation (AVLIS) is a general and powerful technique. A major present application to the enrichment of uranium for light-water power reactor fuel has been under development for over 10 years. In June 1985 the Department of Energy announced the selection of AVLIS as the technology to meet the nation's future need for the internationally competitive production of uranium separative work. The economic basis for this decision is considered, with an indicated of the constraints placed on the process figures of merit and the process laser system. We then trace an atom through a generic AVLIS separator and give examples of the physical steps encountered, the models used to describe the process physics, the fundamental parameters involved, and the role of diagnostic laser measurements

Coherent radiation from atoms and a channeled particle

International Nuclear Information System (INIS)

Epp, V.; Sosedova, M.A.

2013-01-01

Highlights: ► Impact of coherent atoms vibrations on radiation of a channeled particle is studied. ► Resonant amplification of atomic radiation is possible under certain conditions. ► Radiation of vibrating atoms forms an intense narrow peak in angular distribution. ► Radiation of atoms on resonance conditions is higher than that of channeled particle. -- Abstract: A new mechanism of radiation emitted at channeling of a relativistic charged particle in a crystal is studied. The superposition of coherent radiation from atoms, which are excited to vibrate in the crystal lattice by a channeled charged particle, with the ordinary channeling radiation is considered. It is shown that the coherent radiation from a chain of oscillating atoms forms a resonance peak on the tail of radiation emitted by the channeled particle

Constraint Differentiation

DEFF Research Database (Denmark)

Mödersheim, Sebastian Alexander; Basin, David; Viganò, Luca

2010-01-01

We introduce constraint differentiation, a powerful technique for reducing search when model-checking security protocols using constraint-based methods. Constraint differentiation works by eliminating certain kinds of redundancies that arise in the search space when using constraints to represent...... results show that constraint differentiation substantially reduces search and considerably improves the performance of OFMC, enabling its application to a wider class of problems....

Constraint-based scheduling applying constraint programming to scheduling problems

CERN Document Server

Baptiste, Philippe; Nuijten, Wim

2001-01-01

Constraint Programming is a problem-solving paradigm that establishes a clear distinction between two pivotal aspects of a problem: (1) a precise definition of the constraints that define the problem to be solved and (2) the algorithms and heuristics enabling the selection of decisions to solve the problem. It is because of these capabilities that Constraint Programming is increasingly being employed as a problem-solving tool to solve scheduling problems. Hence the development of Constraint-Based Scheduling as a field of study. The aim of this book is to provide an overview of the most widely used Constraint-Based Scheduling techniques. Following the principles of Constraint Programming, the book consists of three distinct parts: The first chapter introduces the basic principles of Constraint Programming and provides a model of the constraints that are the most often encountered in scheduling problems. Chapters 2, 3, 4, and 5 are focused on the propagation of resource constraints, which usually are responsibl...

Momentum densities and Compton profiles of alkali-metal atoms

Indian Academy of Sciences (India)

Abstract. It is assumed that the dynamics of valence electrons of alkali-metal atoms can be well accounted for by a quantum-defect theoretic model while the core electrons may be supposed to move in a self-consistent field. This model is used to study the momentum properties of atoms from. 3Li to 37Rb. The numerical ...

Abstracts of the 2. Brazilian Meeting on Analytical Chemistry

International Nuclear Information System (INIS)

Curtius, A.J.

1983-01-01

Abstracts of theoretical and experimental works on Qualitative and Quantitative Analytical Chemistry are presented. Among the various analytical techniques used, emphasis is given to: neutron activation analysis, crystal doping and annealing, isotopic tracing, fission tracks detection, atomic absorption spectrophotometry, emission spectroscopy with induced coupled plasma, X-ray diffraction, nuclear magnetic resonance, mass spectrometry, polarography, ion exchange and/or thin-layer chromatography, electrodeposition, potentiometric titration and others. (C.L.B) [pt

Hot atom chemistry of sulphur

International Nuclear Information System (INIS)

Todorovski, D. S.; Koleva, D. P.

1982-01-01

An attempt to cover all papers dealing with the hot atom chemistry of sulpphur is made. Publications which: a) only touch the problem, b) contain some data, indirectly connected with sulphur hot atom chemistry, c) deal with 35 S-production from a chloride matrix, are included as well. The author's name and literature source are given in the original language, transcribed, when it is necessary, in latine. A number of primery and secondary documents have been used including Chemical Abstracts, INIS Atomindex, the bibliographies of A. Siuda and J.-P. Adloff for 1973 - 77, etc. (authors)

Probing stem cell differentiation using atomic force microscopy

International Nuclear Information System (INIS)

Liang, Xiaobin; Shi, Xuetao; Ostrovidov, Serge; Wu, Hongkai; Nakajima, Ken

2016-01-01

Graphical abstract: - Highlights: • Atomic force microscopy (AFM) was developed to probe stem cell differentiation. • The mechanical properties of stem cells and their ECMs can be used to clearly distinguish specific stem cell-differentiated lineages. • AFM is a facile and useful tool for monitoring stem cell differentiation in a non-invasive manner. - Abstract: A real-time method using atomic force microscopy (AFM) was developed to probe stem cell differentiation by measuring the mechanical properties of cells and the extracellular matrix (ECM). The mechanical properties of stem cells and their ECMs can be used to clearly distinguish specific stem cell-differentiated lineages. It is clear that AFM is a facile and useful tool for monitoring the differentiation of stem cells in a non-invasive manner.

Probing stem cell differentiation using atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Liang, Xiaobin [Graduate School of Science and Engineering, Tokyo Institute of Technology, Ookayama 2-12-1, Meguro-ku, Tokyo 152-8550 (Japan); Shi, Xuetao, E-mail: mrshixuetao@gmail.com [School of Materials Science and Engineering, South China University of Technology, Guangzhou 510641 (China); Ostrovidov, Serge [WPI-Advanced Institute for Materials Research, Tohoku University, Sendai (Japan); Wu, Hongkai, E-mail: chhkwu@ust.hk [Department of Chemistry & Division of Biomedical Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong (China); Nakajima, Ken [Graduate School of Science and Engineering, Tokyo Institute of Technology, Ookayama 2-12-1, Meguro-ku, Tokyo 152-8550 (Japan)

2016-03-15

Graphical abstract: - Highlights: • Atomic force microscopy (AFM) was developed to probe stem cell differentiation. • The mechanical properties of stem cells and their ECMs can be used to clearly distinguish specific stem cell-differentiated lineages. • AFM is a facile and useful tool for monitoring stem cell differentiation in a non-invasive manner. - Abstract: A real-time method using atomic force microscopy (AFM) was developed to probe stem cell differentiation by measuring the mechanical properties of cells and the extracellular matrix (ECM). The mechanical properties of stem cells and their ECMs can be used to clearly distinguish specific stem cell-differentiated lineages. It is clear that AFM is a facile and useful tool for monitoring the differentiation of stem cells in a non-invasive manner.

Water cooled reactor technology: Safety research abstracts no. 1

International Nuclear Information System (INIS)

1990-01-01

The Commission of the European Communities, the International Atomic Energy Agency and the Nuclear Energy Agency of the OECD publish these Nuclear Safety Research Abstracts within the framework of their efforts to enhance the safety of nuclear power plants and to promote the exchange of research information. The abstracts are of nuclear safety related research projects for: pressurized light water cooled and moderated reactors (PWRs); boiling light water cooled and moderated reactors (BWRs); light water cooled and graphite moderated reactors (LWGRs); pressurized heavy water cooled and moderated reactors (PHWRs); gas cooled graphite moderated reactors (GCRs). Abstracts of nuclear safety research projects for fast breeder reactors are published independently by the Nuclear Energy Agency of the OECD and are not included in this joint publication. The intention of the collaborating international organizations is to publish such a document biannually. Work has been undertaken to develop a common computerized system with on-line access to the stored information

On the connection between the hydrogen atom and the harmonic oscillator: the zero-energy case

International Nuclear Information System (INIS)

Kibler, M.; Negali, T.

1983-09-01

The connection between the three-dimensional hydrogen atom and a four-dimensional harmonic oscillator obtained in previous works, from an hybridization of the infinitesimal Pauli approach to the hydrogen system with the Schwinger approach to spherical and hyperbolical angular momenta, is worked out in the case of the zero-energy point of the hydrogen atom. This leads to the equivalence of the three-dimensional hydrogen problem with a four-dimensional free-particle problem involving a constraint condition. For completeness, the latter results is also derived by using the Kustaanheimo-Stiefel transformation introduced in celestial mechanics. Finally, it is shown how the Lie algebra of SO(4,2) quite naturally arises for the whole spectrum (discrete + continuum + zero-energy point) of the three-dimensional hydrogen atom from the introduction of the constraint condition into the Lie algebra of Sp(8,R) associated to the four-dimensional harmonic oscillator

Second CERN group produces cold atoms of antihydrogen

CERN Document Server

Levi-Goss, Barbara

2003-01-01

A new experiment, by CERN's ATRAP collaboration, which introduced a technique for determining the quantum state in which antihydrogen atoms are formed was discussed. To make antihydrogen, antiprotons were taken from CERN's Antiproton Decelerator, further slowed down, and trapped with a configuration of electric fields. The evidence gathered confirmed that the H over bar atoms formed in the experiment occupy highly excited Rydberg states. (Edited abstract) 5 Refs.

Static Safety for an Actor Dedicated Process Calculus by Abstract Interpretation

OpenAIRE

Garoche, Pierre-Loïc; Pantel, Marc; Thirioux, Xavier

2006-01-01

International audience; The actor model eases the definition of concurrent programs with non uniform behaviors. Static analysis of such a model was previously done in a data-flow oriented way, with type systems. This approach was based on constraint set resolution and was not able to deal with precise properties for communications of behaviors. We present here a new approach, control-flow oriented, based on the abstract interpretation framework, able to deal with communication of behaviors. W...

The Fifth International Ural seminar. Radiation damage physics of metals and alloys. Abstracts

International Nuclear Information System (INIS)

2003-01-01

Presented are the abstracts of The Fifth International Ural seminar Damage physics of metals and alloys. General problems of radiation damage physics, radiation effect on change of microstucture and the properties of metals and alloys, as well as materials for nuclear and thermonuclear energetics are considered. The themes of reports are the following: correlation effects in cascades of atom-atomic collisions; radiation-induced strengthening critical current density in YBa 2 Cu 3 O 7-x superconductors; conditions of forming and hydrides growth in irradiated zirconium alloys [ru

From Abstract Art to Abstracted Artists

Directory of Open Access Journals (Sweden)

Romi Mikulinsky

2016-11-01

Full Text Available What lineage connects early abstract films and machine-generated YouTube videos? Hans Richter’s famous piece Rhythmus 21 is considered to be the first abstract film in the experimental tradition. The Webdriver Torso YouTube channel is composed of hundreds of thousands of machine-generated test patterns designed to check frequency signals on YouTube. This article discusses geometric abstraction vis-à-vis new vision, conceptual art and algorithmic art. It argues that the Webdriver Torso is an artistic marvel indicative of a form we call mathematical abstraction, which is art performed by computers and, quite possibly, for computers.

Testing general relativity and alternative theories of gravity with space-based atomic clocks and atom interferometers

Directory of Open Access Journals (Sweden)

Bondarescu Ruxandra

2015-01-01

Full Text Available The successful miniaturisation of extremely accurate atomic clocks and atom interferometers invites prospects for satellite missions to perform precision experiments. We discuss the effects predicted by general relativity and alternative theories of gravity that can be detected by a clock, which orbits the Earth. Our experiment relies on the precise tracking of the spacecraft using its observed tick-rate. The spacecraft’s reconstructed four-dimensional trajectory will reveal the nature of gravitational perturbations in Earth’s gravitational field, potentially differentiating between different theories of gravity. This mission can measure multiple relativistic effects all during the course of a single experiment, and constrain the Parametrized Post-Newtonian Parameters around the Earth. A satellite carrying a clock of fractional timing inaccuracy of Δ f / f ∼ 10−16 in an elliptic orbit around the Earth would constrain the PPN parameters |β − 1|, |γ − 1| ≲ 10−6. We also briefly review potential constraints by atom interferometers on scalar tensor theories and in particular on Chameleon and dilaton models.

The fifth international symposium ''atomic cluster collisions''. ISACC 2011. Book of Abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2011-07-01

The Fifth International Symposium ''Atomic Cluster Collisions'' (ISACC 2011) will take place in July 21-25, 2011 in Berlin, Germany. The venue of the meeting will be the St.-Michaels-Heim a lovely place located within a garden area of Berlin-Grunewald. The ISACC 2011 is organized by the Fritz-Haber-Institute of the Max- Planck Society along with the King Saud University, Rhiyadh and by the Frankfurt Institute for Advanced Studies (FIAS), Frankfurt am Main, Germany. ISACC started as the international symposium on atomic cluster collisions in St. Petersburg, Russia in 2003. The second ISACC was held at the GSI, Darmstadt, Germany in 2007. Both first and second symposia were satellites of the International Conferences on Photonic Electronic and Atomic Collisions (ICPEAC). The third ISACC has returned to St. Petersburg, Russia in 2008. The last ISACC took place in Ann Arbor, again as a satellite meeting of the ICPEAC. Initially the symposium was mainly focused on dynamics of atomic clusters, especially in atomic cluster collisions, but since then its scope has been widened significantly to include dynamics of nanosystems, biomolecules, and macromolecules with the emphasis on the similarity of numerous essential clustering phenomena arising in different branches of physics, chemistry, and biology. After the four ISACC meetings it has become clear that there is a need for an interdisciplinary conference covering a broad range of topics related to the Dynamics of Systems on a Nanoscale. Therefore in 2010 it was decided to expand upon this series of meetings with a new conference organized under the new title ''Dynamics of Systems on the Nanoscale'', the DySoN Conference, since this title better reflects the interdisciplinary character of the earlier ISACC meetings embracing all the topics of interest under a common theme. The first DySoN Conference took place in Rome, Italy in 2010. The fifth ISACC symposium will be again a

International Conference 'Current Problems in Nuclear Physics and Atomic Energy'. May 29 - Jun 03 2006. Book of Abstracts

International Nuclear Information System (INIS)

Vyshnevskyi, I.M.

2006-01-01

The collective processes in atomic nuclei, nuclear reactions and processes with exotic nuclei, rare nuclear processes, relativistic nuclear physics, neutron physics, physics of nuclear reactors, problems of atomic energy and reactors of the future, applied nuclear physics and technique of experiments was discussed in this conference

Atom-resolved AFM imaging of calcite nanoparticles in water

Energy Technology Data Exchange (ETDEWEB)

Imada, Hirotake; Kimura, Kenjiro [Department of Chemistry, School of Science, Kobe University, Rokko-dai, Nada, Kobe 657-8501 (Japan); Onishi, Hiroshi, E-mail: oni@kobe-u.ac.jp [Department of Chemistry, School of Science, Kobe University, Rokko-dai, Nada, Kobe 657-8501 (Japan)

2013-06-20

Highlights: ► An advanced frequency-modulation AFM (FM-AFM) was applied for imaging particles. ► Atom-resolved topography of nano-sized particles of calcite was observed in water. ► Locally ordered structures were found and assigned to a (104) facet of calcite. ► A promising ability of FM-AFM was demonstrated in imaging nano-sized particles. - Abstract: The atom-resolved topography of calcite nanoparticles was observed in water using a frequency-modulation atomic force microscope. Locally ordered structures were found and assigned to a (104) facet of crystalline calcite.

Atom-resolved AFM imaging of calcite nanoparticles in water

International Nuclear Information System (INIS)

Imada, Hirotake; Kimura, Kenjiro; Onishi, Hiroshi

2013-01-01

Highlights: ► An advanced frequency-modulation AFM (FM-AFM) was applied for imaging particles. ► Atom-resolved topography of nano-sized particles of calcite was observed in water. ► Locally ordered structures were found and assigned to a (104) facet of calcite. ► A promising ability of FM-AFM was demonstrated in imaging nano-sized particles. - Abstract: The atom-resolved topography of calcite nanoparticles was observed in water using a frequency-modulation atomic force microscope. Locally ordered structures were found and assigned to a (104) facet of crystalline calcite

Temporal Concurrent Constraint Programming

DEFF Research Database (Denmark)

Valencia, Frank Dan

Concurrent constraint programming (ccp) is a formalism for concurrency in which agents interact with one another by telling (adding) and asking (reading) information in a shared medium. Temporal ccp extends ccp by allowing agents to be constrained by time conditions. This dissertation studies...... temporal ccp by developing a process calculus called ntcc. The ntcc calculus generalizes the tcc model, the latter being a temporal ccp model for deterministic and synchronouss timed reactive systems. The calculus is built upon few basic ideas but it captures several aspects of timed systems. As tcc, ntcc...... structures, robotic devises, multi-agent systems and music applications. The calculus is provided with a denotational semantics that captures the reactive computations of processes in the presence of arbitrary environments. The denotation is proven to be fully-abstract for a substantial fragment...

Dynamic evolution of double Λ five-level atom interacting with one ...

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics; Volume 89; Issue 6. Dynamic evolution ... Five-level atom; squeezing; collapse revivals. Abstract. In this paper, the model describing a double Λ five-level atom interacting with a single mode electromagnetic cavity field in the (off) non-resonate case is studied. We obtained the ...

Abstract Expression Grammar Symbolic Regression

Science.gov (United States)

Korns, Michael F.

This chapter examines the use of Abstract Expression Grammars to perform the entire Symbolic Regression process without the use of Genetic Programming per se. The techniques explored produce a symbolic regression engine which has absolutely no bloat, which allows total user control of the search space and output formulas, which is faster, and more accurate than the engines produced in our previous papers using Genetic Programming. The genome is an all vector structure with four chromosomes plus additional epigenetic and constraint vectors, allowing total user control of the search space and the final output formulas. A combination of specialized compiler techniques, genetic algorithms, particle swarm, aged layered populations, plus discrete and continuous differential evolution are used to produce an improved symbolic regression sytem. Nine base test cases, from the literature, are used to test the improvement in speed and accuracy. The improved results indicate that these techniques move us a big step closer toward future industrial strength symbolic regression systems.

Modifier constraint in alkali borophosphate glasses using topological constraint theory

Energy Technology Data Exchange (ETDEWEB)

Li, Xiang [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Zeng, Huidan, E-mail: hdzeng@ecust.edu.cn [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Jiang, Qi [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Zhao, Donghui [Unifrax Corporation, Niagara Falls, NY 14305 (United States); Chen, Guorong [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China); Wang, Zhaofeng; Sun, Luyi [Department of Chemical & Biomolecular Engineering and Polymer Program, Institute of Materials Science, University of Connecticut, Storrs, CT 06269 (United States); Chen, Jianding [Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237 (China)

2016-12-01

In recent years, composition-dependent properties of glasses have been successfully predicted using the topological constraint theory. The constraints of the glass network are derived from two main parts: network formers and network modifiers. The constraints of the network formers can be calculated on the basis of the topological structure of the glass. However, the latter cannot be accurately calculated in this way, because of the existing of ionic bonds. In this paper, the constraints of the modifier ions in phosphate glasses were thoroughly investigated using the topological constraint theory. The results show that the constraints of the modifier ions are gradually increased with the addition of alkali oxides. Furthermore, an improved topological constraint theory for borophosphate glasses is proposed by taking the composition-dependent constraints of the network modifiers into consideration. The proposed theory is subsequently evaluated by analyzing the composition dependence of the glass transition temperature in alkali borophosphate glasses. This method is supposed to be extended to other similar glass systems containing alkali ions.

Development of constraint algorithm for the number of electrons in molecular orbitals consisting mainly 4f atomic orbitals of rare-earth elements and its introduction to tight-binding quantum chemical molecular dynamics method

International Nuclear Information System (INIS)

Endou, Akira; Onuma, Hiroaki; Jung, Sun-ho

2007-01-01

Our original tight-binding quantum chemical molecular dynamics code, Colors', has been successfully applied to the theoretical investigation of complex materials including rare-earth elements, e.g., metal catalysts supported on a CeO 2 surface. To expand our code so as to obtain a good convergence for the electronic structure of a calculation system including a rare-earth element, we developed a novel algorithm to provide a constraint condition for the number of electrons occupying the selected molecular orbitals that mainly consist of 4f atomic orbitals of the rare-earth element. This novel algorithm was introduced in Colors. Using Colors, we succeeded in obtaining the classified electronic configurations of the 4f atomic orbitals of Ce 4+ and reduced Ce ions in a CeO 2 bulk model with one oxygen defect, which makes it difficult to obtain a good convergence using a conventional first-principles quantum chemical calculation code. (author)

Decaying Dark Atom Constituents and Cosmic Positron Excess

DEFF Research Database (Denmark)

Belotsky, K.; Khlopov, M.; Kouvaris, C.

2014-01-01

We present a scenario where dark matter is in the form of dark atoms that can accommodate the experimentally observed excess of positrons in PAMELA and AMS-02 while being compatible with the constraints imposed on the gamma-ray ux from Fermi/LAT. This scenario assumes that the dominant component...... of dark matter is in the form of a bound state between a helium nucleus and a -2 particle and a small component is in the form of a WIMP-like dark atom compatible with direct searches in underground detectors. One of the constituents of this WIMP-like state is a +2 metastable particle with a mass of 1 Te...... baryons in the universe to be close to -3....

Formalization of taxon-based constraints to detect inconsistencies in annotation and ontology development

Directory of Open Access Journals (Sweden)

Mungall Christopher J

2010-10-01

Full Text Available Abstract Background The Gene Ontology project supports categorization of gene products according to their location of action, the molecular functions that they carry out, and the processes that they are involved in. Although the ontologies are intentionally developed to be taxon neutral, and to cover all species, there are inherent taxon specificities in some branches. For example, the process 'lactation' is specific to mammals and the location 'mitochondrion' is specific to eukaryotes. The lack of an explicit formalization of these constraints can lead to errors and inconsistencies in automated and manual annotation. Results We have formalized the taxonomic constraints implicit in some GO classes, and specified these at various levels in the ontology. We have also developed an inference system that can be used to check for violations of these constraints in annotations. Using the constraints in conjunction with the inference system, we have detected and removed errors in annotations and improved the structure of the ontology. Conclusions Detection of inconsistencies in taxon-specificity enables gradual improvement of the ontologies, the annotations, and the formalized constraints. This is progressively improving the quality of our data. The full system is available for download, and new constraints or proposed changes to constraints can be submitted online at https://sourceforge.net/tracker/?atid=605890&group_id=36855.

International Conference on the Interaction of atoms, molecules and plasmas with intense ultrashort laser pulses. Book of abstracts

International Nuclear Information System (INIS)

2006-01-01

International Conference on the Interaction of atoms, molecules and plasmas with intense ultrashort laser pulses was held in Hungary in 2006. This conference which joined the ULTRA COST activity ('Laser-matter interactions with ultra-short pulses, high-frequency pulses and ultra-intense pulses. From attophysics to petawatt physics') and the XTRA ('Ultrashort XUV Pulses for Time-Resolved and Non-Linear Applications') Marie-Curie Research Training Network, intends to offer a possibility to the members of both of these activities to exchange ideas on recent theoretical and experimental results on the interaction of ultrashort laser pulses with matter giving a broad view from theoretical models to practical and technical applications. Ultrashort laser pulses reaching extra high intensities open new windows to obtain information about molecular and atomic processes. These pulses are even able to penetrate into atomic scalelengths not only by generating particles of ultrahigh energy but also inside the spatial and temporal atomic scalelengths. New regimes of laser-matter interaction were opened in the last decade with an increasing number of laboratories and researchers in these fields. (S.I.)

Exploring the impact of constraints in quantum optimal control through a kinematic formulation

International Nuclear Information System (INIS)

Donovan, Ashley; Beltrani, Vincent; Rabitz, Herschel

2013-01-01

Highlights: • This work lays a foundation for studying constraints in quantum control simulations. • The underlying quantum control landscape in the presence of constraints is explored. • Constrained controls can encounter suboptimal traps in the landscape. • The controls are kinematic stand-ins for dynamic time-dependent controls. • A method is developed to transfer between constrained kinematic and dynamic controls. - Abstract: The control of quantum dynamics with tailored laser fields is finding growing experimental success. In practice, experiments will be subject to constraints on the controls that may prevent full optimization of the objective. A framework is presented for systematically investigating the impact of constraints in quantum optimal control simulations using a two-stage process starting with simple time-independent kinematic controls, which act as stand-ins for the traditional dynamic controls. The objective is a state-to-state transition probability, and constraints are introduced by restricting the kinematic control variables during optimization. As a second stage, the means to map from kinematic to dynamic controls is presented, thus enabling a simplified overall procedure for exploring how limited resources affect the ability to optimize the objective. A demonstration of the impact of imposing several types of kinematic constraints is investigated, thereby offering insight into constrained quantum controls

Atomic Processes in Plasmas: Tenth Topical Conference. Proceedings

International Nuclear Information System (INIS)

Osterheld, A.L.; Goldstein, W.H.

1997-01-01

These proceedings contain the papers presented at the 10th topical conference on atomic processes in plasmas held in San Francisco, California. This conference series provides a forum for those whose research overlaps atomic and plasma physics. The topics discussed included tokamak plasmas, x-ray sources and x-ray lasers, dense plasmas, laser plasmas, radiative opacity and atomic databases. Among the sponsors of this conference were the Office of Fusion Energy and the Office of Energy Research of the U.S. department of Energy and Lawrence Livermore National Laboratory. There were 30 papers presented and 28 have been abstracted for the Energy Science and Technology database

Graphical constraints: a graphical user interface for constraint problems

OpenAIRE

Vieira, Nelson Manuel Marques

2015-01-01

A constraint satisfaction problem is a classical artificial intelligence paradigm characterized by a set of variables (each variable with an associated domain of possible values), and a set of constraints that specify relations among subsets of these variables. Solutions are assignments of values to all variables that satisfy all the constraints. Many real world problems may be modelled by means of constraints. The range of problems that can use this representation is very diverse and embrace...

Nonspherical atomic ground-state densities and chemical deformation densities from x-ray scattering

International Nuclear Information System (INIS)

Ruedenberg, K.; Schwarz, W.H.E.

1990-01-01

Presuming that chemical insight can be gained from the difference between the molecular electron density and the superposition of the ground-state densities of the atoms in a molecule, it is pointed out that, for atoms with degenerate ground states, an unpromoted ''atom in a molecule'' is represented by a specific ensemble of the degenerate atomic ground-state wave functions and that this ensemble is determined by the anisotropic local surroundings. The resulting atomic density contributions are termed oriented ground state densities, and the corresponding density difference is called the chemical deformation density. The constraints implied by this conceptual approach for the atomic density contributions are formulated and a method is developed for determining them from x-ray scattering data. The electron density of the appropriate promolecule and its x-ray scattering are derived, the determination of the parameters of the promolecule is outlined, and the chemical deformation density is formulated

Meteorology and atomic energy

International Nuclear Information System (INIS)

Anon.

1986-01-01

The science of meteorology is useful in providing information that will be of assistance in the choice of favorable plant locations and in the evaluation of significant relations between meteorology and the design, construction, and operation of plant and facilities, especially those from which radioactive or toxic products could be released to the atmosphere. Under a continuing contract with the Atomic Energy Commission, the Weather Bureau has carried out this study. Some of the meteorological techniques that are available are summarized, and their applications to the possible atmospheric pollution deriving from the use of atomic energy are described. Methods and suggestions for the collection, analysis, and use of meteorological data are presented. Separate abstracts are included of 12 chapters in this publication for inclusion in the Energy Data Base

The atomic hypothesis: physical consequences

International Nuclear Information System (INIS)

Rivas, Martin

2008-01-01

The hypothesis that matter is made of some ultimate and indivisible objects, together with the restricted relativity principle, establishes a constraint on the kind of variables we are allowed to use for the variational description of elementary particles. We consider that the atomic hypothesis not only states the indivisibility of elementary particles, but also that these ultimate objects, if not annihilated, cannot be modified by any interaction so that all allowed states of an elementary particle are only kinematical modifications of any one of them. Therefore, an elementary particle cannot have excited states. In this way, the kinematical group of spacetime symmetries not only defines the symmetries of the system, but also the variables in terms of which the mathematical description of the elementary particles can be expressed in either the classical or the quantum mechanical description. When considering the interaction of two Dirac particles, the atomic hypothesis restricts the interaction Lagrangian to a kind of minimal coupling interaction

Atomic spectral-product representations of molecular electronic structure: metric matrices and atomic-product composition of molecular eigenfunctions.

Science.gov (United States)

Ben-Nun, M; Mills, J D; Hinde, R J; Winstead, C L; Boatz, J A; Gallup, G A; Langhoff, P W

2009-07-02

Recent progress is reported in development of ab initio computational methods for the electronic structures of molecules employing the many-electron eigenstates of constituent atoms in spectral-product forms. The approach provides a universal atomic-product description of the electronic structure of matter as an alternative to more commonly employed valence-bond- or molecular-orbital-based representations. The Hamiltonian matrix in this representation is seen to comprise a sum over atomic energies and a pairwise sum over Coulombic interaction terms that depend only on the separations of the individual atomic pairs. Overall electron antisymmetry can be enforced by unitary transformation when appropriate, rather than as a possibly encumbering or unnecessary global constraint. The matrix representative of the antisymmetrizer in the spectral-product basis, which is equivalent to the metric matrix of the corresponding explicitly antisymmetric basis, provides the required transformation to antisymmetric or linearly independent states after Hamiltonian evaluation. Particular attention is focused in the present report on properties of the metric matrix and on the atomic-product compositions of molecular eigenstates as described in the spectral-product representations. Illustrative calculations are reported for simple but prototypically important diatomic (H(2), CH) and triatomic (H(3), CH(2)) molecules employing algorithms and computer codes devised recently for this purpose. This particular implementation of the approach combines Slater-orbital-based one- and two-electron integral evaluations, valence-bond constructions of standard tableau functions and matrices, and transformations to atomic eigenstate-product representations. The calculated metric matrices and corresponding potential energy surfaces obtained in this way elucidate a number of aspects of the spectral-product development, including the nature of closure in the representation, the general redundancy or

Atomic spectroscopy sympsoium, Gaithersburg, Maryland, September 23--26, 1975

International Nuclear Information System (INIS)

1975-01-01

Abstracts of one hundred papers given at the conference are presented along with the conference program and an author index. Session topics include: highly ionized atoms; laser spectroscopy and hyperfine structure; complex spectra; laser spectroscopy, radiation theory; theory of highly ionized atoms and analysis of plasmas; plasma spectroscopy, line strengths; spectral analysis, instrumentation, reference wavelengths; beam foil spectroscopy, line strengths, energy levels; absorption spectroscopy, autoionization, and related theory; and spectral analysis, instrumentation, and VUV physics

ABSTRACT

African Journals Online (AJOL)

in Imo state, the gender-perceived production constraints; the relative ... to establishing if stereotyping such operations along gender lines will ... difference in returns accruing to male and female small ruminant ..... The bias against Sheep and.

Comparison of 4 analytical techniques based on atomic spectrometry for the determination of total tin in canned foodstuffs

OpenAIRE

2011-01-01

Abstract Different techniques for the determination of total tin in beverage and canned food by atomic spectrometry were compared. The performance characteristics of Inductively Coupled Plasma Mass Spectrometry (ICP-MS), Hydride Generation Inductively Coupled Plasma Atomic Emission Spectrometry (HG-ICP-AES), Electrothermal Atomization Atomic Absorption Spectrometry (ETA-AAS) and Inductively Coupled Plasma Atomic Emission Spectrometry (ICP-AES) were determined in term of linearity, ...

55. Annual symposium of the Austrian Physical Society. Abstracts

International Nuclear Information System (INIS)

Vogl, G.; Sepiol, B.

2005-01-01

Full text: The 55 th Annual Symposium of the Austrian Physical Society was held from 27.-29. September 2005 at the University of Vienna (Austria), it consisted of a plenary session, oral and poster sessions devoted to: acoustics; women and physics; atomic-, molecular- and plasma physics; solid physics; nuclear and particle physics; medical-, bio-and environmental physics; neutrons and synchrotron radiation physics; surface and thin film analysis and quantum electronics, electrodynamics and optics. Topics such as graphs quantization, molecular interferometry, Brownian movement, ion beam diagnostics, electron emission, optical pumping, Bose-Einstein condensates, molecular matter waves, double-wall carbon nanotubes, quantum dots, ferromagnetic nanocomposites, nanowires, transmission electron microscopy analysis of nanostructures, nanocrystals studies, atomic defects in intermetallic compounds, electron energy loss spectroscopy of intermetallic compounds, CHIRALTEM project, covariance data, nuclear astrophysics, kaonic atoms, pionic hydrogen, geometric phase measurements with neutrons, International linear collider project, ATLAS muon spectrometer, ATLAS detector, LHC's protection system, baryon structure, QCD, lattice QCD, coherent tomography, light microscopy, high resolution magnetic resonance imaging, polymer gel dosimetry, radon microdosimetry, traffic air pollutants, BVOC seasonal variations, biogenic VOC emissions, ice dating, synchrotron small angle x-ray diffraction, small angle neutron scattering, stepped surfaces oxidation, grazing incidence synchrotron reflexion studies, magnetic thin films, atoms quantum dynamics, quantum entanglement, BEC and quantum gases experiments were discussed. This book of abstracts contains their summaries and those contributions which are in the INIS subject scope are indexed individually. (nevyjel)

From physical dose constraints to equivalent uniform dose constraints in inverse radiotherapy planning

International Nuclear Information System (INIS)

Thieke, Christian; Bortfeld, Thomas; Niemierko, Andrzej; Nill, Simeon

2003-01-01

Optimization algorithms in inverse radiotherapy planning need information about the desired dose distribution. Usually the planner defines physical dose constraints for each structure of the treatment plan, either in form of minimum and maximum doses or as dose-volume constraints. The concept of equivalent uniform dose (EUD) was designed to describe dose distributions with a higher clinical relevance. In this paper, we present a method to consider the EUD as an optimization constraint by using the method of projections onto convex sets (POCS). In each iteration of the optimization loop, for the actual dose distribution of an organ that violates an EUD constraint a new dose distribution is calculated that satisfies the EUD constraint, leading to voxel-based physical dose constraints. The new dose distribution is found by projecting the current one onto the convex set of all dose distributions fulfilling the EUD constraint. The algorithm is easy to integrate into existing inverse planning systems, and it allows the planner to choose between physical and EUD constraints separately for each structure. A clinical case of a head and neck tumor is optimized using three different sets of constraints: physical constraints for all structures, physical constraints for the target and EUD constraints for the organs at risk, and EUD constraints for all structures. The results show that the POCS method converges stable and given EUD constraints are reached closely

Evolution of female carotenoid coloration by sexual constraint in Carduelis finches

Directory of Open Access Journals (Sweden)

Cardoso Gonçalo C

2010-03-01

Full Text Available Abstract Background Females often express the same ornaments as males to a similar or lesser degree. Female ornaments can be adaptive, but little is known regarding their origins and mode of evolution. Current utility does not imply evolutionary causation, and therefore it is possible that female ornamentation evolved due to selection on females, as a correlated response to selection on males (sexual constraint, or a combination of both. We tested these ideas simulating simple models for the evolution of male and female correlated traits, and compared their predictions against the coloration of finches in the genus Carduelis. Results For carotenoid-based ornamental coloration, a model of sexual constraint on females fits the Carduelis data well. The two alternative models (sexual constraint on males, and mutual constraint were rejected as causing the similarities in carotenoid coloration between males and females. For melanin coloration, the correlation between the sexes was weaker, indicating that males and females evolved independently to a greater extent. Conclusions This indicates that sexual constraint on females was an important mechanism for the evolution of ornamental carotenoid coloration in females, but less so for melanin coloration. This does not mean that female carotenoid coloration is non-adaptive or maladaptive, because sexual dichromatism could evolve if it were maladaptive. It suggests, however, that most evolution of female carotenoid coloration was male-driven and, when adaptive, may not be an adaptation stricto sensu.

US-Japan Workshop on atomic-collision data for fusion

International Nuclear Information System (INIS)

Crandall, D.H.; Hafford, P.M.; Itikawa, Y.

1981-04-01

This report, containing abstracts of each of the presentations and discussions, includes: brief talks on the applications of atomic data in tokamaks and in inertial confinement; reviews of the specific atomic collisions projects for fusion in Japan and the United States; discussions of how the data centers operate and manner of exchanging data; brief reviews of the status of electron-ion scattering and ion-atom scattering; discussions of criteria to be used in evaluating and selecting both experimental and theoretical data in these two areas; comparisons of data selected for each of six specific collision reactions which were evaluated by both groups prior to the workshop; brief reviews of activities in the related areas of atomic structure and plasma wall interactions; and a decision to pursue a joint or collaborative compilation of recommended cross sections for oxygen ions for electron impact excitation and electron capture from atomic hydrogen

Book of abstracts. Invited and contributed papers

International Nuclear Information System (INIS)

1995-01-01

The book is a collection of abstracts submitted to the International Nuclear Physics Conference held in August 21-26 1995 in Beijing, China. The conference is organized by China Institute of Atomic Energy. The main topics of the conference are: relativistic nuclear collisions, mesons and baryons in nuclei, hadron structure and quarks in nuclei, formation and properties of hot nuclei, nuclear reactions at low and intermediate energies, nuclear structure, radioactive nuclear beams, nuclear astrophysics, fundamental interaction and symmetries, applied nuclear physics. This second part contains papers about nuclear reactions at low and intermediate energies, nuclear structure, radioactive nuclear beams, nuclear astrophysics, fundamental interaction and symmetries, applied nuclear physics, and the author index

Primary populations of metastable antiprotonic $^{4}He$ and $^{3}He$ atoms

CERN Document Server

Hori, Masaki; Hayano, R S; Ishikawa, T; Sakuguchi, J; Tasaki, T; Widmann, E; Yamaguchi, H; Torii, H A; Juhász, B; Horváth, D; Yamazaki, T

2002-01-01

Initial population distributions of metastable antiprotonic **4He and **3He atoms over principal and angular momentum quantum numbers were investigated using laser spectroscopy. The total fractions of antiprotons captured into the metastable states of the atoms were deduced. Cascade calculations were performed using the measure populations to reproduce the delayed annihilation time spectrum. Results showed agreement between the simulated and measured spectra. (Edited abstract) 30 Refs.

Anapole Moment and Other Constraints on the Strangeness Conserving Hadronic Weak

Energy Technology Data Exchange (ETDEWEB)

Ching-Pang Liu; Michael Ramsey-Musolf; Wick Haxton

2001-06-04

Standard analyses of low-energy NN and nuclear parity-violating observables have been based on a pi-, rho-, and omega-exchange model capable of describing all five independent s-p partial waves. Here a parallel analysis is performed for the one-body, exchange-current, and nuclear polarization contributions to the anapole moments of 133Cs and 205Tl. The resulting constraints are not consistent, though there remains some degree of uncertainty in the nuclear structure analysis of the atomic moments.

Constraints on dephasing widths and shifts in three-level quantum systems

International Nuclear Information System (INIS)

Berman, P.R.; O'Connell, Ross C.

2005-01-01

It is shown that the density matrix equations for a three-level quantum system interacting with external radiation fields can lead to negative populations if arbitrary dephasing rates and shifts are included in these equations. To guarantee non-negative populations, the equations themselves impose certain restrictions on the dephasing widths and shifts. The constraints on the widths are shown to be identical to those that can be derived from a model of Markovian dephasing events, independent of any atom-field interaction

Anapole Moment and Other Constraints on the Strangeness Conserving Hadronic Weak

International Nuclear Information System (INIS)

Ching-Pang Liu; Michael Ramsey-Musolf; Wick Haxton

2001-01-01

Standard analyses of low-energy NN and nuclear parity-violating observables have been based on a pi-, rho-, and omega-exchange model capable of describing all five independent s-p partial waves. Here a parallel analysis is performed for the one-body, exchange-current, and nuclear polarization contributions to the anapole moments of 133Cs and 205Tl. The resulting constraints are not consistent, though there remains some degree of uncertainty in the nuclear structure analysis of the atomic moments

Maxwell rigidity and topological constraints in amorphous phase-change networks

International Nuclear Information System (INIS)

Micoulaut, M.; Otjacques, C.; Raty, J.-Y.; Bichara, C.

2011-01-01

By analyzing first-principles molecular-dynamics simulations of different telluride amorphous networks, we develop a method for the enumeration of radial and angular topological constraints, and show that the phase diagram of the most popular system Ge-Sb-Te can be split into two compositional elastic phases: a tellurium rich flexible phase and a stressed rigid phase that contains most of the materials used in phase-change applications. This sound atomic scale insight should open new avenues for the understanding of phase-change materials and other complex amorphous materials from the viewpoint of rigidity.

On the connection between the hydrogen atom and the harmonic oscillator: the continuum case

International Nuclear Information System (INIS)

Kibler, M.; Negadi, T.

1983-05-01

The connection between a three-dimensional nonrelativistic hydrogen atom with positive energy and a four-dimensional isotropic harmonic oscillator with repulsive potential is established by applying Jordan-Schwinger boson calculus to the algebra of the Laplace-Runge-Lenz-Pauli vector. The spectrum generating group SO(4,2) both for the bound and free states of the three-dimensional hydrogen atom arises as a quotient of the group Sp(8,R) associated to a four-dimensional isotropic harmonic oscillator with constraint

Constraint-Muse: A Soft-Constraint Based System for Music Therapy

Science.gov (United States)

Hölzl, Matthias; Denker, Grit; Meier, Max; Wirsing, Martin

Monoidal soft constraints are a versatile formalism for specifying and solving multi-criteria optimization problems with dynamically changing user preferences. We have developed a prototype tool for interactive music creation, called Constraint Muse, that uses monoidal soft constraints to ensure that a dynamically generated melody harmonizes with input from other sources. Constraint Muse provides an easy to use interface based on Nintendo Wii controllers and is intended to be used in music therapy for people with Parkinson’s disease and for children with high-functioning autism or Asperger’s syndrome.

Study of the selective abstration reaction of the hydrogen atom in the radiolysis and photolysis of alkane mixture at 77 K

International Nuclear Information System (INIS)

Guedes, S.M.L.

1979-01-01

The occurence of the selective abstraction reaction of the solute hydrogen atom by hydrogen atom produced during radiolysis or photolysis of the systems such as neopentane/cyclo-hexane/HI, neopentane/2,3 dimethylbutane, n-pentane/HI/cyclo-hexane and cyclo-hexane/HI/n-pentane, at 77 K is studied. Experiments have been undertaken on the kinetics nature of the active species, the H atom, during radiolysis and photolysis of the neopentane/cyclo-hexane/HI system at 77 K, presenting competitive reactions. Studies have also been made on the occurrence of the selective abstraction reaction in inverted systems, in which the concentrations of the components of a system are so much altered that the solute becomes the solvent and vice-versa, in the other system. By means of photolysis at 77 K, it has been observed that for the two systems constitued by the cyclo-hexane and n-pentane the selective abstraction reaction occurs. However, for radiolysis of that same two systems it has been observed that only the hydrogen atom abstraction reaction corresponding to the solvent occurs. (Author) [pt

The atomic simulation environment-a Python library for working with atoms.

Science.gov (United States)

Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D; Jennings, Paul C; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W

2017-07-12

The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple 'for-loop' construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

24. International Conference on Atomic Collisions in Solids ICACS-24

International Nuclear Information System (INIS)

2010-01-01

This Book contains the abstracts of invited and contributed talks submitted for presentation at the 24 th International Conference on Atomic Collisions in Solids - ICACS-24. Out of nearly 200 submitted abstracts the International Programme Committee selected 46 oral and 89 poster contributions. Furthermore, 15 plenary invited lectures and the honorary Lindhard lecture are included in the scientific program. An additional tutorial day with 4 tutorial lectures is organised on Sunday prior to the Conference.

Proceedings of the workshop on atomic physics with fast heavy-ion beams

International Nuclear Information System (INIS)

Kanter, E.P.; Minchinton, A.

1983-01-01

The Workshop on Atomic Physics with Fast Heavy-Ion Beams was held in the Physics Division, Argonne National Laboratory on January 20 and 21, 1983. The meeting brought together approx. 50 practitioners in the field of accelerator-based atomic physics. The workshop was held to focus attention on possible areas of atomic physics research which would benefit from use of the newest generation of accelerators designed to produce intense high-quality beams of fast heavy ions. Abstracts of individual paper were prepared separately for the data base

Scars remaining in atom bomb survivors: a four year follow-up study. The status of lenticular opacities caused by atomic radiation, Hiroshima and Nagasaki, Japan, 1951-1953

Energy Technology Data Exchange (ETDEWEB)

Wells, W; Tsukifuji, Neal; Sinskey, R M

1959-01-01

Two studies on injuries suffered by survivors of the atomic explosions on Hiroshima and Nagasaki are described. Separate abstracts have been prepared for each paper for inclusion in the Energy Database. (DMC)

Gesturing more diminishes recall of abstract words when gesture is allowed and concrete words when it is taboo.

Science.gov (United States)

Matthews-Saugstad, Krista M; Raymakers, Erik P; Kelty-Stephen, Damian G

2017-07-01

Gesture during speech can promote or diminish recall for conversation content. We explored effects of cognitive load on this relationship, manipulating it at two scales: individual-word abstractness and social constraints to prohibit gestures. Prohibited gestures can diminish recall but more so for abstract-word recall. Insofar as movement planning adds to cognitive load, movement amplitude may moderate gesture effects on memory, with greater permitted- and prohibited-gesture movements reducing abstract-word recall and concrete-word recall, respectively. We tested these effects in a dyadic game in which 39 adult participants described words to confederates without naming the word or five related words. Results supported our expectations and indicated that memory effects of gesturing depend on social, cognitive, and motoric aspects of discourse.

Schwinger variational calculation of ionization of hydrogen atoms for ...

Indian Academy of Sciences (India)

Schwinger variational calculation of ionization of hydrogen atoms for large momentum transfers. K CHAKRABARTI. Department of Mathematics, Scottish Church College, 1 & 3 Urquhart Square,. Kolkata 700 006, India. MS received 7 July 2001; revised 10 October 2001. Abstract. Schwinger variational principle is used here ...

Causality problem in atomic physics

Energy Technology Data Exchange (ETDEWEB)

Bor, N

1985-10-01

The casuality problem in atomic physics is analysed by Bohr in a wide methodological context. The first part of the paper is a short historical essay picturing the entry of statistical concepts into physics. Bohr underlines a close relationship between an unavoidably probabilitic nature of the quantum theory and quantum postulates introducing the alien-to-classical-physics concepts of integrity, individuality of atomic processes. In the second central part of the paper Bohr discusses the casuality problems in atomic physics in detail and shows that their solution requires a careful analysis of the observation process. Proceeding from the program methodological requirement to describe the measuring instrumentation operation and observation results in the language of classical physics, he explains that the statistical character of the uncertainty relationships expresses a substantial specifically quantum constraint to the applicifically of classical conceptions analyses of microphenomena. Then Bohr refines in principle the notion ''phenomenon'', as one of the central notions among those he employed for the formulation of his complementarity principle. According to bohr a phenomenon should be under-stood as an unambiguously present situation of a completed experiment. Therefore, it is erroneous to speak of the phenomenon perturbation by the observation. The final part of the article deals with the discussion of methodological parallels of the quantum theory and relativity theory.

Reduction of Constraints: Applicability of the Homogeneity Constraint for Macrobatch 3

International Nuclear Information System (INIS)

Peeler, D.K.

2001-01-01

The Product Composition Control System (PCCS) is used to determine the acceptability of each batch of Defense Waste Processing Facility (DWPF) melter feed in the Slurry Mix Evaporator (SME). This control system imposes several constraints on the composition of the contents of the SME to define acceptability. These constraints relate process or product properties to composition via prediction models. A SME batch is deemed acceptable if its sample composition measurements lead to acceptable property predictions after accounting for modeling, measurement and analytic uncertainties. The baseline document guiding the use of these data and models is ''SME Acceptability Determination for DWPF Process Control (U)'' by Brown and Postles [1996]. A minimum of three PCCS constraints support the prediction of the glass durability from a given SME batch. The Savannah River Technology Center (SRTC) is reviewing all of the PCCS constraints associated with durability. The purpose of this review is to revisit these constraints in light of the additional knowledge gained since the beginning of radioactive operations at DWPF and to identify any supplemental studies needed to amplify this knowledge so that redundant or overly conservative constraints can be eliminated or replaced by more appropriate constraints

The relative reactivities of ethane, ethane-d6, n-butane and neopentane towards 'hot' tritium atoms

International Nuclear Information System (INIS)

Urch, D.S.; Welch, M.J.

1974-01-01

The reactions of recoil tritium with ethane-butane, and ethane-neopentane mixtures have been studied in the presence and absence of helium moderator. It is shown that the larger molecules are labelled by recoil atoms of a higher mean energy than those which label ethane. It is also shown that hydrogen atoms at CH 2 sites are replaced by higher energy tritium atoms than those at CH 3 sites. An analogy is drawn with the abstraction reaction and a simple unified model for high-energy recoil tritium reactions at a C-H site is proposed. The more complex the other groups attached to the carbon the greater the mean energy of the recoil atoms reacting with the C-H bond. Experiments with ethane-d 6 established that the primary isotope effect for abstraction is comparable to that for displacement with a value of 1.25 approximately 1.30. (orig.) [de

A Bayesian Theory of Sequential Causal Learning and Abstract Transfer.

Science.gov (United States)

Lu, Hongjing; Rojas, Randall R; Beckers, Tom; Yuille, Alan L

2016-03-01

Two key research issues in the field of causal learning are how people acquire causal knowledge when observing data that are presented sequentially, and the level of abstraction at which learning takes place. Does sequential causal learning solely involve the acquisition of specific cause-effect links, or do learners also acquire knowledge about abstract causal constraints? Recent empirical studies have revealed that experience with one set of causal cues can dramatically alter subsequent learning and performance with entirely different cues, suggesting that learning involves abstract transfer, and such transfer effects involve sequential presentation of distinct sets of causal cues. It has been demonstrated that pre-training (or even post-training) can modulate classic causal learning phenomena such as forward and backward blocking. To account for these effects, we propose a Bayesian theory of sequential causal learning. The theory assumes that humans are able to consider and use several alternative causal generative models, each instantiating a different causal integration rule. Model selection is used to decide which integration rule to use in a given learning environment in order to infer causal knowledge from sequential data. Detailed computer simulations demonstrate that humans rely on the abstract characteristics of outcome variables (e.g., binary vs. continuous) to select a causal integration rule, which in turn alters causal learning in a variety of blocking and overshadowing paradigms. When the nature of the outcome variable is ambiguous, humans select the model that yields the best fit with the recent environment, and then apply it to subsequent learning tasks. Based on sequential patterns of cue-outcome co-occurrence, the theory can account for a range of phenomena in sequential causal learning, including various blocking effects, primacy effects in some experimental conditions, and apparently abstract transfer of causal knowledge. Copyright © 2015

Atom-by-atom assembly

International Nuclear Information System (INIS)

Hla, Saw Wai

2014-01-01

Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

INDIUM AND ZINC MEDIATED ONE-ATOM CARBOCYCLE ENLARGEMENT IN WATER. (R822668)

Science.gov (United States)

AbstractSix-, seven-, eight-membered rings are enlarged by one carbon-atom into seven-, eight- and nine-membered ring derivatives respectively, via indium or zinc mediated reactions in aqueous medium.

Momentum constraint relaxation

International Nuclear Information System (INIS)

Marronetti, Pedro

2006-01-01

Full relativistic simulations in three dimensions invariably develop runaway modes that grow exponentially and are accompanied by violations of the Hamiltonian and momentum constraints. Recently, we introduced a numerical method (Hamiltonian relaxation) that greatly reduces the Hamiltonian constraint violation and helps improve the quality of the numerical model. We present here a method that controls the violation of the momentum constraint. The method is based on the addition of a longitudinal component to the traceless extrinsic curvature A ij -tilde, generated by a vector potential w i , as outlined by York. The components of w i are relaxed to solve approximately the momentum constraint equations, slowly pushing the evolution towards the space of solutions of the constraint equations. We test this method with simulations of binary neutron stars in circular orbits and show that it effectively controls the growth of the aforementioned violations. We also show that a full numerical enforcement of the constraints, as opposed to the gentle correction of the momentum relaxation scheme, results in the development of instabilities that stop the runs shortly

Grounding abstractness: Abstract concepts and the activation of the mouth

Directory of Open Access Journals (Sweden)

Anna M Borghi

2016-10-01

Full Text Available One key issue for theories of cognition is how abstract concepts, such as freedom, are represented. According to the WAT (Words As social Tools proposal, abstract concepts activate both sensorimotor and linguistic/social information, and their acquisition modality involves the linguistic experience more than the acquisition of concrete concepts. We report an experiment in which participants were presented with abstract and concrete definitions followed by concrete and abstract target-words. When the definition and the word matched, participants were required to press a key, either with the hand or with the mouth. Response times and accuracy were recorded. As predicted, we found that abstract definitions and abstract words yielded slower responses and more errors compared to concrete definitions and concrete words. More crucially, there was an interaction between the target-words and the effector used to respond (hand, mouth. While responses with the mouth were overall slower, the advantage of the hand over the mouth responses was more marked with concrete than with abstract concepts. The results are in keeping with grounded and embodied theories of cognition and support the WAT proposal, according to which abstract concepts evoke linguistic-social information, hence activate the mouth. The mechanisms underlying the mouth activation with abstract concepts (re-enactment of acquisition experience, or re-explanation of the word meaning, possibly through inner talk are discussed. To our knowledge this is the first behavioral study demonstrating with real words that the advantage of the hand over the mouth is more marked with concrete than with abstract concepts, likely because of the activation of linguistic information with abstract concepts.

Reevaluation of the role of nuclear uncertainties in experiments on atomic parity violation with isotopic chains

International Nuclear Information System (INIS)

Derevianko, Andrei; Porsev, Sergey G.

2002-01-01

In light of new data on neutron distributions from experiments with antiprotonic atoms [Trzcinska et al., Phys. Rev. Lett. 87, 082501 (2001)], we reexamine the role of nuclear-structure uncertainties in the interpretation of measurements of parity violation in atoms using chains of isotopes of the same element. With these new nuclear data, we find an improvement in the sensitivity of isotopic chain measurements to 'new physics' beyond the standard model. We compare possible constraints on 'new physics' with the most accurate to date single-isotope probe of parity violation in the Cs atom. We conclude that presently isotopic chain experiments employing atoms with nuclear charges Z < or approx. 50 may result in more accurate tests of the weak interaction

Real-time aircraft continuous descent trajectory optimization with ATC time constraints using direct collocation methods.

OpenAIRE

Verhoeven, Ronald; Dalmau Codina, Ramon; Prats Menéndez, Xavier; de Gelder, Nico

2014-01-01

1 Abstract In this paper an initial implementation of a real - time aircraft trajectory optimization algorithm is presented . The aircraft trajectory for descent and approach is computed for minimum use of thrust and speed brake in support of a “green” continuous descent and approach flight operation, while complying with ATC time constraints for maintaining runway throughput and co...

Workshop on foundations of the relativistic theory of atomic structure

International Nuclear Information System (INIS)

1981-03-01

The conference is an attempt to gather state-of-the-art information to understand the theory of relativistic atomic structure beyond the framework of the original Dirac theory. Abstracts of twenty articles from the conference were prepared separately for the data base

Abstracts of the 81. national meeting on physics of the Argentine Physics Association (AFA)

International Nuclear Information System (INIS)

1996-01-01

Abstracts are presented at the 81 Annual meeting of the Argentine Physics Association (AFA). The papers can be grouped under the following main topics: teaching, history and philosophy of physics; classical and quantum physics: particles and fields; statistical physics and thermodynamics; nuclear physics; atomic and molecular physics; optic; fluid dynamics and plasmas; condensed matter; instrumentation; geophysics and astrophysics. refs., ills

Multiloop atom interferometer measurements of chameleon dark energy in microgravity

Science.gov (United States)

Chiow, Sheng-wey; Yu, Nan

2018-02-01

Chameleon field is one of the promising candidates of dark energy scalar fields. As in all viable candidate field theories, a screening mechanism is implemented to be consistent with all existing tests of general relativity. The screening effect in the chameleon theory manifests its influence limited only to the thin outer layer of a bulk object, thus producing extra forces orders of magnitude weaker than that of the gravitational force of the bulk. For pointlike particles such as atoms, the depth of screening is larger than the size of the particle, such that the screening mechanism is ineffective and the chameleon force is fully expressed on the atomic test particles. Extra force measurements using atom interferometry are thus much more sensitive than bulk mass based measurements, and indeed have placed the most stringent constraints on the parameters characterizing chameleon field. In this paper, we present a conceptual measurement approach for chameleon force detection using atom interferometry in microgravity, in which multiloop atom interferometers exploit specially designed periodic modulation of chameleon fields. We show that major systematics of the dark energy force measurements, i.e., effects of gravitational forces and their gradients, can be suppressed below all hypothetical chameleon signals in the parameter space of interest.

Diffusivities and atomic mobilities in Cu-rich fcc Al-Cu-Mn alloys

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming; Du, Yong; Cui, Senlin; Xu, Honghui; Liu, Shuhong [Central South Univ., Changsha (China). State Key Laboratory of Powder Metallurgy; Zhang, Lijun [Bochum Univ. (DE). Interdisciplinary Centre for Advanced Materials Simulation (ICAMS)

2012-07-15

Via solid-solid diffusion couples, electron probe microanalysis and the Whittle and Green method, interdiffusivities in fcc Al-Cu-Mn alloys at 1 123 K were measured. The reliability of the obtained diffusivities is validated by comparing the computed diffusivities with literature data plus constraints among the diffusivities. Through assessments of experimentally determined diffusion coefficients by means of a diffusion-controlled transformations simulation package, the atomic mobilities of Al, Cu, and Mn in fcc Al-Cu-Mn alloys are obtained. Comprehensive comparisons between the model-predicted and the experimental data indicate that the presently obtained atomic mobilities can reproduce most of the diffusivities, concentration profiles, and diffusion paths reasonably. (orig.)

Vocalist - an international programme for the validation of constraint based methodology in structural integrity

International Nuclear Information System (INIS)

Lidbury, D.; Bass, R.; Gilles, Ph.; Connors, D.; Eisele, U.; Keim, E.; Keinanen, H.; Marie, St.; Nagel, G.; Taylor, N.; Wadier, Y.

2001-01-01

The pattern of crack-tip stresses and strains causing plastic flow and fracture in components is different to that in test specimens. This gives rise to the so-called constraint effect. Crack-tip constraint in components is generally lower than in test specimens. Effective toughness is correspondingly higher. The fracture toughness measured on test specimens is thus likely to underestimate that exhibited by cracks in components. A 36-month programme was initiated in October 2000 as part of the Fifth Framework of the European Atomic Energy Community (EURATOM), with the objective of achieving (i) an improved defect assessment methodology for predicting safety margins; (ii) improved lifetime management arguments. The programme VOCALIST (Validation of Constraint Based Methodology in Structural Integrity) is one of a 'cluster' of Fifth Framework projects in the area of Plant Life Management (Nuclear Fission). VOCALIST is also an associated project of NESC (Network for Evaluating Steel Components). The present paper describes the aims and objectives of VOCALIST, its interactions with NESC, and gives details of its various Work Packages. (authors)

Vocalist - an international programme for the validation of constraint based methodology in structural integrity

Energy Technology Data Exchange (ETDEWEB)

Lidbury, D. [AEA Technology, Consulting (United Kingdom); Bass, R. [Oak Ridge National Lab., TN (United States); Gilles, Ph. [FRAMATOME, 92 - Paris-La-Defence (France); Connors, D. [BNFL Magnox Generation (United Kingdom); Eisele, U. [Multiphoton Absorption, MPA, Stuttgart (Germany); Keim, E. [Framatome ANP GmbH (Germany); Keinanen, H. [VTT Energy, Espoo (Finland); Marie, St. [CEA Saclay, Dept. de Mecanique et de Technologie, 91 - Gif sur Yvette (France); Nagel, G. [E.ON Kernraft (Germany); Taylor, N. [Joint Research Center, JRC-IAM (Netherlands); Wadier, Y. [Electricite de France (EDF), 93 - Saint-Denis (France). Dept. de Radioprotection

2001-07-01

The pattern of crack-tip stresses and strains causing plastic flow and fracture in components is different to that in test specimens. This gives rise to the so-called constraint effect. Crack-tip constraint in components is generally lower than in test specimens. Effective toughness is correspondingly higher. The fracture toughness measured on test specimens is thus likely to underestimate that exhibited by cracks in components. A 36-month programme was initiated in October 2000 as part of the Fifth Framework of the European Atomic Energy Community (EURATOM), with the objective of achieving (i) an improved defect assessment methodology for predicting safety margins; (ii) improved lifetime management arguments. The programme VOCALIST (Validation of Constraint Based Methodology in Structural Integrity) is one of a 'cluster' of Fifth Framework projects in the area of Plant Life Management (Nuclear Fission). VOCALIST is also an associated project of NESC (Network for Evaluating Steel Components). The present paper describes the aims and objectives of VOCALIST, its interactions with NESC, and gives details of its various Work Packages. (authors)

On the shake-off probability for atomic systems

Energy Technology Data Exchange (ETDEWEB)

Santos, A.C.F., E-mail: toniufrj@gmail.com [Instituto de Física, Universidade Federal do Rio de Janeiro, P.O. Box 68528, 21941-972 Rio de Janeiro, RJ (Brazil); Almeida, D.P. [Departamento de Física, Universidade Federal de Santa Catarina, 88040-900 Florianópolis (Brazil)

2016-07-15

Highlights: • The scope is to find the relationship among SO probabilities, Z and electron density. • A scaling law is suggested, allowing us to find the SO probabilities for atoms. • SO probabilities have been scaled as a function of target Z and polarizability. - Abstract: The main scope in this work has been upon the relationship between shake-off probabilities, target atomic number and electron density. By comparing the saturation values of measured double-to-single photoionization ratios from the literature, a simple scaling law has been found, which allows us to predict the shake-off probabilities for several elements up to Z = 54 within a factor 2. The electron shake-off probabilities accompanying valence shell photoionization have been scaled as a function of the target atomic number, Z, and polarizability, α. This behavior is in qualitative agreement with the experimental results.

India's atomic energy programme - Past and future

International Nuclear Information System (INIS)

Sethna, H.N.

1979-01-01

A review is given of the development of the atomic energy program in India, beginning with the work of individual scientists in the period before Indian independence in 1948 and continuing through the establishment in 1954 of the Department of Atomic Energy on up to the present. It was recognized at an early stage of development that the most important task for the introduction of nuclear technology in India was to establish a cadre of scientists and engineers and to generate interactions among various scientific disciplines and, at an appropriate stage, to translate the interaction into concrete projects. Effort is made to rely on indigenous resources with the goal of making the country as self-sufficient as possible in the nuclear field. The technology developed in the nuclear program is shown to be transferable to numerous fields. The availability of adequate investment capital, as a consequence of competition from the other developing programs, is recognized as a possible constraint on the nuclear program

Rate constants for the slow Mu + propane abstraction reaction at 300 K by diamagnetic RF resonance.

Science.gov (United States)

Fleming, Donald G; Cottrell, Stephen P; McKenzie, Iain; Ghandi, Khashayar

2015-08-14

The study of kinetic isotope effects for H-atom abstraction rates by incident H-atoms from the homologous series of lower mass alkanes (CH4, C2H6 and, here, C3H8) provides important tests of reaction rate theory on polyatomic systems. With a mass of only 0.114 amu, the most sensitive test is provided by the rates of the Mu atom. Abstraction of H by Mu can be highly endoergic, due to the large zero-point energy shift in the MuH bond formed, which also gives rise to high activation energies from similar zero-point energy corrections at the transition state. Rates are then far too slow near 300 K to be measured by conventional TF-μSR techniques that follow the disappearance of the spin-polarised Mu atom with time. Reported here is the first measurement of a slow Mu reaction rate in the gas phase by the technique of diamagnetic radio frequency (RF) resonance, where the amplitude of the MuH product formed in the Mu + C3H8 reaction is followed with time. The measured rate constant, kMu = (6.8 ± 0.5) × 10(-16) cm(3) s(-1) at 300 K, is surprisingly only about a factor of three slower than that expected for H + C3H8, indicating a dominant contribution from quantum tunneling in the Mu reaction, consistent with elementary transition state theory calculations of the kMu/kH kinetic isotope effect.

Atomic and Molecular Data and Their Applications. Proceedings

International Nuclear Information System (INIS)

Mohr, P.J.; Wiese, W.L.

1998-01-01

These proceedings contain papers based on invited talks at the First International Conference on Atomic and Molecular Data and Their Applications held at the National Institute of Standards and Technology (INIST) in Gaithersburg, Maryland in October, 1997. The invited presentations addressed four major areas of importance to atomic and molecular data activities: Global trends affecting scientific data, collisions and spectral radiation data, date assessment and database and data management activities and lastly, data needs of the main user communities such as the magnetic and inertial fusion research communities, semiconductor-related plasma processing, the atmospheric research community and the space astronomy community, etc. These proceedings are expected to be of interest to both producers and users of data and provide up-to-date surveys on atomic and molecular data. A wide range of data has been presented including X-ray transition energies, atomic transition probabilities, atomic collisions data, data for cosmology and X-ray astronomy, data for fusion plasma diagnostics, etc. There were 27 invited talks and consequently 27 articles in these Proceedings. Out of these, 9 have been abstracted for the Energy Science and Technology database

First-principles study of the alkali earth metal atoms adsorption on graphene

International Nuclear Information System (INIS)

Sun, Minglei; Tang, Wencheng; Ren, Qingqiang; Wang, Sake; JinYu; Du, Yanhui; Zhang, Yajun

2015-01-01

Graphical abstract: - Highlights: • The adsorption of Be and Mg adatoms on graphene is physisorption. • Ca, Sr, and Ba adatoms bond ionically to graphene and the most stable adsorption site for them is hollow site. • The zero band gap semiconductor graphene becomes metallic and magnetic after the adsorption of Ca, Sr, and Ba adatoms. - Abstract: Geometries, electronic structures, and magnetic properties for alkali earth metal atoms absorbed graphene have been studied by first-principle calculations. For Be and Mg atoms, the interactions between the adatom and graphene are weak van der Waals interactions. In comparison, Ca, Sr and Ba atoms adsorption on graphene exhibits strong ionic bonding with graphene. We found that these atoms bond to graphene at the hollow site with a significant binding energy and large electron transfer. It is intriguing that these adatoms may induce important changes in both the electronic and magnetic properties of graphene. Semimetal graphene becomes metallic and magnetic due to n-type doping. Detailed analysis shows that the s orbitals of these adatoms should be responsible for the arising of the magnetic moment. We believe that our results are suitable for experimental exploration and useful for graphene-based nanoelectronic and data storage.

First-principles study of the alkali earth metal atoms adsorption on graphene

Energy Technology Data Exchange (ETDEWEB)

Sun, Minglei [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Tang, Wencheng, E-mail: 101000185@seu.edu.cn [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Ren, Qingqiang [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, Hunan (China); Wang, Sake [Department of Physics, Southeast University, Nanjing 210096, Jiangsu (China); JinYu [School of Materials Science and Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189, Jiangsu (China); Du, Yanhui [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Zhang, Yajun [Department of Engineering Mechanics, School of Aeronautics and Astronautics, Zhejiang University, Hangzhou 310027, Zhejiang (China)

2015-11-30

Graphical abstract: - Highlights: • The adsorption of Be and Mg adatoms on graphene is physisorption. • Ca, Sr, and Ba adatoms bond ionically to graphene and the most stable adsorption site for them is hollow site. • The zero band gap semiconductor graphene becomes metallic and magnetic after the adsorption of Ca, Sr, and Ba adatoms. - Abstract: Geometries, electronic structures, and magnetic properties for alkali earth metal atoms absorbed graphene have been studied by first-principle calculations. For Be and Mg atoms, the interactions between the adatom and graphene are weak van der Waals interactions. In comparison, Ca, Sr and Ba atoms adsorption on graphene exhibits strong ionic bonding with graphene. We found that these atoms bond to graphene at the hollow site with a significant binding energy and large electron transfer. It is intriguing that these adatoms may induce important changes in both the electronic and magnetic properties of graphene. Semimetal graphene becomes metallic and magnetic due to n-type doping. Detailed analysis shows that the s orbitals of these adatoms should be responsible for the arising of the magnetic moment. We believe that our results are suitable for experimental exploration and useful for graphene-based nanoelectronic and data storage.

Power generation capacity planning under budget constraint in developing countries

International Nuclear Information System (INIS)

Afful-Dadzie, Anthony; Afful-Dadzie, Eric; Awudu, Iddrisu; Banuro, Joseph Kwaku

2017-01-01

Highlights: • A long term stochastic GEP model with budget constraint is developed. • Model suitable for analyzing GEP problems in developing countries. • Model determines optimal mix, size and timing of future generation capacity needs. • A real case study of the Ghana GEP problem was employed. • Insufficient budget leads to costly generation capacity expansion plans. - Abstract: This paper presents a novel multi-period stochastic optimization model for studying long-term power generation capacity planning in developing countries. A stylized model is developed to achieve three objectives: (1) to serve as a tool for determining optimal mix, size and timing of power generation types in the face of budget constraint, (2) to help decision makers appreciate the consequences of capacity expansion decisions on level of unserved electricity demand and its attendant impact on the national economy, and (3) to encourage the habit of periodic savings towards new generation capacity financing. The problem is modeled using a stochastic mixed-integer linear programming (MILP) technique under demand uncertainty. The effectiveness of the model, together with valuable insights derived from considering different levels of budget constraints are demonstrated using Ghana as a case study. The results indicate that at an annual savings equivalent to 0.75% of GDP, Ghana could finance the needed generation capacity to meet approximately 95% of its annual electricity demand between 2016 and 2035. Additionally, it is observed that as financial constraint becomes tighter, decisions on the mix of new generation capacities tend to be more costly compared to when sufficient funds are available.

DyNano-2010, Book of abstracts

International Nuclear Information System (INIS)

Bjoemeholm, O.; Boutu, W.; Gauthier, D.; Xunyou, Ge; Xiaochi, Liu; Carre, B.; Merdji, H.; Winkler, M.; Harnes, J.; Saethre, L.J.; Boerve, K.J.

2012-01-01

The amazing progresses made in the recent years by the instrumentation in terms of spectral brightness of the X-ray sources (new synchrotron radiation facilities, X-ray Free Electron Lasers etc.), detection schemes (multi-channel analysis due to intensive use of position sensitive detectors, time-resolved techniques etc.) and production sources of clusters (pure and mixed, atomic and molecular clusters) and nano-particles permit nowadays highly accurate spectroscopic studies of more and more complex objects. There were dedicated sessions on the following topics: 1) recent progress in Nano-object's investigations, 2) synchrotron radiation based spectroscopic investigations of clusters and nano-particles, 3) Structure and properties of size-selected clusters, 4) electronic and nuclear decay of clusters, 5) new insights in structure and dynamics of complex species, and 6) clusters and nano-particles and new light sources. This document gathers only the abstracts of the papers

Reaction rate constants of H-abstraction by OH from large ketones: measurements and site-specific rate rules.

Science.gov (United States)

Badra, Jihad; Elwardany, Ahmed E; Farooq, Aamir

2014-06-28

Reaction rate constants of the reaction of four large ketones with hydroxyl (OH) are investigated behind reflected shock waves using OH laser absorption. The studied ketones are isomers of hexanone and include 2-hexanone, 3-hexanone, 3-methyl-2-pentanone, and 4-methl-2-pentanone. Rate constants are measured under pseudo-first-order kinetics at temperatures ranging from 866 K to 1375 K and pressures near 1.5 atm. The reported high-temperature rate constant measurements are the first direct measurements for these ketones under combustion-relevant conditions. The effects of the position of the carbonyl group (C=O) and methyl (CH3) branching on the overall rate constant with OH are examined. Using previously published data, rate constant expressions covering, low-to-high temperatures, are developed for acetone, 2-butanone, 3-pentanone, and the hexanone isomers studied here. These Arrhenius expressions are used to devise rate rules for H-abstraction from various sites. Specifically, the current scheme is applied with good success to H-abstraction by OH from a series of n-ketones. Finally, general expressions for primary and secondary site-specific H-abstraction by OH from ketones are proposed as follows (the subscript numbers indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon atom, the subscript CO indicates that the abstraction is from a site next to the carbonyl group (C=O), and the prime is used to differentiate different neighboring environments of a methylene group):

Abstracts of annual physics conference of Iran 1373, Kordestan University, Sanandaj, 19 Aug - 1 Sep 1994

International Nuclear Information System (INIS)

Mirzabeygui, Jahanshah

1994-08-01

Collection of separate abstracts written in the proceedings of Annual Physics Conference of Iran,1373 covered following topics: Mathematical methods in physics, relativity and gravitation; The physics of elementary particles; Nuclear physics and nuclear engineering; Atomic and molecular physics, optics and magnetism; Fluids, plasma, and electric discharges; Condensed matter; Astronomy and astrophysics

Ab initio calculation of transition state normal mode properties and rate constants for the H(T)+CH4(CD4) abstraction and exchange reactions

International Nuclear Information System (INIS)

Schatz, G.C.; Walch, S.P.; Wagner, A.F.

1980-01-01

We present ab initio (GVB--POL--CI) calculations for enough of the region about the abstraction and exchange saddle points for H(T)+CH 4 (CD 4 ) to perform a full normal mode analysis of the transition states. The resulting normal mode frequencies are compared to four other published surfaces: an ab initio UHF--SCF calculation by Carsky and Zahradnik, a semiempirical surface by Raff, and two semiempirical surfaces by Kurylo, Hollinden, and Timmons. Significant quantitative and qualitative differences exist between the POL--CI results and those of the other surfaces. Transition state theory rate constants and vibrationally adiabatic reaction threshold energies were computed for all surfaces and compared to available experimental values. For abstraction, the POL--CI rates are in good agreement with experimental rates and in better agreement than are the rates of any of the other surfaces. For exchange, uncertainties in the experimental values and in the importance of vibrationally nonadiabatic effects cloud the comparison of theory to experiment. Tentative conclusions are that the POL--CI barrier is too low by several kcal. Unless vibrationaly nonadiabatic effects are severe, the POL--CI surface is still in better agreement with experiment than are the other surfaces. The rates for a simple 3-atom transition state theory model (where CH 3 is treated as an atom) are compared to the rates for the full 6-atom model. The kinetic energy coupling of reaction coordinate modes to methyl group modes is identified as being of primary importance in determining the accuracy of the 3-atom model for this system. Substantial coupling in abstraction, but not exchange, causes the model to fail for abstraction but succeed for exchange

The causality problem in atomic physics

International Nuclear Information System (INIS)

Bor, N.

1985-01-01

The casuality problem in atomic physics is analysed by Bohr in a wide methodological context. The first part of the paper is a short historical essay picturing the entry of statistical concepts into physics. Bohr underlines a close relationship between an unavoidably probabilitic nature of the quantum theory and quantum postulates introducing the alien-to-classical-physics concepts of integrity, individuality of atomic processes. In the second central part of the paper Bohr discusses the casuality problems in atomic physics in detail and shows that their solution requires a careful analysis of the observation process. Proceeding from the program methodological requirement to describe the measuring instrumentation operation and observation results in the language of classical physics, he explains that the statistical character of the uncertainty relationships expresses a substantial specifically quantum constraint to the applicifically of classical conceptions analyses of microphenomena. Then Bohr refines in principle the notion ''phenomenon'', as one of the central notions among those he employed for the formulation of his complementarity principle. According to bohr a phenomenon should be under-stood as an unambiguously present situation of a completed experiment. Therefore, it is erroneous to speak of the phenomenon perturbation by the observation. The final part of the article deals with the discussion of methodological parallels of the quantum theory and relativity theory

Atomic structure of self-organizing iridium induced nanowires on Ge(001)

Energy Technology Data Exchange (ETDEWEB)

Kabanov, N.S., E-mail: n.kabanov@utwente.nl [Faculty of Physics, Moscow State University, 119991 (Russian Federation); Physics of Interfaces and Nanomaterials, MESA+ Institute for Nanotechnology, University of Twente, P. O. Box 217, Enschede 7500 AE (Netherlands); Heimbuch, R.; Zandvliet, H.J.W. [Physics of Interfaces and Nanomaterials, MESA+ Institute for Nanotechnology, University of Twente, P. O. Box 217, Enschede 7500 AE (Netherlands); Saletsky, A.M.; Klavsyuk, A.L. [Faculty of Physics, Moscow State University, 119991 (Russian Federation)

2017-05-15

Highlights: • Ir/Ge(001) structure has been studied with DFT calculations and scanning tunneling microscopy. • Ir/Ge(001) nanowires are composed of Ge atoms and Ir atoms are located in subsurface positions. • The regions in the vicinity of the nanowires are very dynamic, even at temperatures as low as 77 K. - Abstract: The atomic structure of self-organizing iridium (Ir) induced nanowires on Ge(001) is studied by density functional theory (DFT) calculations and variable-temperature scanning tunneling microscopy. The Ir induced nanowires are aligned in a direction perpendicular to the Ge(001) substrate dimer rows, have a width of two atoms and are completely kink-less. Density functional theory calculations show that the Ir atoms prefer to dive into the Ge(001) substrate and push up the neighboring Ge substrate atoms. The nanowires are composed of Ge atoms and not Ir atoms as previously assumed. The regions in the vicinity of the nanowires are very dynamic, even at temperatures as low as 77 K. Time-resolved scanning tunneling microscopy measurements reveal that this dynamics is caused by buckled Ge substrate dimers that flip back and forth between their two buckled configurations.

Evaluating the capacity value of wind power considering transmission and operational constraints

International Nuclear Information System (INIS)

Gil, Esteban; Aravena, Ignacio

2014-01-01

Highlights: • Discussion of power system adequacy and the capacity value of wind power. • Method for estimating capacity value of wind power is proposed. • Monte Carlo simulation used to consider transmission and operational constraints. • Application of the method to the Chilean Northern Interconnected System (SING). - Abstract: This paper presents a method for estimating the capacity value of wind considering transmission and operational constraints. The method starts by calculating a metric for system adequacy by repeatedly simulating market operations in a Monte Carlo scheme that accounts for forced generator outages, wind resource variability, and operational conditions. Then, a capacity value calculation that uses the simulation results is proposed, and its application to the Chilean Northern Interconnected System (SING) is discussed. A comparison of the capacity value for two different types of wind farms is performed using the proposed method, and the results are compared with the method currently used in Chile and the method recommended by the IEEE. The method proposed in the paper captures the contribution of the variable generation resources to power system adequacy more accurately than the method currently employed in the SING, and showed capable of taking into account transmission and operational constraints

Developmental constraint of insect audition

Directory of Open Access Journals (Sweden)

Strauß Johannes

2006-12-01

Full Text Available Abstract Background Insect ears contain very different numbers of sensory cells, from only one sensory cell in some moths to thousands of sensory cells, e.g. in cicadas. These differences still await functional explanation and especially the large numbers in cicadas remain puzzling. Insects of the different orders have distinct developmental sequences for the generation of auditory organs. These sensory cells might have different functions depending on the developmental stages. Here we propose that constraints arising during development are also important for the design of insect ears and might influence cell numbers of the adults. Presentation of the hypothesis We propose that the functional requirements of the subadult stages determine the adult complement of sensory units in the auditory system of cicadas. The hypothetical larval sensory organ should function as a vibration receiver, representing a functional caenogenesis. Testing the hypothesis Experiments at different levels have to be designed to test the hypothesis. Firstly, the neuroanatomy of the larval sense organ should be analyzed to detail. Secondly, the function should be unraveled neurophysiologically and behaviorally. Thirdly, the persistence of the sensory cells and the rebuilding of the sensory organ to the adult should be investigated. Implications of the hypothesis Usually, the evolution of insect ears is viewed with respect to physiological and neuronal mechanisms of sound perception. This view should be extended to the development of sense organs. Functional requirements during postembryonic development may act as constraints for the evolution of adult organs, as exemplified with the auditory system of cicadas.

Constraints on exotic dipole-dipole couplings between electrons at the micron scale

Science.gov (United States)

Kotler, Shlomi; Ozeri, Roee; Jackson Kimball, Derek

2015-05-01

Until recently, the magnetic dipole-dipole coupling between electrons had not been directly observed experimentally. This is because at the atomic scale dipole-dipole coupling is dominated by the exchange interaction and at larger distances the dipole-dipole coupling is overwhelmed by ambient magnetic field noise. In spite of these challenges, the magnetic dipole-dipole interaction between two electron spins separated by 2.4 microns was recently measured using the valence electrons of trapped Strontium ions [S. Kotler, N. Akerman, N. Navon, Y. Glickman, and R. Ozeri, Nature 510, 376 (2014)]. We have used this measurement to directly constrain exotic dipole-dipole interactions between electrons at the micron scale. For light bosons (mass 0.1 eV), we find that coupling constants describing pseudoscalar and axial-vector mediated interactions must be | gPegPe/4 πℏc | <= 1 . 5 × 10-3 and | gAegAe/4 πℏc | <= 1 . 2 × 10-17 , respectively, at the 90% confidence level. These bounds significantly improve on previous constraints in this mass range: for example, the constraints on axial-vector interactions are six orders of magnitude stronger than electron-positron constraints based on positronium spectroscopy. Supported by the National Science Foundation, I-Core: the Israeli excellence center, and the European Research Council.

PRINSIP 6C (CHARACTER, CAPACITY, CAPITAL, CONDITION OF ECONOMY, COLLATERAL DAN CONSTRAINT DALAM WIRAUSAHA MAHASISWA

Directory of Open Access Journals (Sweden)

Henny Sri Astuty

2015-04-01

Full Text Available Abstrak: Prinsip 6C (Character, Capacity, Capital, Condition of Economy, Collateral dan Constraint dalam Wirausaha Mahasiswa. Kegiatan wirausaha yang sekarang banyak dilakukan oleh mahasiswa memiliki sisi positif maupun negatif, dari yang berhasil kuliah dan wirausahanya hingga yang gagal semuanya. Untuk ini diperlukan pemahaman tentang prinsip enam C (character, capacity, capital, condition of economy, collateral and constraint yang akan membantu mahasiswa sebagai bekal dalam melakukan kegiatan usahanya. Banyak faktor yang diperoleh dalam prinsip ini yaitu aspek manajemen, pemasaran, produksi, dan keuangan. Kata Kunci: prinsip 6c, wirausaha, mahasiswa Abstract: 6C Principles (Character, Capacity, Capital, Condition of Economy, Collateral and Constraint in Entrepreneurial Students. Entrepreneurial activity that is widely performed by students has two different stories. Some of them are successful on the other hand, the rest of them are fail. Accordingly, it is required an understanding of the 6C principles of the six C (character, capacity, capital, condition of economy, collateral and constraints which will help the students as a preparation in conducting their business activities. Many factors obtained in this principle namely: management, marketing, production, and financial aspects. Keywords: 6C principles, entrepreneurs, students

German atomic energy law in the international framework

International Nuclear Information System (INIS)

Pelzer, N.

1992-01-01

The regional conference was devoted to the legal problems that ensue from German reunification against the background of the integration of German atomic energy law within international law. The elements of national atomic energy legislation required by international law and recent developments in international nuclear liability law were discussed from different perspectives. The particular problems of the application of the German Atomic Energy Act in the 5 new Laender (the territories of the former GDR) were presented and discussed, namely: The continued validity of old licences issued by the GDR; practical legal problems connected with the construction of nuclear power plants in the 5 new Laender; the legal issues connected with the final repository for radioactive wastes at Morsleben; and the new developments in radiation protection law following from the Unification Treaty and the new ICRP recommendations. All 14 lectures have been abstracted and indexed individually. (orig.) [de

From the atomic nucleus to mesoscopic systems to microwave cavities

Indian Academy of Sciences (India)

Abstract. Universal statistical aspects of wave scattering by a variety of physical systems ranging from atomic nuclei to mesoscopic systems and microwave cavities are described. A statistical model for the scattering matrix is employed to address the problem of quantum chaotic scattering. The model, introduced in the past ...

A computational geometry framework for the optimisation of atom probe reconstructions

Energy Technology Data Exchange (ETDEWEB)

Felfer, Peter [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Institute for General Materials Properties, Department of Materials Science, Friedrich-Alexander University Erlangen-Nürnberg, 91058 Erlangen (Germany); Cairney, Julie [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia)

2016-10-15

In this paper, we present pathways for improving the reconstruction of atom probe data on a coarse (>10 nm) scale, based on computational geometry. We introduce a way to iteratively improve an atom probe reconstruction by adjusting it, so that certain known shape criteria are fulfilled. This is achieved by creating an implicit approximation of the reconstruction through a barycentric coordinate transform. We demonstrate the application of these techniques to the compensation of trajectory aberrations and the iterative improvement of the reconstruction of a dataset containing a grain boundary. We also present a method for obtaining a hull of the dataset in both detector and reconstruction space. This maximises data utilisation, and can be used to compensate for ion trajectory aberrations caused by residual fields in the ion flight path through a ‘master curve’ and correct for overall shape deviations in the data. - Highlights: • An atom probe reconstruction can be iteratively improved by using shape constraints. • An atom probe reconstruction can be inverted using barycentric coordinate transforms. • Hulls for atom probe datasets can be obtained from 2D detector outlines that are co-reconstructed with the data. • Ion trajectory compressions caused by instrument-specific residual fields in the drift tube can be corrected.

Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface

International Nuclear Information System (INIS)

Xu, Zhenhai; Zeng, Quanren; Yuan, Lin; Qin, Yi; Chen, Mingjun; Shan, Debin

2016-01-01

Graphical abstract: - Highlights: • Interactions of incident N or Ti atoms with TiN(001) surface are studied by CMD. • The impact position of incident N on the surface determines the interaction modes. • Adsorption could occur due to the atomic exchange process. • Resputtering and reflection may simultaneously occur. • The initial sticking coefficient of N on TiN(001) is much smaller than that of Ti. - Abstract: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic exchange process while the resputtering and reflection may simultaneously occur. The impact position of incident N atoms on the surface plays an important role in determining the interaction modes. Their occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant interaction mode between particles and the surface. This results in the much smaller initial sticking coefficient of N atoms on the TiN(001) surface compared with that of Ti atoms. Stoichiometric TiN is promoted by N/Ti flux ratios larger than one.

Effective atomic number, electron density and kerma of gamma ...

Indian Academy of Sciences (India)

Abstract. An attempt has been made to estimate the effective atomic number, electron density (0.001 to 105 MeV) and kerma (0.001 to 20 MeV) of gamma radiation for a wide range of oxides of ... The lanthanide oxides find remarkable applications in the field of medicine, biology, nuclear engineering and space technology.

Proceedings of the NASA workshop on atomic oxygen effects

International Nuclear Information System (INIS)

Brinza, D.E.

1987-06-01

A workshop was held to address the scientific issues concerning the effects of atomic oxygen on materials in the low Earth orbital (LEO) environment. The program included 18 invited speakers plus contributed posters covering topics such as LEO spaceflight experiments, interaction mechanisms, and atomic oxygen source development. Discussion sessions were also held to organize a test program to evaluate atomic oxygen exposure facilities. The key issues raised in the workshop were: (1) the need to develop a reliable predictive model of the effects of long-term exposure of materials to the LEO environment; (2) the ability of ground-based exposure facilities to provide useful data for development of durable materials; and (3) accurate determination of the composition of the LEO environment. These proceedings include the invited papers, the abstracts for the contributed posters, and an account of the test program discussion sessions

Atom-surface potentials and atom interferometry

International Nuclear Information System (INIS)

Babb, J.F.

1998-01-01

Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

Misconceptions and constraints

International Nuclear Information System (INIS)

Whitten, M.; Mahon, R.

2005-01-01

In theory, the sterile insect technique (SIT) is applicable to a wide variety of invertebrate pests. However, in practice, the approach has been successfully applied to only a few major pests. Chapters in this volume address possible reasons for this discrepancy, e.g. Klassen, Lance and McInnis, and Robinson and Hendrichs. The shortfall between theory and practice is partly due to the persistence of some common misconceptions, but it is mainly due to one constraint, or a combination of constraints, that are biological, financial, social or political in nature. This chapter's goal is to dispel some major misconceptions, and view the constraints as challenges to overcome, seeing them as opportunities to exploit. Some of the common misconceptions include: (1) released insects retain residual radiation, (2) females must be monogamous, (3) released males must be fully sterile, (4) eradication is the only goal, (5) the SIT is too sophisticated for developing countries, and (6) the SIT is not a component of an area-wide integrated pest management (AW-IPM) strategy. The more obvious constraints are the perceived high costs of the SIT, and the low competitiveness of released sterile males. The perceived high up-front costs of the SIT, their visibility, and the lack of private investment (compared with alternative suppression measures) emerge as serious constraints. Failure to appreciate the true nature of genetic approaches, such as the SIT, may pose a significant constraint to the wider adoption of the SIT and other genetically-based tactics, e.g. transgenic genetically modified organisms (GMOs). Lack of support for the necessary underpinning strategic research also appears to be an important constraint. Hence the case for extensive strategic research in ecology, population dynamics, genetics, and insect behaviour and nutrition is a compelling one. Raising the competitiveness of released sterile males remains the major research objective of the SIT. (author)

Bremsstrahlung in atom-atom collisions

International Nuclear Information System (INIS)

Amus'ya, M.Y.; Kuchiev, M.Y.; Solov'ev, A.V.

1985-01-01

It is shown that in the collision of a fast atom with a target atom when the frequencies are on the order of the potentials or higher, there arises bremsstrahlung comparable in intensity with the bremsstrahlung emitted by an electron with the same velocity in the field of the target atom. The mechanism by which bremsstrahlung is produced in atom-atom collisions is elucidated. Results of specific calculations of the bremsstrahlung spectra are given for α particles and helium atoms colliding with xenon

Thermal 18F atom addition to olefins

International Nuclear Information System (INIS)

Rogers, P.J.M.

1986-01-01

The addition of thermal 18 F atoms to olefins was investigated using various substrate molecules. The 18 F atoms were produced by the 19 F(n,2n) 18 F nuclear reaction with >10 5 eV of energy which is removed by multiple collisions with SF 6 molecules before reaction occurs with an olefin. By varying the SF 6 /substrate mole ratio it was demonstrated that the fraction of non-thermal reactions is dependent upon the frequency of non-reactive energy reducing collisions with SF 6 . The rate constants for addition and abstraction reactions with propene, cis-1-chloropropene and trans-1-chloropropene were determined. The substitution of a C1 atom for the olefinic H atom in the C 1 position does not affect the rate of 18 F bond formation but it changes the orientation of attack. The 18 F atom prefers the terminal carbon-in propene and propene-d 6 by a factor of 1.35 while the preference is less than 0.5 for the terminal carbon in cis-1-chloropropene and trans-1-chloropropene. The addition of 18 F atoms to olefins creates vibrationally excited fluoroalkyl radicals which can either decompose or stabilize by collision with another molecule. The rate constants for decomposition of excited CH 3 CHCHC1F radicals formed by 18 F addition to cis-1-chloropropene and trans-1-chloropropene are competitive with C 1 -C 2 bond rotation. The 18 F atoms add to the parent molecule with retention of geometry and a memory of the geometry persists as demonstrated by the cis-1-fluoropropene/trans-1-fluoropropene decomposition product ratio

Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics.

Science.gov (United States)

Berns, Veronica M; Engelkemier, Joshua; Guo, Yiming; Kilduff, Brandon J; Fredrickson, Daniel C

2014-08-12

constraints. In approaching this challenge, we have developed a scheme for allocating the grid pressures to contacts inspired by the Hirshfeld charge analysis. Here, each voxel is allocated to the contact between the two atoms whose free atom electron densities show the largest values at that position. In this way, the differing sizes of atoms are naturally included in the division of space without resorting to empirical radii. The use of the improved DFT-CP method is illustrated through analyses of the applicability of radius ratio arguments to Laves phase structures and the structural preferences of AB5 intermetallics between the CaCu5 and AuBe5 structure types.

Constraints and Creativity in NPD - Testing the Impact of 'Late Constraints'

DEFF Research Database (Denmark)

Onarheim, Balder; Valgeirsdóttir, Dagný

experiment was conducted, involving 12 teams of industrial designers from three different countries, each team working on two 30 minutes design tasks. In one condition all constraints were given at the start, and in the other one new radical constraint was added after 12 minutes. The output from all 24 tasks......The aim of the presented work is to investigate how the timing of project constraints can influence the creativity of the output in New Product Development (NPD) projects. When seeking to produce a creative output, is it beneficial to know all constraints when initiating a project...... was assessed for creativity using the Consensual Assessment Technique (CAT), and a comparative within-subjects analysis found no significant different between the two conditions. Controlling for task and assessor a small but non-significant effect was found, in favor of the ‘late constraint’ condition. Thus...

PubChem atom environments.

Science.gov (United States)

Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H

2015-01-01

Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many

Radiation Protection Institute,Ghana Atomic Energy Commission: Annual Report 2014

International Nuclear Information System (INIS)

2014-01-01

The Radiation Protection Institute of the Ghana Atomic Energy Commission was established to provide scientific and technical support for executing the operational functions of the Radiation Protection Board. The 2014 Annual Report highlights the operational activities of Institutes. Also presented is a list of research projects, publications and abstracts of technical reports.

Nonlinear Equilibrium and Stability Analysis of Axially Loaded Piles Under Bilateral Contact Constraints

Directory of Open Access Journals (Sweden)

Ricardo A. da Mota Silveira

Full Text Available AbstractThis paper presents a nonlinear stability analysis of piles under bilateral contact constraints imposed by a geological medium (soil or rock. To solve this contact problem, the paper proposes a general numerical methodology, based on the finite element method (FEM. In this context, a geometrically nonlinear beam-column element is used to model the pile while the geological medium can be idealized as discrete (spring or continuum (Winkler and Pasternak foundation elements. Foundation elements are supposed to react under tension and compression, so during the deformation process the structural elements are subjected to bilateral contact constraints. The errors along the equilibrium paths are minimized and the convoluted nonlinear equilibrium paths are made traceable through the use of an updated Lagrangian formulation and a Newton-Raphson scheme working with the generalized displacement technique. The study offers stability analyses of three problems involving piles under bilateral contact constraints. The analyses show that in the evaluation of critical loads a great influence is wielded by the instability modes. Also, the structural system stiffness can be highly influenced by the representative model of the soil.

Optimal geometric structure for nanofluid-cooled microchannel heat sink under various constraint conditions

International Nuclear Information System (INIS)

Wang Xiaodong; Bin An; Xu Jinliang

2013-01-01

Highlights: ► An inverse geometry optimization method is used to optimize heat sink structure. ► Nanofluid is used as coolant of heat sink. ► Three parameters are simultaneously optimized at various constraint conditions. ► The optimal designs of nanofluid-cooled heat sink are obtained. - Abstract: A numerical model is developed to analyze the flow and heat transfer in nanofluid-cooled microchannel heat sink (MCHS). In the MCHS model, temperature-dependent thermophysical properties are taken into account due to large temperature differences in the MCHS and strong temperature-dependent characteristics of nanofluids, the model is validated by experimental data with good agreement. The simplified conjugate-gradient method is coupled with MCHS model as optimization tool. Three geometric parameters, including channel number, channel aspect ratio, and width ratio of channel to pitch, are simultaneously optimized at fixed inlet volume flow rate, fixed pumping power, and fixed pressure drop as constraint condition, respectively. The optimal designs of MCHS are obtained for various constraint conditions and the effects of inlet volume flow rate, pumping power, and pressure drop on the optimal geometric parameters are discussed.

Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo–NH ₃ Complex

Energy Technology Data Exchange (ETDEWEB)

Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.

2017-02-15

We report ammonia oxidation by homolytic cleavage of all three H atoms from a Mo-15NH3 complex using the 2,4,6-tri-tert-butylphenoxyl radical to afford a Mo-alkylimido (Mo=15NR) complex (R = 2,4,6-tri-t-butylcyclohexa-2,5-dien-1-one). Reductive cleavage of Mo=15NR generates a terminal Mo≡N nitride, and a [Mo-15NH]+ complex is formed by protonation. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from the Mo-15NH3 complex and the formation of Mo=15NR. Acknowledgment. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Re-search Center funded by the U.S. Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences. EPR and mass spectrometry experiments were performed using EMSL, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at PNNL. The authors thank Dr. Eric D. Walter and Dr. Rosalie Chu for assistance in performing EPR and mass spectroscopy analysis, respectively. Computational resources provided by the National Energy Re-search Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Pacific North-west National Laboratory is operated by Battelle for the U.S. DOE.

Comparison of thermal compatibility between atomized and comminuted U3Si dispersion fuels

International Nuclear Information System (INIS)

Ryu, Woo-Seog; Park, Jong-Man; Kim, Chang-Kyu; Kuk, II-Hyun

1997-01-01

Thermal compatibility of atomized U 3 Si dispersion fuels were evaluated up to 2600 hours in the temperature range from 250 to 500 degrees C, and compared with that of comminuted U 3 Si. Atomized U 3 Si showed better performance in terms of volume expansion of fuel meats. The reaction zone of U 3 Si and Al occurred along the grain boundaries and deformation bands in U 3 Si particles. Pores around fuel particles appeared at high temperature or after long-term annealing tests to remain diffusion paths over the trench of the pores. The constraint effects of cladding on fuel rod suppressed the fuel meat, and reduced the volume expansion

Comparison of the quantitative analysis performance between pulsed voltage atom probe and pulsed laser atom probe

Energy Technology Data Exchange (ETDEWEB)

Takahashi, J., E-mail: takahashi.3ct.jun@jp.nssmc.com [Advanced Technology Research Laboratories, Nippon Steel & Sumitomo Metal Corporation, 20-1 Shintomi, Futtsu-city, Chiba 293-8511 (Japan); Kawakami, K. [Advanced Technology Research Laboratories, Nippon Steel & Sumitomo Metal Corporation, 20-1 Shintomi, Futtsu-city, Chiba 293-8511 (Japan); Raabe, D. [Max-Planck Institut für Eisenforschung GmbH, Department for Microstructure Physics and Alloy Design, Max-Planck-Str. 1, 40237 Düsseldorf (Germany)

2017-04-15

Highlights: • Quantitative analysis in Fe-Cu alloy was investigated in voltage and laser atom probe. • In voltage-mode, apparent Cu concentration exceeded actual concentration at 20–40 K. • In laser-mode, the concentration never exceeded the actual concentration even at 20 K. • Detection loss was prevented due to the rise in tip surface temperature in laser-mode. • Preferential evaporation of solute Cu was reduced in laser-mode. - Abstract: The difference in quantitative analysis performance between the voltage-mode and laser-mode of a local electrode atom probe (LEAP3000X HR) was investigated using a Fe-Cu binary model alloy. Solute copper atoms in ferritic iron preferentially field evaporate because of their significantly lower evaporation field than the matrix iron, and thus, the apparent concentration of solute copper tends to be lower than the actual concentration. However, in voltage-mode, the apparent concentration was higher than the actual concentration at 40 K or less due to a detection loss of matrix iron, and the concentration decreased with increasing specimen temperature due to the preferential evaporation of solute copper. On the other hand, in laser-mode, the apparent concentration never exceeded the actual concentration, even at lower temperatures (20 K), and this mode showed better quantitative performance over a wide range of specimen temperatures. These results indicate that the pulsed laser atom probe prevents both detection loss and preferential evaporation under a wide range of measurement conditions.

Quantum chemistry and dynamics of the abstraction reaction of H atoms from formaldehyde

Energy Technology Data Exchange (ETDEWEB)

Siaï, A. [Faculté des Sciences de Tunis, Département de Physique, (LPMC), Université de Tunis El Manar, 2092 Tunis (Tunisia); Oueslati, I. [Faculté des Sciences de Tunis, Département de Physique, (LPMC), Université de Tunis El Manar, 2092 Tunis (Tunisia); Observatoire de Paris-Meudon, Sorbonne Universités, UPMC Univ Paris 06, UMR8112 du CNRS, LERMA, 5 Place Jules Janssen, 92195 Meudon cedex (France); Académie Militaire, Fondouk Jedid, 8012 Nabeul (Tunisia); Kerkeni, Boutheïna, E-mail: Boutheina.kerkeni@obspm.fr [Faculté des Sciences de Tunis, Département de Physique, (LPMC), Université de Tunis El Manar, 2092 Tunis (Tunisia); Observatoire de Paris-Meudon, Sorbonne Universités, UPMC Univ Paris 06, UMR8112 du CNRS, LERMA, 5 Place Jules Janssen, 92195 Meudon cedex (France); Institut Supérieur des Arts Multimédia de la Manouba, Université de la Manouba, 2010 la Manouba (Tunisia)

2016-08-02

This work reports a reduced dimensionality rate constant calculation of the H-abstraction reaction from formaldehyde. Quantum scattering calculations are performed treating explicitly the bonds being broken and formed. Geometry optimisations and frequency calculations are done at the MP2/cc-pVTZ level while energies are calculated with the CCSD(T) method. An analytical potential energy surface was developed from a relatively small number of grid points. When compared to semi-classical approaches, the quantum scattering calculations show that quantum tunnelling yields large contributions at low temperatures. At 200 K, we note a difference of about 5 orders of magnitude between transition state theory (TST) and quantum rate constants. Our predicted results show that the quantum and the CVT/SCT rate constants are in reasonable agreement with the available experiment at high temperatures, but that the last one gives better agreement to experimental results at low temperatures.

7th Czechoslovak spectroscopic conference and VIIIth CANAS (Conference on analytical atomic spectroscopy). Abstracts. Vol. 2

International Nuclear Information System (INIS)

1984-01-01

The conference on spectroscopy held in Ceske Budejovice on June 18-22, 1984, proceeded in three sessions: atomic spectroscopy, molecular spectroscopy and special spectroscopic techniques. In the molecular spectroscopy session, 81 papers were read of which 12 were inputted in INIS. The subject of inputted papers was the use of NMR for the analysis of organic compounds and for the study of radiation defects in semiconductors, and the use of infrared spectroscopy for the analysis of nuclear and irradiated materials. (J.P.)

Laser-assisted atom-atom collisions

International Nuclear Information System (INIS)

Roussel, F.

1984-01-01

The basic layer-assisted atom-atom collision processes are reviewed in order to get a simpler picture of the main physical facts. The processes can be separated into two groups: optical collisions where only one atom is changing state during the collision, the other acting as a spectator atom, and radiative collisions where the states of the two atoms are changing during the collision. All the processes can be interpreted in terms of photoexcitation of the quasimolecule formed during the collisional process. (author)

Accurate characterization and understanding of interface trap density trends between atomic layer deposited dielectrics and AlGaN/GaN with bonding constraint theory

Energy Technology Data Exchange (ETDEWEB)

Ramanan, Narayanan; Lee, Bongmook; Misra, Veena, E-mail: vmisra@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, 2410 Campus Shore Drive, Raleigh, North Carolina 27695 (United States)

2015-06-15

Many dielectrics have been proposed for the gate stack or passivation of AlGaN/GaN based metal oxide semiconductor heterojunction field effect transistors, to reduce gate leakage and current collapse, both for power and RF applications. Atomic Layer Deposition (ALD) is preferred for dielectric deposition as it provides uniform, conformal, and high quality films with precise monolayer control of film thickness. Identification of the optimum ALD dielectric for the gate stack or passivation requires a critical investigation of traps created at the dielectric/AlGaN interface. In this work, a pulsed-IV traps characterization method has been used for accurate characterization of interface traps with a variety of ALD dielectrics. High-k dielectrics (HfO{sub 2}, HfAlO, and Al{sub 2}O{sub 3}) are found to host a high density of interface traps with AlGaN. In contrast, ALD SiO{sub 2} shows the lowest interface trap density (<2 × 10{sup 12 }cm{sup −2}) after annealing above 600 °C in N{sub 2} for 60 s. The trend in observed trap densities is subsequently explained with bonding constraint theory, which predicts a high density of interface traps due to a higher coordination state and bond strain in high-k dielectrics.

The detection of cold antihydrogen atoms

International Nuclear Information System (INIS)

Zhang, Zhongdong

2007-01-01

The ATRAP experiment at CERN's antiproton decelerator (AD) aims for a test of CPT violation and Lorentz invariance by a comparison of hydrogen to antihydrogen atom spectroscopy and a measurement of the gravitational force on antimatter atoms. The experiment is divided into two parts: ATRAP-I, where successfully antihydrogen atoms were produced and intensive studies on the charged clouds of positrons and antiprotons were performed, and ATRAP-II which was commissioned during the beam-time 2006. ATRAP-II includes a much larger superconducting solenoid bore allowing the installation of an extended detection system as well as an optimized combined Penning-Ioffe trap. Another essential part is a new positron accumulator and delivery system which will increase the ATRAP-II efficiency drastically. Thus ATRAP-II now allows for much larger flexibility, increased performance, higher robustness, and better efficiency for the production and storage of cold antihydrogen atoms. A general overview of the experimental setup for the second phase of the ATRAP experiment will be presented in this thesis. The antiproton annihilation detector system, consisting of several layers of scintillating fibers, counts the antihydrogen atoms and determines the annihilation vertex of the atoms. This diagnostic element will allow to optimize the production of cold antihydrogen sufficiently to permit optical observations and measurements. Extensive Monte Carlo simulations concerning the track fitting and vertex reconstruction have been developed during the planned interruption of antiproton production at AD in the year 2005. Different event generators, magnetic field distributions as well as data reconstruction algorithms on simulated data were established and the results were compared to data in 2006. To improve the detector position resolution, a constraint-fit procedure was adopted. Further possible improvements, by applying certain cuts on the data, were investigated. Real-time measurements

Financing Constraints and Entrepreneurship

OpenAIRE

William R. Kerr; Ramana Nanda

2009-01-01

Financing constraints are one of the biggest concerns impacting potential entrepreneurs around the world. Given the important role that entrepreneurship is believed to play in the process of economic growth, alleviating financing constraints for would-be entrepreneurs is also an important goal for policymakers worldwide. We review two major streams of research examining the relevance of financing constraints for entrepreneurship. We then introduce a framework that provides a unified perspecti...

Challenging the Science Curriculum Paradigm: Teaching Primary Children Atomic-Molecular Theory

Science.gov (United States)

Haeusler, Carole; Donovan, Jennifer

2017-11-01

Solutions to global issues demand the involvement of scientists, yet concern exists about retention rates in science as students pass through school into University. Young children are curious about science, yet are considered incapable of grappling with abstract and microscopic concepts such as atoms, sub-atomic particles, molecules and DNA. School curricula for primary (elementary) aged children reflect this by their limitation to examining only what phenomena are without providing any explanatory frameworks for how or why they occur. This research challenges the assumption that atomic-molecular theory is too difficult for young children, examining new ways of introducing atomic theory to 9 year olds and seeks to verify their efficacy in producing genuine learning in the participants. Early results in three cases in different schools indicate these novel methods fostered further interest in science, allowed diverse children to engage and learn aspects of atomic theory, and satisfied the children's desire for intellectual challenge. Learning exceeded expectations as demonstrated in the post-interview findings. Learning was also remarkably robust, as demonstrated in two schools 8 weeks after the intervention and, in one school, 1 year after their first exposure to ideas about atoms, elements and molecules.

Creativity from Constraints in Engineering Design

DEFF Research Database (Denmark)

Onarheim, Balder

2012-01-01

This paper investigates the role of constraints in limiting and enhancing creativity in engineering design. Based on a review of literature relating constraints to creativity, the paper presents a longitudinal participatory study from Coloplast A/S, a major international producer of disposable...... and ownership of formal constraints played a crucial role in defining their influence on creativity – along with the tacit constraints held by the designers. The designers were found to be highly constraint focused, and four main creative strategies for constraint manipulation were observed: blackboxing...

An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.

Science.gov (United States)

Greene, Samuel M; Shan, Xiao; Clary, David C

2016-02-28

We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.

Transport of radioactive material. 1994-2002. International Atomic Energy Agency publications

International Nuclear Information System (INIS)

2002-10-01

This document lists all sales publications, IAEA-TECDOC Series, Training Course Series and National Competent Authorities Lists of the International Atomic Energy Agency dealing with the transport of radioactive materials during the period 1994-2002. It gives a short abstract and contents of these issues along with their costs in EURO

Dirac equation, hydrogen atom spectrum and the Lamb shift in ...

Indian Academy of Sciences (India)

2017-04-12

Apr 12, 2017 ... Abstract. We derive the relativistic Hamiltonian of hydrogen atom in dynamical non-commutative spaces. (DNCS or τ-space). Using this Hamiltonian we calculate the energy shift of the ground state as well the 2P1/2, 2S1/2 levels. In all the cases, the energy shift depends on the dynamical non-commutative ...

Programme and abstracts

International Nuclear Information System (INIS)

1975-01-01

Abstracts of 25 papers presented at the congress are given. The abstracts cover various topics including radiotherapy, radiopharmaceuticals, radioimmunoassay, health physics, radiation protection and nuclear medicine

2018 Congress Podium Abstracts

Science.gov (United States)

2018-02-21

Each abstract has been indexed according to first author. Abstracts appear as they were submitted and have not undergone editing or the Oncology Nursing Forum’s review process. Only abstracts that will be presented appear here. For Congress scheduling information, visit congress.ons.org or check the Congress guide. Data published in abstracts presented at the ONS 43rd Annual Congress are embargoed until the conclusion of the presentation. Coverage and/or distribution of an abstract, poster, or any of its supplemental material to or by the news media, any commercial entity, or individuals, including the authors of said abstract, is strictly prohibited until the embargo is lifted. Promotion of general topics and speakers is encouraged within these guidelines.

Atom Skimmers and Atom Lasers Utilizing Them

Science.gov (United States)

Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

2005-01-01

Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

Temperature Sensitivity of an Atomic Vapor Cell-Based Dispersion-Enhanced Optical Cavity

Science.gov (United States)

Myneni, K.; Smith, D. D.; Chang, H.; Luckay, H. A.

2015-01-01

Enhancement of the response of an optical cavity to a change in optical path length, through the use of an intracavity fast-light medium, has previously been demonstrated experimentally and described theoretically for an atomic vapor cell as the intracavity resonant absorber. This phenomenon may be used to enhance both the scale factor and sensitivity of an optical cavity mode to the change in path length, e.g. in gyroscopic applications. We study the temperature sensitivity of the on-resonant scale factor enhancement, S(sub o), due to the thermal sensitivity of the lower-level atom density in an atomic vapor cell, specifically for the case of the Rb-87 D(sub 2) transition. A semi-empirical model of the temperature-dependence of the absorption profile, characterized by two parameters, a(sub o)(T) and gamma(sub a)(T) allows the temperature-dependence of the cavity response, S(sub o)(T) and dS(sub o)/dT to be predicted over a range of temperature. We compare the predictions to experiment. Our model will be useful in determining the useful range for S(sub o), given the practical constraints on temperature stability for an atomic vapor cell.

Deepening Contractions and Collateral Constraints

DEFF Research Database (Denmark)

Jensen, Henrik; Ravn, Søren Hove; Santoro, Emiliano

and occasionally non-binding credit constraints. Easier credit access increases the likelihood that constraints become slack in the face of expansionary shocks, while contractionary shocks are further amplified due to tighter constraints. As a result, busts gradually become deeper than booms. Based...

2018 Congress Poster Abstracts

Science.gov (United States)

2018-02-21

Each abstract has been indexed according to the first author. Abstracts appear as they were submitted and have not undergone editing or the Oncology Nursing Forum’s review process. Only abstracts that will be presented appear here. Poster numbers are subject to change. For updated poster numbers, visit congress.ons.org or check the Congress guide. Data published in abstracts presented at the ONS 43rd Annual Congress are embargoed until the conclusion of the presentation. Coverage and/or distribution of an abstract, poster, or any of its supplemental material to or by the news media, any commercial entity, or individuals, including the authors of said abstract, is strictly prohibited until the embargo is lifted. Promotion of general topics and speakers is encouraged within these guidelines.

Waste management research abstracts no. 14

International Nuclear Information System (INIS)

1983-04-01

The present 14th issue is the second of the new series of Waste Management Research Abstracts, which are reappearing after a three-year suspension. The new series appears in a substantially innovated form. Although the objective of the publication is the same as before, namely to collect and disseminate information on research in progress in the field of nuclear waste management, the format for presentation of the information is a new data sheet in a standardized form, access to which will be made possible by different indexes. The 408 research data sheets contained in this issue have been collected during recent months, ending 15 January 1983, and reflect research currently in progress. They were sent by the Governments of twenty-five Member States, by the International Atomic Energy Agency, and by the Commission of the European Communities. Though the information contained in this publication covers a wide range of subjects in various countries, the WMRA should not be interpreted as providing a complete survey of on-going research in IAEA Member States

Occupational dose constraint

International Nuclear Information System (INIS)

Heilbron Filho, Paulo Fernando Lavalle; Xavier, Ana Maria

2005-01-01

The revision process of the international radiological protection regulations has resulted in the adoption of new concepts, such as practice, intervention, avoidable and restriction of dose (dose constraint). The latter deserving of special mention since it may involve reducing a priori of the dose limits established both for the public and to individuals occupationally exposed, values that can be further reduced, depending on the application of the principle of optimization. This article aims to present, with clarity, from the criteria adopted to define dose constraint values to the public, a methodology to establish the dose constraint values for occupationally exposed individuals, as well as an example of the application of this methodology to the practice of industrial radiography

Environment, 1986-1997. International Atomic Energy Agency publications

International Nuclear Information System (INIS)

1998-04-01

This catalogue lists all sales publications of the International Atomic Energy Agency dealing with Environment and issued during the period of 1986-1997. Some earlier titles which form part of an established series or are still considered of importance have been included. Most publications are in English. Proceedings of conferences, symposia and panels of experts may contain papers in languages other than English, but all of these papers have abstracts in English

Providing Memory Management Abstraction for Self-Reconfigurable Video Processing Platforms

Directory of Open Access Journals (Sweden)

Kurt Franz Ackermann

2009-01-01

Full Text Available This paper presents a concept for an SDRAM controller targeting video processing platforms with dynamically reconfigurable processing units (RPUs. A priority-arbitration algorithm provides the required QoS and supports high bit-rate data streaming of multiple clients. Conforming to common video data structures the controller organizes the memory in partitions, frames, lines, and pixels. The raised level of abstraction drastically reduces the complexity of clients' addressing logic. Its uniform interface structure facilitates instantiations in systems with various clients. In addition to SDRAM controllers for regular applications, special demands of reconfigurable platforms have to be satisfied. The aim of this work is to minimize the number of required bus macros leading to relaxed place and route constraints and reducing the number of critical design paths. A suitable interface protocol is presented, and fundamental implementation issues are outlined.

Precision spectroscopy on atomic hydrogen

International Nuclear Information System (INIS)

Parthey, Christian Godehard

2011-01-01

This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as Δ∫ exp =670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, Δ∫ th =670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r 2 right angle d - left angle r 2 right angle p =3.82007(65) fm 2 and the deuteron structure radius r str =1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be ∫ 1S-2S =2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10 -15 . The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of ∫ 1S-2S =2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c (TX) -0.29c (TY) -0.08 c (TZ) =(2.2±1.8) x 10 -11 within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level (∂)/(∂t)ln (μ Cs )/(μ B )=-(3.0±1.2) x 10 -15 yr -1 .

Comparison of thermal compatibility between atomized and comminuted U{sub 3}Si dispersion fuels

Energy Technology Data Exchange (ETDEWEB)

Ryu, Woo-Seog; Park, Jong-Man; Kim, Chang-Kyu; Kuk, II-Hyun [Korea Atomic Research Institute, Taejon (Korea, Republic of)

1997-08-01

Thermal compatibility of atomized U{sub 3}Si dispersion fuels were evaluated up to 2600 hours in the temperature range from 250 to 500{degrees}C, and compared with that of comminuted U{sub 3}Si. Atomized U{sub 3}Si showed better performance in terms of volume expansion of fuel meats. The reaction zone of U{sub 3}Si and Al occurred along the grain boundaries and deformation bands in U{sub 3}Si particles. Pores around fuel particles appeared at high temperature or after long-term annealing tests to remain diffusion paths over the trench of the pores. The constraint effects of cladding on fuel rod suppressed the fuel meat, and reduced the volume expansion.

Atoms

International Nuclear Information System (INIS)

Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean

2014-01-01

Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

Solar constraints

International Nuclear Information System (INIS)

Provost, J.

1984-01-01

Accurate tests of the theory of stellar structure and evolution are available from the Sun's observations. The solar constraints are reviewed, with a special attention to the recent progress in observing global solar oscillations. Each constraint is sensitive to a given region of the Sun. The present solar models (standard, low Z, mixed) are discussed with respect to neutrino flux, low and high degree five-minute oscillations and low degree internal gravity modes. It appears that actually there do not exist solar models able to fully account for all the observed quantities. (Auth.)

Temporal Concurrent Constraint Programming

DEFF Research Database (Denmark)

Nielsen, Mogens; Valencia Posso, Frank Dan

2002-01-01

The ntcc calculus is a model of non-deterministic temporal concurrent constraint programming. In this paper we study behavioral notions for this calculus. In the underlying computational model, concurrent constraint processes are executed in discrete time intervals. The behavioral notions studied...... reflect the reactive interactions between concurrent constraint processes and their environment, as well as internal interactions between individual processes. Relationships between the suggested notions are studied, and they are all proved to be decidable for a substantial fragment of the calculus...

Sub-nanometer resolution XPS depth profiling: Sensing of atoms

Energy Technology Data Exchange (ETDEWEB)

Szklarczyk, Marek, E-mail: szklarcz@chem.uw.edu.pl [Faculty of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warsaw (Poland); Shim-Pol, ul. Lubomirskiego 5, 05-080 Izabelin (Poland); Macak, Karol; Roberts, Adam J. [Kratos Analytical Ltd, Wharfside, Trafford Wharf Road, Manchester, M17 1GP (United Kingdom); Takahashi, Kazuhiro [Kratos XPS Section, Shimadzu Corp., 380-1 Horiyamashita, Hadano, Kanagawa 259-1304 (Japan); Hutton, Simon [Kratos Analytical Ltd, Wharfside, Trafford Wharf Road, Manchester, M17 1GP (United Kingdom); Głaszczka, Rafał [Shim-Pol, ul. Lubomirskiego 5, 05-080 Izabelin (Poland); Blomfield, Christopher [Kratos Analytical Ltd, Wharfside, Trafford Wharf Road, Manchester, M17 1GP (United Kingdom)

2017-07-31

Highlights: • Angle resolved photoelectron depth profiling of nano thin films. • Sensing atomic position in SAM films. • Detection of direction position of adsorbed molecules. - Abstract: The development of a method capable of distinguishing a single atom in a single molecule is important in many fields. The results reported herein demonstrate sub-nanometer resolution for angularly resolved X-ray photoelectron spectroscopy (ARXPS). This is made possible by the incorporation of a Maximum Entropy Method (MEM) model, which utilize density corrected electronic emission factors to the X-ray photoelectron spectroscopy (XPS) experimental results. In this paper we report on the comparison between experimental ARXPS results and reconstructed for both inorganic and organic thin film samples. Unexpected deviations between experimental data and calculated points are explained by the inaccuracy of the constants and standards used for the calculation, e.g. emission factors, scattering intensity and atomic density through the studied thickness. The positions of iron, nitrogen and fluorine atoms were determined in the molecules of the studied self-assembled monolayers. It has been shown that reconstruction of real spectroscopic data with 0.2 nm resolution is possible.

Magnetism, microstructure and First Principles calculations of atomized and annealed Ni3Al

International Nuclear Information System (INIS)

García-Escorial, A.; Crespo, P.; Hernando, A.; Lieblich, M.; Marín, P.; Velasco, V.; Ynduráin, F.

2014-01-01

Highlights: • The microstructure and order of as-atomized Ni 3 Al powder change with annealing. • The change of the magnetic properties shows the influence of the chemical order. • First Principles calculations show the effect of the density of states to the order. - Abstract: In this work Ni 3 Al powder particles obtained by atomization were characterized magnetically and microstructurally in as-atomized state and after annealing. Upon annealing the X-ray diffraction patterns show a noticeable increase of the signal of the ordered phase γ′-Ni 3 Al, L1 2 , phase and the microstructure evolves from a lamellar and dendrite to a large grain microstructure. The Curie temperature of the as-atomized powder particles is 85 K and decreases after annealing down to 50 K. First Principles calculations were carried out to correlate the experimental observations with local order of Ni and Al atoms and illustrate the importance of the local order in the density of states at the Fermi level, showing how the magnetic moment depends on the Ni and Al atomic position

Theory of Constraints (TOC)

DEFF Research Database (Denmark)

Michelsen, Aage U.

2004-01-01

Tankegangen bag Theory of Constraints samt planlægningsprincippet Drum-Buffer-Rope. Endvidere skitse af The Thinking Process.......Tankegangen bag Theory of Constraints samt planlægningsprincippet Drum-Buffer-Rope. Endvidere skitse af The Thinking Process....

Discussion forum for researchers in nuclear geology: programme, abstracts and newsletter, Pelindaba, Republic of South Africa

International Nuclear Information System (INIS)

Brynard, H.J.

1985-01-01

The Atomic Energy Corporation of SA Ltd sponsors research in nuclear geology at several South African universities with a view to delineating target areas for uranium prospecting by mining companies. This report covers research done on uranium and thorium mineralization, geohydrology, age estimation, nuclear techniques and isotopic studies. The results of the researches reported is necessarily not complete and the abstracts in this volume should therefore not be regarded as conclusive

Constraint Embedding for Multibody System Dynamics

Science.gov (United States)

Jain, Abhinandan

2009-01-01

This paper describes a constraint embedding approach for the handling of local closure constraints in multibody system dynamics. The approach uses spatial operator techniques to eliminate local-loop constraints from the system and effectively convert the system into tree-topology systems. This approach allows the direct derivation of recursive O(N) techniques for solving the system dynamics and avoiding the expensive steps that would otherwise be required for handling the closedchain dynamics. The approach is very effective for systems where the constraints are confined to small-subgraphs within the system topology. The paper provides background on the spatial operator O(N) algorithms, the extensions for handling embedded constraints, and concludes with some examples of such constraints.

Program and abstracts

Energy Technology Data Exchange (ETDEWEB)

1975-01-01

Abstracts of the papers given at the conference are presented. The abstracts are arranged under sessions entitled:Theoretical Physics; Nuclear Physics; Solid State Physics; Spectroscopy; Physics Education; SANCGASS; Astronomy; Plasma Physics; Physics in Industry; Applied and General Physics.

Program and abstracts

International Nuclear Information System (INIS)

1975-01-01

Abstracts of the papers given at the conference are presented. The abstracts are arranged under sessions entitled:Theoretical Physics; Nuclear Physics; Solid State Physics; Spectroscopy; Physics Education; SANCGASS; Astronomy; Plasma Physics; Physics in Industry; Applied and General Physics

Selection of new constraints

International Nuclear Information System (INIS)

Sugier, A.

2003-01-01

The selected new constraints should be consistent with the scale of concern i.e. be expressed roughly as fractions or multiples of the average annual background. They should take into account risk considerations and include the values of the currents limits, constraints and other action levels. The recommendation is to select four leading values for the new constraints: 500 mSv ( single event or in a decade) as a maximum value, 0.01 mSv/year as a minimum value; and two intermediate values: 20 mSv/year and 0.3 mSv/year. This new set of dose constraints, representing basic minimum standards of protection for the individuals taking into account the specificity of the exposure situations are thus coherent with the current values which can be found in ICRP Publications. A few warning need however to be noticed: There is no more multi sources limit set by ICRP. The coherence between the proposed value of dose constraint (20 mSv/year) and the current occupational dose limit of 20 mSv/year is valid only if the workers are exposed to one single source. When there is more than one source, it will be necessary to apportion. The value of 1000 mSv lifetimes used for relocation can be expressed into annual dose, which gives approximately 10 mSv/year and is coherent with the proposed dose constraint. (N.C.)

Program and abstracts

International Nuclear Information System (INIS)

1976-01-01

Abstracts of the papers given at the conference are presented. The abstracts are arranged under sessions entitled: Theoretical Physics; Nuclear Physics; Solid State Physics; Spectroscopy; Plasma Physics; Solar-Terrestrial Physics; Astrophysics and Astronomy; Radioastronomy; General Physics; Applied Physics; Industrial Physics

Introduction to abstract algebra

CERN Document Server

Nicholson, W Keith

2012-01-01

Praise for the Third Edition ". . . an expository masterpiece of the highest didactic value that has gained additional attractivity through the various improvements . . ."-Zentralblatt MATH The Fourth Edition of Introduction to Abstract Algebra continues to provide an accessible approach to the basic structures of abstract algebra: groups, rings, and fields. The book's unique presentation helps readers advance to abstract theory by presenting concrete examples of induction, number theory, integers modulo n, and permutations before the abstract structures are defined. Readers can immediately be

Single-atom lasing induced atomic self-trapping

International Nuclear Information System (INIS)

Salzburger, T.; Ritsch, H.

2004-01-01

We study atomic center of mass motion and field dynamics of a single-atom laser consisting of a single incoherently pumped free atom moving in an optical high-Q resonator. For sufficient pumping, the system starts lasing whenever the atom is close to a field antinode. If the field mode eigenfrequency is larger than the atomic transition frequency, the generated laser light attracts the atom to the field antinode and cools its motion. Using quantum Monte Carlo wave function simulations, we investigate this coupled atom-field dynamics including photon recoil and cavity decay. In the regime of strong coupling, the generated field shows strong nonclassical features like photon antibunching, and the atom is spatially confined and cooled to sub-Doppler temperatures. (author)

Minimal Flavor Constraints for Technicolor

DEFF Research Database (Denmark)

Sakuma, Hidenori; Sannino, Francesco

2010-01-01

We analyze the constraints on the the vacuum polarization of the standard model gauge bosons from a minimal set of flavor observables valid for a general class of models of dynamical electroweak symmetry breaking. We will show that the constraints have a strong impact on the self-coupling and mas......We analyze the constraints on the the vacuum polarization of the standard model gauge bosons from a minimal set of flavor observables valid for a general class of models of dynamical electroweak symmetry breaking. We will show that the constraints have a strong impact on the self...

Abstracting Concepts and Methods.

Science.gov (United States)

Borko, Harold; Bernier, Charles L.

This text provides a complete discussion of abstracts--their history, production, organization, publication--and of indexing. Instructions for abstracting are outlined, and standards and criteria for abstracting are stated. Management, automation, and personnel are discussed in terms of possible economies that can be derived from the introduction…

Ultracold atoms on atom chips

DEFF Research Database (Denmark)

Krüger, Peter; Hofferberth, S.; Haller, E.

2005-01-01

Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

Temporal Concurrent Constraint Programming

DEFF Research Database (Denmark)

Nielsen, Mogens; Palamidessi, Catuscia; Valencia, Frank Dan

2002-01-01

The ntcc calculus is a model of non-deterministic temporal concurrent constraint programming. In this paper we study behavioral notions for this calculus. In the underlying computational model, concurrent constraint processes are executed in discrete time intervals. The behavioral notions studied...

Toward electron exit wave tomography of amorphous materials at atomic resolution

Energy Technology Data Exchange (ETDEWEB)

Borisenko, Konstantin B., E-mail: konstantin.borisenko@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Moldovan, Grigore [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Kirkland, Angus I., E-mail: angus.kirkland@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Van Dyck, Dirk [Department of Physics, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Tang, Hsin-Yu; Chen, Fu-Rong [Department of Engineering and System Science, National Tsing Hua University, Kuang-Fu Road, 300 Hsinchu, Taiwan (China)

2012-09-25

Highlights: Black-Right-Pointing-Pointer We suggest a novel electron exit wave tomography approach to obtain three dimensional atomic structures of amorphous materials. Black-Right-Pointing-Pointer Theoretical tests using a model of amorphous Si doped with Au show that it is feasible to reconstruct both Si and Au atoms positions. Black-Right-Pointing-Pointer Reconstructions of the strongly scattering Au atoms positions appear to be insensitive to typical experimental errors. - Abstract: We suggest to use electron exit wave phase for tomographic reconstruction of structure of Au-doped amorphous Si with atomic resolution. In the present theoretical investigation into the approach it is found that the number of projections and the accuracy of defocus in the focal series restoration are the main factors that contribute to the final resolution. Although resolution is ultimately limited by these factors, phase shifts in the exit wave are sufficient to identify the position of Au atoms in an amorphous Si needle model, even when only 19 projections with defocus error of 4 nm are used. Electron beam damage will probably further limit the resolution of such tomographic reconstructions, however beam damage can be mitigated using lower accelerating voltages.

Newer developments on self-modeling curve resolution implementing equality and unimodality constraints.

Science.gov (United States)

Beyramysoltan, Samira; Abdollahi, Hamid; Rajkó, Róbert

2014-05-27

Analytical self-modeling curve resolution (SMCR) methods resolve data sets to a range of feasible solutions using only non-negative constraints. The Lawton-Sylvestre method was the first direct method to analyze a two-component system. It was generalized as a Borgen plot for determining the feasible regions in three-component systems. It seems that a geometrical view is required for considering curve resolution methods, because the complicated (only algebraic) conceptions caused a stop in the general study of Borgen's work for 20 years. Rajkó and István revised and elucidated the principles of existing theory in SMCR methods and subsequently introduced computational geometry tools for developing an algorithm to draw Borgen plots in three-component systems. These developments are theoretical inventions and the formulations are not always able to be given in close form or regularized formalism, especially for geometric descriptions, that is why several algorithms should have been developed and provided for even the theoretical deductions and determinations. In this study, analytical SMCR methods are revised and described using simple concepts. The details of a drawing algorithm for a developmental type of Borgen plot are given. Additionally, for the first time in the literature, equality and unimodality constraints are successfully implemented in the Lawton-Sylvestre method. To this end, a new state-of-the-art procedure is proposed to impose equality constraint in Borgen plots. Two- and three-component HPLC-DAD data set were simulated and analyzed by the new analytical curve resolution methods with and without additional constraints. Detailed descriptions and explanations are given based on the obtained abstract spaces. Copyright © 2014 Elsevier B.V. All rights reserved.

A multi-period, multi-regional generation expansion planning model incorporating unit commitment constraints

International Nuclear Information System (INIS)

Koltsaklis, Nikolaos E.; Georgiadis, Michael C.

2015-01-01

Highlights: • A short-term structured investment planning model has been developed. • Unit commitment problem is incorporated into the long-term planning horizon. • Inherent intermittency of renewables is modelled in a comprehensive way. • The impact of CO_2 emission pricing in long-term investment decisions is quantified. • The evolution of system’s marginal price is evaluated for all the planning horizon. - Abstract: This work presents a generic mixed integer linear programming (MILP) model that integrates the unit commitment problem (UCP), i.e., daily energy planning with the long-term generation expansion planning (GEP) framework. Typical daily constraints at an hourly level such as start-up and shut-down related decisions (start-up type, minimum up and down time, synchronization, soak and desynchronization time constraints), ramping limits, system reserve requirements are combined with representative yearly constraints such as power capacity additions, power generation bounds of each unit, peak reserve requirements, and energy policy issues (renewables penetration limits, CO_2 emissions cap and pricing). For modelling purposes, a representative day (24 h) of each month over a number of years has been employed in order to determine the optimal capacity additions, electricity market clearing prices, and daily operational planning of the studied power system. The model has been tested on an illustrative case study of the Greek power system. Our approach aims to provide useful insight into strategic and challenging decisions to be determined by investors and/or policy makers at a national and/or regional level by providing the optimal energy roadmap under real operating and design constraints.

Atomic structure of shear bands in Cu64Zr36 metallic glasses studied by molecular dynamics simulations

International Nuclear Information System (INIS)

Feng, Shidong; Qi, Li; Wang, Limin; Pan, Shaopeng; Ma, Mingzhen; Zhang, Xinyu; Li, Gong; Liu, Riping

2015-01-01

Graphical abstract: Figure shows that atoms in the shear band (SB) moved desultorily compared with those in the matrix. These atoms seriously interacted with each other similar to the grain boundary in crystalline materials. Figuratively, if these atoms wanted to “pass” the shear band, they should arrange their irritations. However, stress concentrations and high energy were observed in SB, which resulted in instability in the deformation process and finally led to a disastrously brittle fracture. - Abstract: Molecular dynamics simulations on the atomic structure of shear bands (SBs) in Cu 64 Zr 36 metallic glasses are presented. Results show that the atoms in the SB move desultorily, in contrast to those in the matrix. The saturated degree of bonded pairs considering the “liquid-like” character of SB quantitatively provides important details in extending earlier studies on SBs. Zr-centered 〈0, 2, 8, 5〉 clusters exhibit strong spatial correlations and tendency to connect with each other in short-range order. The 〈0, 2, 8, 5〉 cluster-type medium-range order is the main feature inside the SB relative to the matrix. The fractal results demonstrate the planar-like fashion of the 〈0, 2, 8, 5〉 network in SB, forming an interpenetrating solid-like backbone. Such heterogeneous structure provides a fundamental structural perspective of mechanical instability in SB

Efficient Searching with Linear Constraints

DEFF Research Database (Denmark)

Agarwal, Pankaj K.; Arge, Lars Allan; Erickson, Jeff

2000-01-01

We show how to preprocess a set S of points in d into an external memory data structure that efficiently supports linear-constraint queries. Each query is in the form of a linear constraint xd a0+∑d−1i=1 aixi; the data structure must report all the points of S that satisfy the constraint. This pr...

Constraint qualifications and optimality conditions for optimization problems with cardinality constraints

Czech Academy of Sciences Publication Activity Database

Červinka, Michal; Kanzow, Ch.; Schwartz, A.

2016-01-01

Roč. 160, č. 1 (2016), s. 353-377 ISSN 0025-5610 R&D Projects: GA ČR GAP402/12/1309; GA ČR GA15-00735S Institutional support: RVO:67985556 Keywords : Cardinality constraints * Constraint qualifications * Optimality conditions * KKT conditions * Strongly stationary points Subject RIV: BA - General Mathematics Impact factor: 2.446, year: 2016 http://library.utia.cas.cz/separaty/2016/MTR/cervinka-0461165.pdf

Completeness of Lyapunov Abstraction

Directory of Open Access Journals (Sweden)

Rafael Wisniewski

2013-08-01

Full Text Available In this work, we continue our study on discrete abstractions of dynamical systems. To this end, we use a family of partitioning functions to generate an abstraction. The intersection of sub-level sets of the partitioning functions defines cells, which are regarded as discrete objects. The union of cells makes up the state space of the dynamical systems. Our construction gives rise to a combinatorial object - a timed automaton. We examine sound and complete abstractions. An abstraction is said to be sound when the flow of the time automata covers the flow lines of the dynamical systems. If the dynamics of the dynamical system and the time automaton are equivalent, the abstraction is complete. The commonly accepted paradigm for partitioning functions is that they ought to be transversal to the studied vector field. We show that there is no complete partitioning with transversal functions, even for particular dynamical systems whose critical sets are isolated critical points. Therefore, we allow the directional derivative along the vector field to be non-positive in this work. This considerably complicates the abstraction technique. For understanding dynamical systems, it is vital to study stable and unstable manifolds and their intersections. These objects appear naturally in this work. Indeed, we show that for an abstraction to be complete, the set of critical points of an abstraction function shall contain either the stable or unstable manifold of the dynamical system.

Local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys investigated by EXAFS method

International Nuclear Information System (INIS)

Antonowicz, J.; Pietnoczka, A.; Zalewski, W.; Bacewicz, R.; Stoica, M.; Georgarakis, K.; Yavari, A.R.

2011-01-01

Research highlights: → Coordination number, interatomic distances and mean square atomic displacement in Zr-Cu and Zr-Cu-Al glasses. → Icosahedral symmetry in local atomic structure. → Deviation from random mixing behavior resulting from Al addition. - Abstract: We report on extended X-ray absorption fine structure (EXAFS) study of rapidly quenched Zr-Cu and Zr-Cu-Al glassy alloys. The local atomic order around Zr and Cu atoms was investigated. From the EXAFS data fitting the values of coordination number, interatomic distances and mean square atomic displacement were obtained for wide range of compositions. It was found that icosahedral symmetry rather than that of corresponding crystalline analogs dominates in the local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys. Judging from bonding preferences we conclude that addition of Al as an alloying element results in considerable deviation from random mixing behavior observed in binary Zr-Cu alloys.

Atoms and Ions; Universality, Singularity and Particularity:. on Boltzmann's Vision a Century Later

Science.gov (United States)

Fisher, Michael

2008-12-01

Ludwig Boltzmann died by his own hand 101 years ago last September. He was a passionate believer in atoms: underlying thermodynamics, he felt, lay a statistical world governed by the mechanics of individual particles. His struggles against critics -- "Have you ever seen an atom?" taunted Ernst Mach -- left him pessimistic. Nevertheless, following Maxwell and clarified by Gibbs, he established the science of Statistical Mechanics. But today, especially granted our understanding of critical singularities and their universality, how much do atomic particles and their charged partners, ions, really matter? The answers we have also met opposition. But Boltzmann would have welcomed the insights gained and approved of applications of statistical dynamics to biology, sociology, and other enterprises. Note from Publisher: This article contains the abstract only.

Abstract algebra

CERN Document Server

Garrett, Paul B

2007-01-01

Designed for an advanced undergraduate- or graduate-level course, Abstract Algebra provides an example-oriented, less heavily symbolic approach to abstract algebra. The text emphasizes specifics such as basic number theory, polynomials, finite fields, as well as linear and multilinear algebra. This classroom-tested, how-to manual takes a more narrative approach than the stiff formalism of many other textbooks, presenting coherent storylines to convey crucial ideas in a student-friendly, accessible manner. An unusual feature of the text is the systematic characterization of objects by universal

Atomic hydrogen and oxygen adsorptions in single-walled zigzag silicon nanotubes

International Nuclear Information System (INIS)

Chen, Haoliang; Ray, Asok K.

2013-01-01

Ab initio calculations have been performed to study the electronic and geometric structure properties of zigzag silicon nanotubes. Full geometry and spin optimizations have been performed without any symmetry constraints with an all electron 3-21G* basis set and the B3LYP hybrid functional. The largest zigzag SiNT studied here, (12, 0), has a binding energy per atom of 3.584 eV. Atomic hydrogen and oxygen adsorptions on (9, 0) and (10, 0) nanotubes have also been studied by optimizing the distances of the adatoms from both inside and outside the tube. The adatom is initially placed in four adsorption sites-parallel bridge (PB), zigzag bridge (ZB), hollow, and on-top site. The on-top site is the most preferred site for hydrogen atom adsorbed on (9, 0), with an adsorption energy of 3.0 eV and an optimized distance of 1.49 Å from the adatom to the nearest silicon atom. For oxygen adsorption on (9, 0), the most preferred site is the ZB site, with an adsorption energy of 5.987 eV and an optimized distance of 1.72 Å. For atomic hydrogen adsorption on (10, 0), the most preferred site is also the on-top site with an adsorption energy of 3.174 eV and an optimized distance of 1.49 Å. For adsorption of atomic oxygen on (10, 0), the most preferred site is PB site, with an adsorption energy of 6.306 eV and an optimized distance of 1.71 Å. The HOMO–LUMO gaps of (9, 0) after adsorptions of hydrogen and oxygen atoms decrease while the HOMO–LUMO gaps of (10, 0) increase after adsorption of hydrogen and oxygen

Reduction Of Constraints For Coupled Operations

International Nuclear Information System (INIS)

Raszewski, F.; Edwards, T.

2009-01-01

The homogeneity constraint was implemented in the Defense Waste Processing Facility (DWPF) Product Composition Control System (PCCS) to help ensure that the current durability models would be applicable to the glass compositions being processed during DWPF operations. While the homogeneity constraint is typically an issue at lower waste loadings (WLs), it may impact the operating windows for DWPF operations, where the glass forming systems may be limited to lower waste loadings based on fissile or heat load limits. In the sludge batch 1b (SB1b) variability study, application of the homogeneity constraint at the measurement acceptability region (MAR) limit eliminated much of the potential operating window for DWPF. As a result, Edwards and Brown developed criteria that allowed DWPF to relax the homogeneity constraint from the MAR to the property acceptance region (PAR) criterion, which opened up the operating window for DWPF operations. These criteria are defined as: (1) use the alumina constraint as currently implemented in PCCS (Al 2 O 3 (ge) 3 wt%) and add a sum of alkali constraint with an upper limit of 19.3 wt% (ΣM 2 O 2 O 3 constraint to 4 wt% (Al 2 O 3 (ge) 4 wt%). Herman et al. previously demonstrated that these criteria could be used to replace the homogeneity constraint for future sludge-only batches. The compositional region encompassing coupled operations flowsheets could not be bounded as these flowsheets were unknown at the time. With the initiation of coupled operations at DWPF in 2008, the need to revisit the homogeneity constraint was realized. This constraint was specifically addressed through the variability study for SB5 where it was shown that the homogeneity constraint could be ignored if the alumina and alkali constraints were imposed. Additional benefit could be gained if the homogeneity constraint could be replaced by the Al 2 O 3 and sum of alkali constraint for future coupled operations processing based on projections from Revision 14 of

Microwave-to-optical frequency conversion with a Rydberg atom coupled to a coplanar waveguide

Science.gov (United States)

Gard, Bryan; Jacobs, Kurt; McDermott, Robert; Saffman, Mark

2017-04-01

A primary candidate for converting quantum information from microwave to optical frequencies is the use of Rydberg states of a single atom trapped near a surface. The fact that the Rydberg states possess both large electric dipole moments and microwave transition frequencies allows them to interact with superconducting mesoscopic circuits. By considering a concrete example, that of a Cesium atom, and using numerical search methods to optimize the control protocols, we determine the fidelities and transmission rates that could be achievable with such a device. We show that while protocols that exploit the adiabatic STIRAP mechanism provide the best raw transfer fidelities, the fastest communication speeds can be obtained by using heralding, which allows one to remove the adiabatic constraint. Support from Oak Ridge Associated Universities.

Transmission and capacity pricing and constraints

International Nuclear Information System (INIS)

Fusco, M.

1999-01-01

A series of overhead viewgraphs accompanied this presentation which discussed the following issues regarding the North American electric power industry: (1) capacity pricing transmission constraints, (2) nature of transmission constraints, (3) consequences of transmission constraints, and (4) prices as market evidence. Some solutions suggested for pricing constraints included the development of contingent contracts, back-up power in supply regions, and new line capacity construction. 8 tabs., 20 figs

Abstracts and abstracting a genre and set of skills for the twenty-first century

CERN Document Server

Koltay, Tibor

2010-01-01

Despite their changing role, abstracts remain useful in the digital world. Highly beneficial to information professionals and researchers who work and publish in different fields, this book summarizes the most important and up-to-date theory of abstracting, as well as giving advice and examples for the practice of writing different kinds of abstracts. The book discusses the length, the functions and basic structure of abstracts, outlining a new approach to informative and indicative abstracts. The abstractors' personality, their linguistic and non-linguistic knowledge and skills are also discu

Atomic scale study of grain boundary segregation before carbide nucleation in Ni–Cr–Fe Alloys

Energy Technology Data Exchange (ETDEWEB)

Li, Hui, E-mail: huili@shu.edu.cn [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Institute of Materials, Shanghai University, Shanghai 200072 (China); Xia, Shuang [Institute of Materials, Shanghai University, Shanghai 200072 (China); Liu, Wenqing [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Liu, Tingguang; Zhou, Bangxin [Institute of Materials, Shanghai University, Shanghai 200072 (China)

2013-08-15

Highlights: • Impurities segregated at grain boundaries were observed by atom probe tomography. • The comparison of segregation features in two Ni–Cr–Fe alloys was studied by APT. • C and Cr atoms co-segregated at grain boundaries before carbide precipitation. -- Abstract: Three dimensional chemical information concerning grain boundary segregation before carbide nucleation was characterized by atom probe tomography in two Ni–Cr–Fe alloys which were aged at 500 °C for 0.5 h after homogenizing treatment. B, C and Si atoms segregation at grain boundary in Alloy 690 was observed. B, C, N and P atoms segregation at grain boundary in 304 austenitic stainless steel was observed. C atoms co-segregation with Cr atoms at the grain boundaries both in Alloy 690 and 304 austenitic stainless steel was found, and its effect on the carbide nucleation was discussed. The amount of each segregated element at grain boundaries in the two Ni–Cr–Fe alloys were analyzed quantitatively. Comparison of the grain boundary segregation features of the two Ni–Cr–Fe alloys were carried out based on the experimental results.

Truthful Monadic Abstractions

DEFF Research Database (Denmark)

Brock-Nannestad, Taus; Schürmann, Carsten

2012-01-01

indefinitely, finding neither a proof nor a disproof of a given subgoal. In this paper we characterize a family of truth-preserving abstractions from intuitionistic first-order logic to the monadic fragment of classical first-order logic. Because they are truthful, these abstractions can be used to disprove...

Magnetism, microstructure and First Principles calculations of atomized and annealed Ni{sub 3}Al

Energy Technology Data Exchange (ETDEWEB)

García-Escorial, A., E-mail: age@cenim.csic.es [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Crespo, P.; Hernando, A. [Instituto de Magnetismo Aplicado, IMA-UCM, P.O. Box 155, 28230 Madrid (Spain); Lieblich, M. [CENIM-CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Marín, P.; Velasco, V. [Instituto de Magnetismo Aplicado, IMA-UCM, P.O. Box 155, 28230 Madrid (Spain); Ynduráin, F. [Dpto. de Física de la Materia Condensada, UAM, Cantoblanco, 28049 Madrid (Spain)

2014-12-05

Highlights: • The microstructure and order of as-atomized Ni{sub 3}Al powder change with annealing. • The change of the magnetic properties shows the influence of the chemical order. • First Principles calculations show the effect of the density of states to the order. - Abstract: In this work Ni{sub 3}Al powder particles obtained by atomization were characterized magnetically and microstructurally in as-atomized state and after annealing. Upon annealing the X-ray diffraction patterns show a noticeable increase of the signal of the ordered phase γ′-Ni{sub 3}Al, L1{sub 2}, phase and the microstructure evolves from a lamellar and dendrite to a large grain microstructure. The Curie temperature of the as-atomized powder particles is 85 K and decreases after annealing down to 50 K. First Principles calculations were carried out to correlate the experimental observations with local order of Ni and Al atoms and illustrate the importance of the local order in the density of states at the Fermi level, showing how the magnetic moment depends on the Ni and Al atomic position.

High Fidelity Simulation of Atomization in Diesel Engine Sprays

Science.gov (United States)

2015-09-01

state Figure 5. Q criterion isosurface colored by streamwise velocity in the diesel spray injector as viewed from the nozzle exit. Figure 6. U contour...fidelity simulation approach was adopted to study the atom- ization physics of a diesel injector with detailed nozzle internal geometry. The nozzle flow...26; Stanford, CA 14. ABSTRACT A high fidelity numerical simulation of jet breakup and spray formation from a complex diesel fuel injector has been

Speckle reduction in optical coherence tomography images based on wave atoms

Science.gov (United States)

Du, Yongzhao; Liu, Gangjun; Feng, Guoying; Chen, Zhongping

2014-01-01

Abstract. Optical coherence tomography (OCT) is an emerging noninvasive imaging technique, which is based on low-coherence interferometry. OCT images suffer from speckle noise, which reduces image contrast. A shrinkage filter based on wave atoms transform is proposed for speckle reduction in OCT images. Wave atoms transform is a new multiscale geometric analysis tool that offers sparser expansion and better representation for images containing oscillatory patterns and textures than other traditional transforms, such as wavelet and curvelet transforms. Cycle spinning-based technology is introduced to avoid visual artifacts, such as Gibbs-like phenomenon, and to develop a translation invariant wave atoms denoising scheme. The speckle suppression degree in the denoised images is controlled by an adjustable parameter that determines the threshold in the wave atoms domain. The experimental results show that the proposed method can effectively remove the speckle noise and improve the OCT image quality. The signal-to-noise ratio, contrast-to-noise ratio, average equivalent number of looks, and cross-correlation (XCOR) values are obtained, and the results are also compared with the wavelet and curvelet thresholding techniques. PMID:24825507

Evaluating Distributed Timing Constraints

DEFF Research Database (Denmark)

Kristensen, C.H.; Drejer, N.

1994-01-01

In this paper we describe a solution to the problem of implementing time-optimal evaluation of timing constraints in distributed real-time systems.......In this paper we describe a solution to the problem of implementing time-optimal evaluation of timing constraints in distributed real-time systems....

Thermomechanical constraints and constitutive formulations in thermoelasticity

Directory of Open Access Journals (Sweden)

Baek S.

2003-01-01

Full Text Available We investigate three classes of constraints in a thermoelastic body: (i a deformation-temperature constraint, (ii a deformation-entropy constraint, and (iii a deformation-energy constraint. These constraints are obtained as limits of unconstrained thermoelastic materials and we show that constraints (ii and (iii are equivalent. By using a limiting procedure, we show that for the constraint (i, the entropy plays the role of a Lagrange multiplier while for (ii and (iii, the absolute temperature plays the role of Lagrange multiplier. We further demonstrate that the governing equations for materials subject to constraint (i are identical to those of an unconstrained material whose internal energy is an affine function of the entropy, while those for materials subject to constraints (ii and (iii are identical to those of an unstrained material whose Helmholtz potential is affine in the absolute temperature. Finally, we model the thermoelastic response of a peroxide-cured vulcanizate of natural rubber and show that imposing the constraint in which the volume change depends only on the internal energy leads to very good predictions (compared to experimental results of the stress and temperature response under isothermal and isentropic conditions.

Atomization of volatile compounds for atomic absorption and atomic fluorescence spectrometry: On the way towards the ideal atomizer

International Nuclear Information System (INIS)

Dedina, Jiri

2007-01-01

This review summarizes and discusses the individual atomizers of volatile compounds. A set of criteria important for analytical praxis is used to rank all the currently existing approaches to the atomization based on on-line atomization for atomic absorption (AAS) and atomic fluorescence spectrometry (AFS) as well as on in-atomizer trapping for AAS. Regarding on-line atomization for AAS, conventional quartz tubes are currently the most commonly used devices. They provide high sensitivity and low baseline noise. Running and investment costs are low. The most serious disadvantage is the poor resistance against atomization interferences and often unsatisfactory linearity of calibration graphs. Miniature diffusion flame (MDF) is extremely resistant to interferences, simple, cheap and user-friendly. Its essential disadvantage is low sensitivity. A novel device, known as a multiatomizer, was designed to overcome disadvantages of previous atomizers. It matches performance of conventional quartz tubes in terms of sensitivity and baseline noise as well as in running and investment costs. The multiatomizer, however, provides much better (i) resistance against atomization interferences and (ii) linearity of calibration graphs. In-atomizer trapping enhances the sensitivity of the determination and eliminates the effect of the generation kinetics and of surges in gas flow on the signal shape. This is beneficial for the accuracy of the determination. It could also be an effective tool for reducing some interferences in the liquid phase. In-situ trapping in graphite furnaces (GF) is presently by far the most popular approach to the in-atomizer trapping. Its resistance against interferences is reasonably good and it can be easily automated. In-situ trapping in GF is a mature method well established in various application fields. These are the reasons to rank in-situ trapping in GF as currently the most convenient approach to hydride atomization for AAS. The recently suggested

Electrical characterization of grain boundaries of CZTS thin films using conductive atomic force microscopy techniques

Energy Technology Data Exchange (ETDEWEB)

Muhunthan, N.; Singh, Om Pal [Compound Semiconductor Solar Cell, Physics of Energy Harvesting Division, New Delhi 110012 (India); Toutam, Vijaykumar, E-mail: toutamvk@nplindia.org [Quantum Phenomena and Applications Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Singh, V.N., E-mail: singhvn@nplindia.org [Compound Semiconductor Solar Cell, Physics of Energy Harvesting Division, New Delhi 110012 (India)

2015-10-15

Graphical abstract: Experimental setup for conducting AFM (C-AFM). - Highlights: • Cu{sub 2}ZnSnS{sub 4} (CZTS) thin film was grown by reactive co-sputtering. • The electronic properties were probed using conducting atomic force microscope, scanning Kelvin probe microscopy and scanning capacitance microscopy. • C-AFM current flow mainly through grain boundaries rather than grain interiors. • SKPM indicated higher potential along the GBs compared to grain interiors. • The SCM explains that charge separation takes place at the interface of grain and grain boundary. - Abstract: Electrical characterization of grain boundaries (GB) of Cu-deficient CZTS (Copper Zinc Tin Sulfide) thin films was done using atomic force microscopic (AFM) techniques like Conductive atomic force microscopy (CAFM), Kelvin probe force microscopy (KPFM) and scanning capacitance microscopy (SCM). Absorbance spectroscopy was done for optical band gap calculations and Raman, XRD and EDS for structural and compositional characterization. Hall measurements were done for estimation of carrier mobility. CAFM and KPFM measurements showed that the currents flow mainly through grain boundaries (GB) rather than grain interiors. SCM results showed that charge separation mainly occurs at the interface of grain and grain boundaries and not all along the grain boundaries.

Advanced statistics to improve the physical interpretation of atomization processes

International Nuclear Information System (INIS)

Panão, Miguel R.O.; Radu, Lucian

2013-01-01

Highlights: ► Finite pdf mixtures improves physical interpretation of sprays. ► Bayesian approach using MCMC algorithm is used to find the best finite mixture. ► Statistical method identifies multiple droplet clusters in a spray. ► Multiple drop clusters eventually associated with multiple atomization mechanisms. ► Spray described by drop size distribution and not only its moments. -- Abstract: This paper reports an analysis of the physics of atomization processes using advanced statistical tools. Namely, finite mixtures of probability density functions, which best fitting is found using a Bayesian approach based on a Markov chain Monte Carlo (MCMC) algorithm. This approach takes into account eventual multimodality and heterogeneities in drop size distributions. Therefore, it provides information about the complete probability density function of multimodal drop size distributions and allows the identification of subgroups in the heterogeneous data. This allows improving the physical interpretation of atomization processes. Moreover, it also overcomes the limitations induced by analyzing the spray droplets characteristics through moments alone, particularly, the hindering of different natures of droplet formation. Finally, the method is applied to physically interpret a case-study based on multijet atomization processes

Constraints on long-range spin-gravity and monopole-dipole couplings of the proton

Science.gov (United States)

Jackson Kimball, Derek F.; Dudley, Jordan; Li, Yan; Patel, Dilan; Valdez, Julian

2017-10-01

Results of a search for a long-range monopole-dipole coupling between the mass of the Earth and rubidium (Rb) nuclear spins are reported. The experiment simultaneously measures the spin precession frequencies of overlapping ensembles of 85Rb and 87Rb atoms contained within an evacuated, antirelaxation-coated vapor cell. The nuclear structure of the Rb isotopes makes the experiment particularly sensitive to spin-dependent interactions of the proton. The spin-dependent component of the gravitational energy of the proton in the Earth's field is found to be smaller than 3 ×10-18 eV , improving laboratory constraints on long-range monopole-dipole interactions by over 3 orders of magnitude.

Machine tongues. X. Constraint languages

Energy Technology Data Exchange (ETDEWEB)

Levitt, D.

Constraint languages and programming environments will help the designer produce a lucid description of a problem domain, and then of particular situations and problems in it. Early versions of these languages were given descriptions of real world domain constraints, like the operation of electrical and mechanical parts. More recently, the author has automated a vocabulary for describing musical jazz phrases, using constraint language as a jazz improviser. General constraint languages will handle all of these domains. Once the model is in place, the system will connect built-in code fragments and algorithms to answer questions about situations; that is, to help solve problems. Bugs will surface not in code, but in designs themselves. 15 references.

Atomic collisions related to atomic laser isotope separation

International Nuclear Information System (INIS)

Shibata, Takemasa

1995-01-01

Atomic collisions are important in various places in atomic vapor laser isotope separation (AVLIS). At a vaporization zone, many atomic collisions due to high density have influence on the atomic beam characteristics such as velocity distribution and metastable states' populations at a separation zone. In the separation zone, a symmetric charge transfer between the produced ions and the neutral atoms may degrade selectivity. We have measured atomic excitation temperatures of atomic beams and symmetric charge transfer cross sections for gadolinium and neodymium. Gadolinium and neodymium are both lanthanides. Nevertheless, results for gadolinium and neodymium are very different. The gadolinium atom has one 5d electron and neodymium atom has no 5d electron. It is considered that the differences are due to existence of 5d electron. (author)

Photoionization of Rydberg hydrogen atom in a magnetic field

International Nuclear Information System (INIS)

Wang, Dehua; Cheng, Shaohao; Chen, Zhaohang

2015-01-01

Highlights: • The ionization of Rydberg hydrogen atom in a magnetic field has been studied. • Oscillatory structures appear in the electron probability density distributions. • This study can guide the experimental research on the photoionization microscopy. - Abstract: The ionization of Rydberg hydrogen atom in a magnetic field has been studied on the basis of a semiclassical analysis of photoionization microscopy. The photoionization microscopy interference patterns of the photoelectron probability density distribution on a given detector plane are calculated at different scaled energies. We find that due to the interference effect of different types of electron trajectories arrived at a given point on the detector plane, oscillatory structures appear in the electron probability density distributions. The oscillatory structure of the interference pattern, which contains the spatial component of the electronic wave function, evolves sensitively on the scaled energy, through which we gain a deep understanding on the probability density distribution of the electron wave function. This study provides some reference values for the future experiment research on the photoionization microscopy of the Rydberg atom in the presence of magnetic field

Study on Droplet Size and Velocity Distributions of a Pressure Swirl Atomizer Based on the Maximum Entropy Formalism

Directory of Open Access Journals (Sweden)

Kai Yan

2015-01-01

Full Text Available A predictive model for droplet size and velocity distributions of a pressure swirl atomizer has been proposed based on the maximum entropy formalism (MEF. The constraint conditions of the MEF model include the conservation laws of mass, momentum, and energy. The effects of liquid swirling strength, Weber number, gas-to-liquid axial velocity ratio and gas-to-liquid density ratio on the droplet size and velocity distributions of a pressure swirl atomizer are investigated. Results show that model based on maximum entropy formalism works well to predict droplet size and velocity distributions under different spray conditions. Liquid swirling strength, Weber number, gas-to-liquid axial velocity ratio and gas-to-liquid density ratio have different effects on droplet size and velocity distributions of a pressure swirl atomizer.

Improved Limits on Axionlike-Particle-Mediated P , T -Violating Interactions between Electrons and Nucleons from Electric Dipole Moments of Atoms and Molecules

Science.gov (United States)

Stadnik, Y. V.; Dzuba, V. A.; Flambaum, V. V.

2018-01-01

In the presence of P , T -violating interactions, the exchange of axionlike particles between electrons and nucleons in atoms and molecules induces electric dipole moments (EDMs) of atoms and molecules. We perform calculations of such axion-exchange-induced atomic EDMs using the relativistic Hartree-Fock-Dirac method including electron core polarization corrections. We present analytical estimates to explain the dependence of these induced atomic EDMs on the axion mass and atomic parameters. From the experimental bounds on the EDMs of atoms and molecules, including Cs 133 , Tl 205 , Xe 129 , Hg 199 , Yb 171 F 19 , Hf 180 F+ 19 , and Th 232 O 16 , we constrain the P , T -violating scalar-pseudoscalar nucleon-electron and electron-electron interactions mediated by a generic axionlike particle of arbitrary mass. Our limits improve on existing laboratory bounds from other experiments by many orders of magnitude for ma≳10-2 eV . We also place constraints on C P violation in certain types of relaxion models.

Abstract probabilistic CNOT gate model based on double encoding: study of the errors and physical realizability

Science.gov (United States)

Gueddana, Amor; Attia, Moez; Chatta, Rihab

2015-03-01

In this work, we study the error sources standing behind the non-perfect linear optical quantum components composing a non-deterministic quantum CNOT gate model, which performs the CNOT function with a success probability of 4/27 and uses a double encoding technique to represent photonic qubits at the control and the target. We generalize this model to an abstract probabilistic CNOT version and determine the realizability limits depending on a realistic range of the errors. Finally, we discuss physical constraints allowing the implementation of the Asymmetric Partially Polarizing Beam Splitter (APPBS), which is at the heart of correctly realizing the CNOT function.

Abstracts

Institute of Scientific and Technical Information of China (English)

2011-01-01

The Western Theories of War Ethics and Contemporary Controversies Li Xiaodong U Ruijing （4） [ Abstract] In the field of international relations, war ethics is a concept with distinct westem ideological color. Due to factors of history and reality, the in

Superradiators created atom by atom

Science.gov (United States)

Meschede, Dieter

2018-02-01

High radiation rates are usually associated with macroscopic lasers. Laser radiation is “coherent”—its amplitude and phase are well-defined—but its generation requires energy inputs to overcome loss. Excited atoms spontaneously emit in a random and incoherent fashion, and for N such atoms, the emission rate simply increases as N. However, if these atoms are in close proximity and coherently coupled by a radiation field, this microscopic ensemble acts as a single emitter whose emission rate increases as N2 and becomes “superradiant,” to use Dicke's terminology (1). On page 662 of this issue, Kim et al. (2) show the buildup of coherent light fields through collective emission from atomic radiators injected one by one into a resonator field. There is only one atom ever in the cavity, but the emission is still collective and superradiant. These results suggest another route toward thresholdless lasing.

Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulations.

Science.gov (United States)

König, Gerhard; Brooks, Bernard R

2015-05-01

Free energy simulations are an important tool in the arsenal of computational biophysics, allowing the calculation of thermodynamic properties of binding or enzymatic reactions. This paper introduces methods to increase the accuracy and precision of free energy calculations by calculating the free energy costs of constraints during post-processing. The primary purpose of employing constraints for these free energy methods is to increase the phase space overlap between ensembles, which is required for accuracy and convergence. The free energy costs of applying or removing constraints are calculated as additional explicit steps in the free energy cycle. The new techniques focus on hard degrees of freedom and use both gradients and Hessian estimation. Enthalpy, vibrational entropy, and Jacobian free energy terms are considered. We demonstrate the utility of this method with simple classical systems involving harmonic and anharmonic oscillators, four-atomic benchmark systems, an alchemical mutation of ethane to methanol, and free energy simulations between alanine and serine. The errors for the analytical test cases are all below 0.0007kcal/mol, and the accuracy of the free energy results of ethane to methanol is improved from 0.15 to 0.04kcal/mol. For the alanine to serine case, the phase space overlaps of the unconstrained simulations range between 0.15 and 0.9%. The introduction of constraints increases the overlap up to 2.05%. On average, the overlap increases by 94% relative to the unconstrained value and precision is doubled. The approach reduces errors arising from constraints by about an order of magnitude. Free energy simulations benefit from the use of constraints through enhanced convergence and higher precision. The primary utility of this approach is to calculate free energies for systems with disparate energy surfaces and bonded terms, especially in multi-scale molecular mechanics/quantum mechanics simulations. This article is part of a Special Issue

Spring meeting of the scientific associations for atomic physics, high speed physics, mass spectrometry, molecular physics, plasma physics

International Nuclear Information System (INIS)

1996-01-01

The volume contains the abstracts of the contributions to the Spring Meeting in Rostock with aspects of atomic physics, molecular physics, high speed physics, plasma physics and mass spectrometry. (MM)

A Logic Programming Based Approach to Applying Abstract Interpretation to Embedded Software

DEFF Research Database (Denmark)

Henriksen, Kim Steen

anvendt til at analysere programmer udviklet til indlejrede systemer. Et givet indlejret system modelleres som en emulator skrevet i en variant af logikprogrammering kaldet constraint logic programming (CLP). Emulatoren specialiseres med hensyn til et givet program, hvilket resulterer i et nyt program i...... programmeringsparadigme der har et solidt matematisk fundament. Et af dets karakteristika er adskillelsen af logik (betydningen af et program) og kontrol (hvordan programmet udføres), hvilket gør logikprogrammering til et meget anvendeligt sprog hvad angår programanalyse. I denne afhandling bliver logikprogrammering...... skrevet i sproget CLP der samtidig er isomorft med programmet skrevet til det indlejrede system. Anvendes abstract interpretation baserede analysatorer på det specialiserede program, kan resultater fra denne analyse direkte overføres til den indlejrede program, da dette program og den specialiserede...

New sources of cold atoms for atomic clocks

International Nuclear Information System (INIS)

Aucouturier, E.

1997-01-01

The purpose of this doctoral work is the realisation of new sources of cold cesium atoms that could be useful for the conception of a compact and high-performance atomic clock. It is based on experiences of atomic physics using light induced atomic manipulation. We present here the experiences of radiative cooling of atoms that have been realised at the Laboratoire de l'Horloge Atomique from 1993 to 1996. Firstly, we applied the techniques of radiative cooling and trapping of atoms in order to create a three-dimensional magneto-optical trap. For this first experience, we developed high quality laser sources, that were used for other experiments. We imagined a new configuration of trapping (two-dimensional magneto-optical trap) that was the basis for a cold atom source. This design gives the atoms a possibility to escape towards one particular direction. Then, we have extracted the atoms from this anisotropic trap in order to create a continuous beam of cold atoms. We have applied three methods of extraction. Firstly, the launching of atoms was performed by reducing the intensity of one of the cooling laser beams in the desired launching direction. Secondly, a frequency detuning between the two laser laser beams produced the launching of atoms by a so-called 'moving molasses'. The third method consisted in applying a static magnetic field that induced the launching of atoms in the direction of this magnetic field. At the same time, another research on cold atoms was initiated at the I.H.A. It consisted in cooling a large volume of atoms from a cell, using an isotropic light. This offers an interesting alternative to the traditional optical molasses. (author)

Robustness of tungsten single atom tips to thermal treatment and air exposure

Energy Technology Data Exchange (ETDEWEB)

Vesa, Cristian; Urban, Radovan [Department of Physics, University of Alberta, Edmonton, Alberta, Canada T6G 2G7 (Canada); National Institute for Nanotechnology, National Research Council of Canada, Edmonton, Alberta, Canada T6G 2M9 (Canada); Pitters, Jason L., E-mail: jason.pitters@nrc-cnrc.gc.ca [National Institute for Nanotechnology, National Research Council of Canada, Edmonton, Alberta, Canada T6G 2M9 (Canada); Wolkow, Robert A. [Department of Physics, University of Alberta, Edmonton, Alberta, Canada T6G 2G7 (Canada); National Institute for Nanotechnology, National Research Council of Canada, Edmonton, Alberta, Canada T6G 2M9 (Canada)

2014-05-01

Highlights: • W(1 1 1) single atom tips (SATs) were exposed to air. • SATs could be regenerated by field assisted chemical etching after exposure. • Warming procedures to minimize tip contamination were developed. • Degassing temperatures for air exposed tips were established. • Tip faceting occurred when SATs and unetched tips were annealed above 1200 °C. - Abstract: Experiments aimed at assessing the robustness of nitrogen-etched, single-atom tips (SATs) prepared using W(1 1 1) single crystal wire were performed. Our experiments showed that single-atoms tips sustain minimal damage when exposed to atmospheric conditions and can be readily and quickly nitrogen-etched to single-atom tips thereafter. The SATs can be annealed at temperatures up to 1100 °C with minimal shape changes. Moreover, annealing temperatures in excess of 1200 °C resulted in an apex faceting which may prove important in further single-atom tip creation. Procedures for warming of the SATs from operating temperatures of 80 K were also evaluated to determine conditions that limit tip contamination. These results show that SATS could be fabricated in a dedicated vacuum system and subsequently transferred to other instruments where they would undergo a brief conditioning procedure to recover the single-atom apex configuration prior to being subjected to operating conditions.

SASP. Contributions to the 13. Symposium on atomic and surface physics and related topics

Energy Technology Data Exchange (ETDEWEB)

Scheier, P; Maerk, T [eds.

2002-07-01

The XIII symposium on Atomic and Surface Physics and related Topics (SASP) is devoted to cover the research of interactions between ions, electrons, photons, atoms, molecules and clusters and their interaction with surfaces. This year there was a special session dedicated to proton transfer reaction mass spectrometry covering its applications in different fields and a mini symposium on the radiation action on bio-molecules such as uracil. The contributions included in the proceeding correspond to invited lectures and poster sessions, consisting of short and extended abstracts as well as short articles. (nevyjel)

SASP. Contributions to the 13. Symposium on atomic and surface physics and related topics

International Nuclear Information System (INIS)

Scheier, P.; Maerk, T.

2002-01-01

The XIII symposium on Atomic and Surface Physics and related Topics (SASP) is devoted to cover the research of interactions between ions, electrons, photons, atoms, molecules and clusters and their interaction with surfaces. This year there was a special session dedicated to proton transfer reaction mass spectrometry covering its applications in different fields and a mini symposium on the radiation action on bio-molecules such as uracil. The contributions included in the proceeding correspond to invited lectures and poster sessions, consisting of short and extended abstracts as well as short articles. (nevyjel)

Atomic mass determinations for 183W and 199Hg and the mercury problem

International Nuclear Information System (INIS)

Barillari, D.K.; Vaz, J.V.; Barber, R.C.; Sharma, K.S.

2003-01-01

Recent modifications to the 'Manitoba II' high resolution mass spectrometer are described. Mass differences among the members of the triplet 199 Hg - 183 W 16 O- 12 C 2 35 Cl 5 have been measured. These self-consistent mass differences give masses for 183 W and 199 Hg, as well as the mass difference across the W to Hg region of the mass table. These masses and the mass difference provide important constraints for the least squares atomic mass evaluation

Effect of exposure of parents to the atomic bombs on the first generation offspring in Hiroshima and Nagasaki: preliminary report. Studies on the potential genetic effects of the atomic bombs. Radiation and the sex ratio in man

Energy Technology Data Exchange (ETDEWEB)

Neel, J V; Morton, N E; Schull, W J; McDonald, D J; Kodani, M; Takeshima, K; Anderson, R C; Wood, J; Brewer, R; Wright, S

1959-01-01

This document contains 3 separate reports on studies of genetic radiation effects on survivors of the atomic explosions on Hiroshima and Nagasaki. Separate abstracts have been prepared for each report for inclusion in the Energy Database. (DMC)

Ant colony optimization and constraint programming

CERN Document Server

Solnon, Christine

2013-01-01

Ant colony optimization is a metaheuristic which has been successfully applied to a wide range of combinatorial optimization problems. The author describes this metaheuristic and studies its efficiency for solving some hard combinatorial problems, with a specific focus on constraint programming. The text is organized into three parts. The first part introduces constraint programming, which provides high level features to declaratively model problems by means of constraints. It describes the main existing approaches for solving constraint satisfaction problems, including complete tree search

Fast automated placement of polar hydrogen atoms in protein-ligand complexes

Directory of Open Access Journals (Sweden)

Lippert Tobias

2009-08-01

Full Text Available Abstract Background Hydrogen bonds play a major role in the stabilization of protein-ligand complexes. The ability of a functional group to form them depends on the position of its hydrogen atoms. An accurate knowledge of the positions of hydrogen atoms in proteins is therefore important to correctly identify hydrogen bonds and their properties. The high mobility of hydrogen atoms introduces several degrees of freedom: Tautomeric states, where a hydrogen atom alters its binding partner, torsional changes where the position of the hydrogen atom is rotated around the last heavy-atom bond in a residue, and protonation states, where the number of hydrogen atoms at a functional group may change. Also, side-chain flips in glutamine and asparagine and histidine residues, which are common crystallographic ambiguities must be identified before structure-based calculations can be conducted. Results We have implemented a method to determine the most probable hydrogen atom positions in a given protein-ligand complex. Optimality of hydrogen bond geometries is determined by an empirical scoring function which is used in molecular docking. This allows to evaluate protein-ligand interactions with an established model. Also, our method allows to resolve common crystallographic ambiguities such as as flipped amide groups and histidine residues. To ensure high speed, we make use of a dynamic programming approach. Conclusion Our results were checked against selected high-resolution structures from an external dataset, for which the positions of the hydrogen atoms have been validated manually. The quality of our results is comparable to that of other programs, with the advantage of being fast enough to be applied on-the-fly for interactive usage or during score evaluation.

Check Sample Abstracts.

Science.gov (United States)

Alter, David; Grenache, David G; Bosler, David S; Karcher, Raymond E; Nichols, James; Rajadhyaksha, Aparna; Camelo-Piragua, Sandra; Rauch, Carol; Huddleston, Brent J; Frank, Elizabeth L; Sluss, Patrick M; Lewandrowski, Kent; Eichhorn, John H; Hall, Janet E; Rahman, Saud S; McPherson, Richard A; Kiechle, Frederick L; Hammett-Stabler, Catherine; Pierce, Kristin A; Kloehn, Erica A; Thomas, Patricia A; Walts, Ann E; Madan, Rashna; Schlesinger, Kathie; Nawgiri, Ranjana; Bhutani, Manoop; Kanber, Yonca; Abati, Andrea; Atkins, Kristen A; Farrar, Robert; Gopez, Evelyn Valencerina; Jhala, Darshana; Griffin, Sonya; Jhala, Khushboo; Jhala, Nirag; Bentz, Joel S; Emerson, Lyska; Chadwick, Barbara E; Barroeta, Julieta E; Baloch, Zubair W; Collins, Brian T; Middleton, Owen L; Davis, Gregory G; Haden-Pinneri, Kathryn; Chu, Albert Y; Keylock, Joren B; Ramoso, Robert; Thoene, Cynthia A; Stewart, Donna; Pierce, Arand; Barry, Michelle; Aljinovic, Nika; Gardner, David L; Barry, Michelle; Shields, Lisa B E; Arnold, Jack; Stewart, Donna; Martin, Erica L; Rakow, Rex J; Paddock, Christopher; Zaki, Sherif R; Prahlow, Joseph A; Stewart, Donna; Shields, Lisa B E; Rolf, Cristin M; Falzon, Andrew L; Hudacki, Rachel; Mazzella, Fermina M; Bethel, Melissa; Zarrin-Khameh, Neda; Gresik, M Vicky; Gill, Ryan; Karlon, William; Etzell, Joan; Deftos, Michael; Karlon, William J; Etzell, Joan E; Wang, Endi; Lu, Chuanyi M; Manion, Elizabeth; Rosenthal, Nancy; Wang, Endi; Lu, Chuanyi M; Tang, Patrick; Petric, Martin; Schade, Andrew E; Hall, Geraldine S; Oethinger, Margret; Hall, Geraldine; Picton, Avis R; Hoang, Linda; Imperial, Miguel Ranoa; Kibsey, Pamela; Waites, Ken; Duffy, Lynn; Hall, Geraldine S; Salangsang, Jo-Anne M; Bravo, Lulette Tricia C; Oethinger, Margaret D; Veras, Emanuela; Silva, Elvia; Vicens, Jimena; Silva, Elvio; Keylock, Joren; Hempel, James; Rushing, Elizabeth; Posligua, Lorena E; Deavers, Michael T; Nash, Jason W; Basturk, Olca; Perle, Mary Ann; Greco, Alba; Lee, Peng; Maru, Dipen; Weydert, Jamie Allen; Stevens, Todd M; Brownlee, Noel A; Kemper, April E; Williams, H James; Oliverio, Brock J; Al-Agha, Osama M; Eskue, Kyle L; Newlands, Shawn D; Eltorky, Mahmoud A; Puri, Puja K; Royer, Michael C; Rush, Walter L; Tavora, Fabio; Galvin, Jeffrey R; Franks, Teri J; Carter, James Elliot; Kahn, Andrea Graciela; Lozada Muñoz, Luis R; Houghton, Dan; Land, Kevin J; Nester, Theresa; Gildea, Jacob; Lefkowitz, Jerry; Lacount, Rachel A; Thompson, Hannis W; Refaai, Majed A; Quillen, Karen; Lopez, Ana Ortega; Goldfinger, Dennis; Muram, Talia; Thompson, Hannis

2009-02-01

The following abstracts are compiled from Check Sample exercises published in 2008. These peer-reviewed case studies assist laboratory professionals with continuing medical education and are developed in the areas of clinical chemistry, cytopathology, forensic pathology, hematology, microbiology, surgical pathology, and transfusion medicine. Abstracts for all exercises published in the program will appear annually in AJCP.

Conference on atomic processes in high temperature plasmas: a topical conference of the American Physical Society Division of Plasma Physics

International Nuclear Information System (INIS)

1977-01-01

Abstracts are included for approximately 100 of the papers presented at the meeting. The following sessions were held at the conference: (1) electron ionization and excitation rates, (2) radiation from low density plasmas, (3) electron-ion cross sections and rates, (4) oscillator strengths and atomic structure, (5) spectroscopy and atomic structure, (6) astrophysical plasmas, (7) particle transport, (8) ion-atom cross sections and rates, (9) wall effects in laboratory plasmas, (10) spectroscopy and photoionization, and (11) radiation from high density plasmas

Nuclear power. Nuclear fuel cycle and waste management. 1990-2002. International Atomic Energy Agency publications

International Nuclear Information System (INIS)

2002-02-01

This document lists all sales publications of the International Atomic Energy Agency dealing with Nuclear Power, Nuclear Fuel Cycle and Waste Management, issued during the period 1990-2002. It gives a short abstract of these publications along with contents and their costs

Causality Constraints in Conformal Field Theory

CERN Multimedia

CERN. Geneva

2015-01-01

Causality places nontrivial constraints on QFT in Lorentzian signature, for example fixing the signs of certain terms in the low energy Lagrangian. In d-dimensional conformal field theory, we show how such constraints are encoded in crossing symmetry of Euclidean correlators, and derive analogous constraints directly from the conformal bootstrap (analytically). The bootstrap setup is a Lorentzian four-point function corresponding to propagation through a shockwave. Crossing symmetry fixes the signs of certain log terms that appear in the conformal block expansion, which constrains the interactions of low-lying operators. As an application, we use the bootstrap to rederive the well known sign constraint on the (∂φ)4 coupling in effective field theory, from a dual CFT. We also find constraints on theories with higher spin conserved currents. Our analysis is restricted to scalar correlators, but we argue that similar methods should also impose nontrivial constraints on the interactions of spinni...

Causality constraints in conformal field theory

Energy Technology Data Exchange (ETDEWEB)

Hartman, Thomas; Jain, Sachin; Kundu, Sandipan [Department of Physics, Cornell University,Ithaca, New York (United States)

2016-05-17

Causality places nontrivial constraints on QFT in Lorentzian signature, for example fixing the signs of certain terms in the low energy Lagrangian. In d dimensional conformal field theory, we show how such constraints are encoded in crossing symmetry of Euclidean correlators, and derive analogous constraints directly from the conformal bootstrap (analytically). The bootstrap setup is a Lorentzian four-point function corresponding to propagation through a shockwave. Crossing symmetry fixes the signs of certain log terms that appear in the conformal block expansion, which constrains the interactions of low-lying operators. As an application, we use the bootstrap to rederive the well known sign constraint on the (∂ϕ){sup 4} coupling in effective field theory, from a dual CFT. We also find constraints on theories with higher spin conserved currents. Our analysis is restricted to scalar correlators, but we argue that similar methods should also impose nontrivial constraints on the interactions of spinning operators.

Kinetics and mechanism of the gas-phase reaction of Cl atoms and OH radicals with fluorobenzene at 296 K

DEFF Research Database (Denmark)

Andersen, Mads Peter Sulbæk; Nielsen, Ole John; Hurley, MD

2002-01-01

Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms and OH radicals with fluorobenzene, C6H5F, in 700 Torr of N-2 or air diluent at 296 K. Reaction of Cl atoms with C6H5F proceeds via two pathways: H-atom abstraction to give HCl and the C6H4F...... with Cl atoms via a mechanism which, at least in part, leads neither to production of C6H5Cl nor to reformation of C6H5F. As the steady-state Cl atom concentration is increased, the fraction of the C6H5F-Cl adduct undergoing reaction with Cl atoms increases causing an increase in the effective rate...

Precision spectroscopy on atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Parthey, Christian Godehard

2011-12-15

This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as {delta}{integral}{sub exp}=670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, {delta}{integral}{sub th}=670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r{sup 2} right angle {sub d}- left angle r{sup 2} right angle {sub p}=3.82007(65) fm{sup 2} and the deuteron structure radius r{sub str}=1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be {integral}{sub 1S-2S}=2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10{sup -15}. The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of {integral}{sub 1S-2S}=2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c{sub (TX)}-0.29c{sub (TY)}-0.08 c{sub (TZ)}=(2.2{+-}1.8) x 10{sup -11} within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level ({partial_derivative})/({partial_derivative}t)ln ({mu}{sub Cs})/({mu}{sub B})=-(3.0{+-}1.2) x 10{sup -15} yr{sup -1}.

Abstract Datatypes in PVS

Science.gov (United States)

Owre, Sam; Shankar, Natarajan

1997-01-01

PVS (Prototype Verification System) is a general-purpose environment for developing specifications and proofs. This document deals primarily with the abstract datatype mechanism in PVS which generates theories containing axioms and definitions for a class of recursive datatypes. The concepts underlying the abstract datatype mechanism are illustrated using ordered binary trees as an example. Binary trees are described by a PVS abstract datatype that is parametric in its value type. The type of ordered binary trees is then presented as a subtype of binary trees where the ordering relation is also taken as a parameter. We define the operations of inserting an element into, and searching for an element in an ordered binary tree; the bulk of the report is devoted to PVS proofs of some useful properties of these operations. These proofs illustrate various approaches to proving properties of abstract datatype operations. They also describe the built-in capabilities of the PVS proof checker for simplifying abstract datatype expressions.

Atom interferometry with trapped Bose-Einstein condensates: impact of atom-atom interactions

International Nuclear Information System (INIS)

Grond, Julian; Hohenester, Ulrich; Mazets, Igor; Schmiedmayer, Joerg

2010-01-01

Interferometry with ultracold atoms promises the possibility of ultraprecise and ultrasensitive measurements in many fields of physics, and is the basis of our most precise atomic clocks. Key to a high sensitivity is the possibility to achieve long measurement times and precise readout. Ultracold atoms can be precisely manipulated at the quantum level and can be held for very long times in traps; they would therefore be an ideal setting for interferometry. In this paper, we discuss how the nonlinearities from atom-atom interactions, on the one hand, allow us to efficiently produce squeezed states for enhanced readout and, on the other hand, result in phase diffusion that limits the phase accumulation time. We find that low-dimensional geometries are favorable, with two-dimensional (2D) settings giving the smallest contribution of phase diffusion caused by atom-atom interactions. Even for time sequences generated by optimal control, the achievable minimal detectable interaction energy ΔE min is of the order of 10 -4 μ, where μ is the chemical potential of the Bose-Einstein condensate (BEC) in the trap. From these we have to conclude that for more precise measurements with atom interferometers, more sophisticated strategies, or turning off the interaction-induced dephasing during the phase accumulation stage, will be necessary.

Atom-atom collision cascades localization

International Nuclear Information System (INIS)

Kirsanov, V.V.

1980-01-01

The presence of an impurity and thermal vibration influence on the atom-atom collision cascade development is analysed by the computer simulation method (the modificated dynamic model). It is discovered that the relatively low energetic cascades are localized with the temperature increase of an irradiated crystal. On the basis of the given effect the mechanism of splitting of the high energetic cascades into subcascades is proposed. It accounts for two factors: the primary knocked atom energy and the irradiated crystal temperature. Introduction of an impurity also localizes the cascades independently from the impurity atom mass. The cascades localization leads to intensification of the process of annealing in the cascades and reduction of the post-cascade vacancy cluster sizes. (author)

Code ATOM for calculation of atomic characteristics

International Nuclear Information System (INIS)

Vainshtein, L.A.

1990-01-01

In applying atomic physics to problems of plasma diagnostics, it is necessary to determine some atomic characteristics, including energies and transition probabilities, for very many atoms and ions. Development of general codes for calculation of many types of atomic characteristics has been based on general but comparatively simple approximate methods. The program ATOM represents an attempt at effective use of such a general code. This report gives a brief description of the methods used, and the possibilities of and limitations to the code are discussed. Characteristics of the following processes can be calculated by ATOM: radiative transitions between discrete levels, radiative ionization and recombination, collisional excitation and ionization by electron impact, collisional excitation and ionization by point heavy particle (Born approximation only), dielectronic recombination, and autoionization. ATOM explores Born (for z=1) or Coulomb-Born (for z>1) approximations. In both cases exchange and normalization can be included. (N.K.)

Fuzzy Constraint-Based Agent Negotiation

Institute of Scientific and Technical Information of China (English)

Menq-Wen Lin; K. Robert Lai; Ting-Jung Yu

2005-01-01

Conflicts between two or more parties arise for various reasons and perspectives. Thus, resolution of conflicts frequently relies on some form of negotiation. This paper presents a general problem-solving framework for modeling multi-issue multilateral negotiation using fuzzy constraints. Agent negotiation is formulated as a distributed fuzzy constraint satisfaction problem (DFCSP). Fuzzy constrains are thus used to naturally represent each agent's desires involving imprecision and human conceptualization, particularly when lexical imprecision and subjective matters are concerned. On the other hand, based on fuzzy constraint-based problem-solving, our approach enables an agent not only to systematically relax fuzzy constraints to generate a proposal, but also to employ fuzzy similarity to select the alternative that is subject to its acceptability by the opponents. This task of problem-solving is to reach an agreement that benefits all agents with a high satisfaction degree of fuzzy constraints, and move towards the deal more quickly since their search focuses only on the feasible solution space. An application to multilateral negotiation of a travel planning is provided to demonstrate the usefulness and effectiveness of our framework.

Vortex-ring-fractal Structure of Atom and Molecule

International Nuclear Information System (INIS)

Osmera, Pavel

2010-01-01

This chapter is an attempt to attain a new and profound model of the nature's structure using a vortex-ring-fractal theory (VRFT). Scientists have been trying to explain some phenomena in Nature that have not been explained so far. The aim of this paper is the vortex-ring-fractal modeling of elements in the Mendeleev's periodic table, which is not in contradiction to the known laws of nature. We would like to find some acceptable structure model of the hydrogen as a vortex-fractal-coil structure of the proton and a vortex-fractal-ring structure of the electron. It is known that planetary model of the hydrogen atom is not right, the classical quantum model is too abstract. Our imagination is that the hydrogen is a levitation system of the proton and the electron. Structures of helium, oxygen, and carbon atoms and a hydrogen molecule are presented too.

Constraint-based scheduling

Science.gov (United States)

Zweben, Monte

1993-01-01

The GERRY scheduling system developed by NASA Ames with assistance from the Lockheed Space Operations Company, and the Lockheed Artificial Intelligence Center, uses a method called constraint-based iterative repair. Using this technique, one encodes both hard rules and preference criteria into data structures called constraints. GERRY repeatedly attempts to improve schedules by seeking repairs for violated constraints. The system provides a general scheduling framework which is being tested on two NASA applications. The larger of the two is the Space Shuttle Ground Processing problem which entails the scheduling of all the inspection, repair, and maintenance tasks required to prepare the orbiter for flight. The other application involves power allocation for the NASA Ames wind tunnels. Here the system will be used to schedule wind tunnel tests with the goal of minimizing power costs. In this paper, we describe the GERRY system and its application to the Space Shuttle problem. We also speculate as to how the system would be used for manufacturing, transportation, and military problems.

Adsorption of selenium atoms at the Si(1 1 1)-7 x 7 surface: A combination of scanning tunnelling microscopy and density functional theory studies

International Nuclear Information System (INIS)

Wu, S.Q.; Zhou Yinghui; Wu Qihui; Pakes, C.I.; Zhu Zizhong

2011-01-01

Graphical abstract: A selenium atom, which adsorbs at site close to a Si adatom and bonds with this Si adatom and one of its backbonding Si atoms on the Si(1 1 1)-7 x 7 surface, will break the Si-Si bond and consequently disorder the Si reconstruction surface. Research highlights: → STM and DFT are used to study the adsorption properties of Se atoms on a Si surface. → The adsorption site of Se atom on the Si surface has been identified. → The electronic effect of Se atom on the adsorbed Si surface has been ivestigaed. → The Se atom weakens the bond between two Si atom bonding with the Se atom. - Abstract: The adsorption of selenium (Se) atoms at the Si(1 1 1)-7 x 7 surface has been investigated using both scanning tunnelling microscopy (STM) and density functional theory calculations. A single Se atom prefers to adsorb at sites close to a Si adatom and bonds with this Si adatom and one of its backbonding Si atoms. The adsorption sites are referred to as A*-type sites in this article. The density of the conduction band (empty states) of the Si adatom increases as a result of the adsorption of a Se atom, which causes the Si adatom to become brighter in the empty state STM images. At the same time, the adsorption of the Se atom weakens the bonding between the Si adatom and its backbonding Si atom due to the charge transfer from them to the Se atom, and consequently destructs the ordered Si(1 1 1)-7 x 7 surface with increasing Se coverage.

Notes on Timed Concurrent Constraint Programming

DEFF Research Database (Denmark)

Nielsen, Mogens; Valencia, Frank D.

2004-01-01

and program reactive systems. This note provides a comprehensive introduction to the background for and central notions from the theory of tccp. Furthermore, it surveys recent results on a particular tccp calculus, ntcc, and it provides a classification of the expressive power of various tccp languages.......A constraint is a piece of (partial) information on the values of the variables of a system. Concurrent constraint programming (ccp) is a model of concurrency in which agents (also called processes) interact by telling and asking information (constraints) to and from a shared store (a constraint...

Abstracts of contributed papers. Sixth international conference on high-energy physics and nuclear structure, Santa Fe and Los Alamos, NM, June 9--14, 1975

International Nuclear Information System (INIS)

Mischke, R.; Hargrove, C.; Hoffman, C.

1975-08-01

Abstracts of contributed papers are assembled under the following headings (number denotes the number of abstracts in the section): pi p and pi d interactions (10); π nucleus theory (33); intermediate isobar calculations (8); π-nucleus interactions (25); stopping muons (44); exotic atoms and condensed nuclear states (28); nucleus-nucleus interactions (31); nuclear structure and hypernuclei (7); nucleon-nucleon interactions (24); e- and γ-nucleus interactions (29); weak interactions (17); high energy collisions (13); heavy ions (22); instrumentation (8). (SDF)

Determination of groundwater abstractions by means of GRACE data and Artificial Neural Networks

Science.gov (United States)

Gemitzi, Alexandra; Tsagkarakis, Konstantinos; Lakshmi, Venkat

2017-04-01

The EU Water Framework Directive requires for each groundwater body the determination of annual average rates of abstraction from all points providing more than 10m3 per day as well as groundwater level monitoring, so as to ensure that the available groundwater resource is not exceeded by the long-term annual average rate of abstraction. In order to acquire such information in situ observation networks are necessary. However, there are cases, e.g. Greece where WFD monitoring programme has not yet become operational due to bureaucratic, socioeconomic and often political constraints. The present study aims at determining groundwater use at the aquifer scale by using Gravity Recovery and Climate Experiment (GRACE) satellite data coupled with readily available meteorological data. Traditionally, GRACE data have been used at the global and regional scale due to their coarse resolution and the difficulties in disaggregating the various Total Water Storage (TWS) components. Previous works have evaluated the subsurface anomalies (ΔGW), using supplementary data sets and hydrologic modeling results in order to disaggregate GRACE TWS anomalies into their various components. Recent works however, have shown that changes in groundwater storage are dominating the GRACE Total Water Storage (TWS) changes, therefore it was though reasonable to use changes in Grace derived TWS in order to quantify abstractions from a groundwater body. Statistical downscaling was performed using an Artificial Neural Network in the form a Multilayer Perceptron model, in conjunction with local meteorological data. An ensemble of 100 ANNs provided a means of quantifying uncertainty and improving generalization. The methodology was applied in Rhodope area (NE Greece) and proved to be an efficient way of downscaling GRACE data in order to estimate the monthly quantity of water extracted from a certain aquifer. Although our methodology does not aim at estimating abstractions at single points, it manages

Atomic physics

International Nuclear Information System (INIS)

Armbruster, P.; Beyer, H.; Bosch, F.; Dohmann, H.D.; Kozhuharov, C.; Liesen, D.; Mann, R.; Mokler, P.H.

1984-01-01

The heavy ion accelerator UNILAC is well suited to experiments in the field of atomic physics because, with the aid of high-energy heavy ions atoms can be produced in exotic states - that is, heavy atoms with only a few electrons. Also, in close collisions of heavy ions (atomic number Z 1 ) and heavy target atoms (Z 2 ) short-lived quasi-atomic 'superheavy' systems will be formed - huge 'atoms', where the inner electrons are bound in the field of the combined charge Z 1 + Z 2 , which exceeds by far the charge of the known elements (Z <= 109). Those exotic or transient superheavy atoms delivered from the heavy ion accelerator make it possible to study for the first time in a terrestrial laboratory exotic, but fundamental, processes, which occur only inside stars. Some of the basic research carried out with the UNILAC is discussed. This includes investigation of highly charged heavy atoms with the beam-foil method, the spectroscopy of highly charged slow-recoil ions, atomic collision studies with highly ionised, decelerated ions and investigations of super-heavy quasi-atoms. (U.K.)

The constraints

International Nuclear Information System (INIS)

Jones, P.M.S.

1987-01-01

There are considerable incentives for the use of nuclear in preference to other sources for base load electricity generation in most of the developed world. These are economic, strategic, environmental and climatic. However, there are two potential constraints which could hinder the development of nuclear power to its full economic potential. These are public opinion and financial regulations which distort the nuclear economic advantage. The concerns of the anti-nuclear lobby are over safety, (especially following the Chernobyl accident), the management of radioactive waste, the potential effects of large scale exposure of the population to radiation and weapons proliferation. These are discussed. The financial constraint is over two factors, the availability of funds and the perception of cost, both of which are discussed. (U.K.)

Junior High School Students' Ideas about the Shape and Size of the Atom

Science.gov (United States)

Cokelez, Aytekin

2012-01-01

The concept of the atom is one of the building blocks of science education. Although the concept is a foundation for students' subsequent learning experiences, it is difficult for students to comprehend because of common misconceptions and its abstractness. The purpose of this study is to examine junior high school students' (ages 12-13) ideas…

Towards the atomic-scale characterization of isolated iron sites confined in a nitrogen-doped graphene matrix

Energy Technology Data Exchange (ETDEWEB)

Liu, Qingfei; Liu, Yun; Li, Haobo [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); University of Chinese Academy of Sciences, Beijing, 100039 (China); Li, Lulu [College of Chemistry, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, Dalian, 116023 (China); Deng, Dehui [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); Yang, Fan, E-mail: fyang@dicp.ac.cn [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); Bao, Xinhe, E-mail: xhbao@dicp.ac.cn [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China)

2017-07-15

Highlights: • Local atomic and electronic structure of the Fe-N-C catalyst characterized by STM and STS. • The combination of air-AFM, UHV-STM and DFT calculations for the characterization of powder catalysts. • The selection of solvent is vital to the homogeneous dispersion of powder catalyst on a planar support. - Abstract: Atomic scale characterization of the surface structure of powder catalysts is essential to the identification of active sites, but remains a major challenge in catalysis research. We described here a procedure that combines atomic force microscopy (AFM), operated in air, and scanning tunneling microscopy (STM), operated in UHV, to obtain the atomic structure and local electronic properties of powder catalysts. The atomically dispersed Fe-N-C catalyst was used as an example, which was synthesized by low temperature ball milling methods. We discussed the effect of solvents in the dispersion of powder catalysts on a planar support, which is key to the subsequent atomic characterization. From the morphology, atomic structure and local electronic properties of the Fe-N-C catalyst, our combined measurements also provide an insight for the effect of ball milling in the preparation of atomically dispersed metal catalysts.

Atomic structure and formation of CuZrAl bulk metallic glasses and composites

International Nuclear Information System (INIS)

Kaban, I.; Jóvári, P.; Escher, B.; Tran, D.T.; Svensson, G.; Webb, M.A.; Regier, T.Z.; Kokotin, V.; Beuneu, B.; Gemming, T.; Eckert, J.

2015-01-01

Graphical abstract: Partial radial distribution functions for Cu 47.5 Zr 47.5 Al 5 metallic glass and relevant crystal structures. - Abstract: Cu 47.5 Zr 47.5 Al 5 metallic glass is studied experimentally by high-energy X-ray diffraction, neutron diffraction with isotopic substitution, electron diffraction and X-ray absorption spectroscopy. The atomic structure of the glass is modeled by reverse Monte-Carlo and molecular dynamics simulations. RMC modeling of seven experimental datasets enabled reliable separation of all partial pair distribution functions for Cu 47.5 Zr 47.5 Al 5 metallic glass. A peculiar structural feature of the ternary alloy is formation of the strong Al–Zr bonds, which are supposed to determine its high viscosity and enhanced bulk glass formation. Analysis of the local atomic order in Cu 47.5 Zr 47.5 Al 5 glass and Cu 10 Zr 7 , CuZr 2 and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass.

Uncertainty Assessment for Theoretical Atomic and Molecular Scattering Data. Summary Report of a Joint IAEA-ITAMP Technical Meeting

International Nuclear Information System (INIS)

Chung, Hyun-Kyung; Bartschat, Klaus; Tennyson, Jonathan; Schultz, David R.

2014-10-01

This report summarizes the proceedings of the Joint IAEA-ITAMP Technical Meeting on “Uncertainty Assessment for Theoretical Atomic and Molecular Scattering Data” on 7-9 July 2014. Twenty-five participants from ten Member States and one from the IAEA attended the three-day meeting held at the Harvard-Smithsonian Center for Astrophysics in Cambridge, Massachusetts, USA and hosted by the Institute of Theoretical Atomic, Molecular and Optical Physics (ITAMP). The report includes discussions on the issues of uncertainty estimates for theoretical atomic and molecular scattering data. The abstracts of presentations presented in the meeting are attached in the Appendix. (author)

Self-consistent finite-temperature model of atom-laser coherence properties

International Nuclear Information System (INIS)

Fergusson, J.R.; Geddes, A.J.; Hutchinson, D.A.W.

2005-01-01

We present a mean-field model of a continuous-wave atom laser with Raman output coupling. The noncondensate is pumped at a fixed input rate which, in turn, pumps the condensate through a two-body scattering process obeying the Fermi golden rule. The gas is then coupled out by a Gaussian beam from the system, and the temperature and particle number are self-consistently evaluated against equilibrium constraints. We observe the dependence of the second-order coherence of the output upon the width of the output-coupling beam, and note that even in the presence of a highly coherent trapped gas, perfect coherence of the output matter wave is not guaranteed

Developmental constraints on behavioural flexibility.

Science.gov (United States)

Holekamp, Kay E; Swanson, Eli M; Van Meter, Page E

2013-05-19

We suggest that variation in mammalian behavioural flexibility not accounted for by current socioecological models may be explained in part by developmental constraints. From our own work, we provide examples of constraints affecting variation in behavioural flexibility, not only among individuals, but also among species and higher taxonomic units. We first implicate organizational maternal effects of androgens in shaping individual differences in aggressive behaviour emitted by female spotted hyaenas throughout the lifespan. We then compare carnivores and primates with respect to their locomotor and craniofacial adaptations. We inquire whether antagonistic selection pressures on the skull might impose differential functional constraints on evolvability of skulls and brains in these two orders, thus ultimately affecting behavioural flexibility in each group. We suggest that, even when carnivores and primates would theoretically benefit from the same adaptations with respect to behavioural flexibility, carnivores may nevertheless exhibit less behavioural flexibility than primates because of constraints imposed by past adaptations in the morphology of the limbs and skull. Phylogenetic analysis consistent with this idea suggests greater evolutionary lability in relative brain size within families of primates than carnivores. Thus, consideration of developmental constraints may help elucidate variation in mammalian behavioural flexibility.

Learning With Mixed Hard/Soft Pointwise Constraints.

Science.gov (United States)

Gnecco, Giorgio; Gori, Marco; Melacci, Stefano; Sanguineti, Marcello

2015-09-01

A learning paradigm is proposed and investigated, in which the classical framework of learning from examples is enhanced by the introduction of hard pointwise constraints, i.e., constraints imposed on a finite set of examples that cannot be violated. Such constraints arise, e.g., when requiring coherent decisions of classifiers acting on different views of the same pattern. The classical examples of supervised learning, which can be violated at the cost of some penalization (quantified by the choice of a suitable loss function) play the role of soft pointwise constraints. Constrained variational calculus is exploited to derive a representer theorem that provides a description of the functional structure of the optimal solution to the proposed learning paradigm. It is shown that such an optimal solution can be represented in terms of a set of support constraints, which generalize the concept of support vectors and open the doors to a novel learning paradigm, called support constraint machines. The general theory is applied to derive the representation of the optimal solution to the problem of learning from hard linear pointwise constraints combined with soft pointwise constraints induced by supervised examples. In some cases, closed-form optimal solutions are obtained.

Earth sciences: Uranium geology, exploration and mining, hydrology, 1986-1996. International Atomic Energy Agency publications

International Nuclear Information System (INIS)

1997-03-01

This catalogue lists all sales publications of the International Atomic Energy Agency dealing with earth sciences and issued during the period of 1986-1996. These topics are mainly in the field of uranium geology, exploration and mining, isotope applications in hydrology, IAEA Yearbook 1996 on the developments in nuclear science and technology and meetings on atomic energy. Proceedings of conferences, symposia and panels of experts may contain some papers in languages other than English but all of these papers have English abstracts. The prices of books are quoted in Austrian Schillings

Short-sale Constraints and Credit Runs

DEFF Research Database (Denmark)

Venter, Gyuri

), creditors with high private signals are more lenient to roll over debt, and a bank with lower asset quality remains solvent. This leads to higher allocative efficiency in the real economy. My result thus implies that the decrease in average informativeness due to short-sale constraints can be more than......This paper studies how short-sale constraints affect the informational efficiency of market prices and the link between prices and economic activity. I show that under short-sale constraints security prices contain less information. However, short-sale constraints increase the informativeness...... the price of an asset the bank holds. I show that short-selling constraints in the financial market lead to the revival of self-fulfilling beliefs about the beliefs and actions of others, and create multiple equilibria. In the equilibrium where agents rely more on public information (i.e., the price...

Atom optics

International Nuclear Information System (INIS)

Balykin, V. I.; Jhe, W.

1999-01-01

Atom optics, in analogy to neutron and electron optics, deals with the realization of as a traditional elements, such as lenes, mirrors, beam splitters and atom interferometers, as well as a new 'dissipative' elements such as a slower and a cooler, which have no analogy in an another types of optics. Atom optics made the development of atom interferometer with high sensitivity for measurement of acceleration and rotational possible. The practical interest in atom optics lies in the opportunities to create atom microprobe with atom-size resolution and minimum damage of investigated objects. (Cho, G. S.)

Self-scheduling and bidding strategies of thermal units with stochastic emission constraints

International Nuclear Information System (INIS)

Laia, R.; Pousinho, H.M.I.; Melíco, R.; Mendes, V.M.F.

2015-01-01

Highlights: • The management of thermal power plants is considered for different emission allowance levels. • The uncertainty on electricity price is considered by a set of scenarios. • A stochastic MILP approach allows devising the bidding strategies and hedging against price uncertainty and emission allowances. - Abstract: This paper is on the self-scheduling problem for a thermal power producer taking part in a pool-based electricity market as a price-taker, having bilateral contracts and emission-constrained. An approach based on stochastic mixed-integer linear programming approach is proposed for solving the self-scheduling problem. Uncertainty regarding electricity price is considered through a set of scenarios computed by simulation and scenario-reduction. Thermal units are modelled by variable costs, start-up costs and technical operating constraints, such as: forbidden operating zones, ramp up/down limits and minimum up/down time limits. A requirement on emission allowances to mitigate carbon footprint is modelled by a stochastic constraint. Supply functions for different emission allowance levels are accessed in order to establish the optimal bidding strategy. A case study is presented to illustrate the usefulness and the proficiency of the proposed approach in supporting biding strategies

Energy considerations in spraying process of a spill-return pressure-swirl atomizer

International Nuclear Information System (INIS)

Jedelsky, Jan; Jicha, Miroslav

2014-01-01

Graphical abstract: - Highlights: • We analyse energy conversion in simplex and spill-return pressure-swirl atomizer. • Inlet (pressure) energy converts into liquid motion with nozzle efficiency ∼58%. • Kinetic energy of developed spray at closed spill line is ∼33% of the inlet energy. • It consists of energy of droplets (∼2/3) and entrained air (1/3). • Atomization efficiency is <0.3%; it declines with inlet pressure and spill opening. - Abstract: The work focuses on energy conversion during the internal flow, discharge and formation of the spray from a pressure-swirl (PS) atomizer in the simplex as well as spill-return mode. Individual energy forms are described in general and assessed experimentally for a particular PS atomizer and light heating oil as a medium. The PS spray was observed at various loads to investigate the liquid breakup process and the spray characteristics. Spatially resolved diameters and droplet velocities, measured by means of phase-Doppler anemometry, served for estimation of the energy characteristics in the PS spray. The input energy given by the potential energy of the supplied liquid partially converts into the kinetic energy (KE) in the swirling ports with hydraulic loss in per cent scale. Most of the pressure drop is associated with rotational motion in the swirl chamber with total conversion efficiency at the exit orifice ∼58%. The rest of the input energy ends up as friction loss, leaving room for improvement. The overall value (ID 32 ) of the Sauter mean diameter of droplets in the spray, D 32 , varies with pressure drop Δp l powered to −0.1. The radial profiles of D 32 widen with the increase in spill/feed ratio (SFR), but the ID 32 remain almost constant within the studied SFR range. The spray KE at closed spill line covers the droplet KE (21–26%) and that of entrained air (10–13%), both moderately varying with Δp l . The specific KEs of both the liquid and air markedly drop down with the spill line

Hamiltonian constraint in polymer parametrized field theory

International Nuclear Information System (INIS)

Laddha, Alok; Varadarajan, Madhavan

2011-01-01

Recently, a generally covariant reformulation of two-dimensional flat spacetime free scalar field theory known as parametrized field theory was quantized using loop quantum gravity (LQG) type ''polymer'' representations. Physical states were constructed, without intermediate regularization structures, by averaging over the group of gauge transformations generated by the constraints, the constraint algebra being a Lie algebra. We consider classically equivalent combinations of these constraints corresponding to a diffeomorphism and a Hamiltonian constraint, which, as in gravity, define a Dirac algebra. Our treatment of the quantum constraints parallels that of LQG and obtains the following results, expected to be of use in the construction of the quantum dynamics of LQG: (i) the (triangulated) Hamiltonian constraint acts only on vertices, its construction involves some of the same ambiguities as in LQG and its action on diffeomorphism invariant states admits a continuum limit, (ii) if the regulating holonomies are in representations tailored to the edge labels of the state, all previously obtained physical states lie in the kernel of the Hamiltonian constraint, (iii) the commutator of two (density weight 1) Hamiltonian constraints as well as the operator correspondent of their classical Poisson bracket converge to zero in the continuum limit defined by diffeomorphism invariant states, and vanish on the Lewandowski-Marolf habitat, (iv) the rescaled density 2 Hamiltonian constraints and their commutator are ill-defined on the Lewandowski-Marolf habitat despite the well-definedness of the operator correspondent of their classical Poisson bracket there, (v) there is a new habitat which supports a nontrivial representation of the Poisson-Lie algebra of density 2 constraints.

Directed Atom-by-Atom Assembly of Dopants in Silicon.

Science.gov (United States)

Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

2018-05-17

The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.

Atomic weight versus atomic mass controversy

International Nuclear Information System (INIS)

Holden, N.E.

1985-01-01

A problem for the Atomic Weights Commission for the past decade has been the controversial battle over the names ''atomic weight'' and ''atomic mass''. The Commission has considered the arguments on both sides over the years and it appears that this meeting will see more of the same discussion taking place. In this paper, I review the situation and offer some alternatives

Constraint-based Word Segmentation for Chinese

DEFF Research Database (Denmark)

Christiansen, Henning; Bo, Li

2014-01-01

-hoc and statistically based methods. In this paper, we show experiments of implementing different approaches to CWSP in the framework of CHR Grammars [Christiansen, 2005] that provides a constraint solving approach to language analysis. CHR Grammars are based upon Constraint Handling Rules, CHR [Frühwirth, 1998, 2009......], which is a declarative, high-level programming language for specification and implementation of constraint solvers....

Development of a microlesson in teaching energy levels of atoms

Science.gov (United States)

Rodriguez, Cherilyn A.; Buan, Amelia T.

2018-01-01

Energy levels of atoms is one of the difficult topics in understanding atomic structure of matter. It appears tobe abstract, theoretical and needs visual representation and images. Hence, in this study a microlesson in teaching the high school chemistry concept on the energy levels of atoms is developed and validated. The researchers utilized backward curriculum design in planning the microlesson to meet the standards of the science K-12 curriculum. The planning process of the microlesson involved a) Identifying the learning competencies in K-12 science curriculum b) write learning objectives c) planning of assessment tools d) making a storyboard e) designing the microlesson and validate and revise the microlesson. The microlesson made use of varied resources in the internet from which the students accessed and collected information about energy levels of atoms. Working in groups, the students synthesized the information on how and why fireworks produce various colors of light through a post card. Findings of the study showed that there was an increase of achievement in learning the content and the students were highly motivated to learn chemistry. Furthermore, the students perceived that the microlesson helped them to understand the chemistry concept through the use of appropriate multimedia activities.

Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding

Directory of Open Access Journals (Sweden)

Finkelstein Alexei V

2007-07-01

Full Text Available Abstract Background The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even to keep a protein molecule in its native conformation in the course of molecular dynamics simulations or to bring an approximate, homology-based model of protein structure closer to its native conformation. Results A strict analysis shows that a specific coupling of multi-atom Van der Waals interactions with covalent bonding can, in extreme cases, increase (or decrease the interaction energy by about 20–40% at certain angles between the direction of interaction and the covalent bond. It is also shown that on average multi-body effects decrease the total Van der Waals energy in proportion to the square root of the electronic component of dielectric permittivity corresponding to dipole-dipole interactions at small distances, where Van der Waals interactions take place. Conclusion The study shows that currently-ignored multi-atom Van der Waals interactions can, in certain instances, lead to significant energy effects, comparable to those caused by the replacement of atoms (for instance, C by N in conventional pairwise Van der Waals interactions.

Angular momentum coupling in atom-atom collisions

International Nuclear Information System (INIS)

Grosser, J.

1986-01-01

The coupling between the electronic angular momentum and the rotating atom-atom axis in the initial or the final phase of an atom-atom collision is discussed, making use of the concepts of radial and rotational (Coriolis) coupling between different molecular states. The description is based on a limited number of well-understood approximations, and it allows an illustrative geometric representation of the transition from the body fixed to the space fixed motion of the electrons. (orig.)

Lifetime broadening of atomic lines produced upon ultrafast dissociation of HCl and HBr

Energy Technology Data Exchange (ETDEWEB)

Lablanquie, P., E-mail: pascal.lablanquie@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Iwayama, H. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Penent, F. [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Soejima, K. [Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan); Shigemasa, E. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan)

2014-08-15

Highlights: • Ultrafast dissociation of HCl is triggered by 2p{sub 3/2} → σ* excitation. • Ultrafast dissociation of HBr is triggered by 3d{sub 5/2} → σ* excitation. • Photoelectron spectroscopy reveals sharp vibrational molecular lines and broad atomic lines. • The profiles of the atomic lines are analyzed in detail. • We extract the lifetime of the inner shell hole in the neutral atomic fragment. - Abstract: Ultrafast dissociation of the HCl and HBr molecules excited respectively to the 2p{sub 3/2} → σ* and 3d{sub 5/2} → σ* resonances are studied with high resolution photoelectron spectroscopy. Sharp vibrational molecular lines and broad atomic lines are observed. The analysis of the profile of the atomic lines gives access to the lifetimes of the inner shell 2p{sub 3/2} hole in the Cl* (2p{sub 3/2}){sup −1} 3s{sup 2}3p{sup 6} configuration, and the inner shell 3d{sub 5/2} hole in the Br* (3d{sub 5/2}){sup −1} 4s{sup 2}4p{sup 6} configuration.

Trihydroborates and dihydroboranes bearing a pentacoordinated phosphorus atom: double ring expansion to balance the coordination states

Energy Technology Data Exchange (ETDEWEB)

Kano, Naokazu; O' Brien, Nathan J. [Department of Chemistry, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-0033 (Japan); Uematsu, Ryohei; Ramozzi, Romain; Morokuma, Keiji [Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyou-ku, Kyoto, 606-8103 (Japan)

2017-05-15

The first trihydroborate bearing a pentacoordinated phosphorus atom was synthesized as a new P-B bonded compound. Hydride abstraction of the trihydroborate gave an intermediary dihydroborane, which showed hydroboration reactivity and was trapped with pyridine whilst maintaining the P-B bond. The dihydroborane underwent a rearrangement, which involved a double ring expansion to compensate for the unbalanced coordination states of the phosphorus and boron atoms, to give a new fused bicyclic phosphine-boronate. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Trihydroborates and dihydroboranes bearing a pentacoordinated phosphorus atom: double ring expansion to balance the coordination states

International Nuclear Information System (INIS)

Kano, Naokazu; O'Brien, Nathan J.; Uematsu, Ryohei; Ramozzi, Romain; Morokuma, Keiji

2017-01-01

The first trihydroborate bearing a pentacoordinated phosphorus atom was synthesized as a new P-B bonded compound. Hydride abstraction of the trihydroborate gave an intermediary dihydroborane, which showed hydroboration reactivity and was trapped with pyridine whilst maintaining the P-B bond. The dihydroborane underwent a rearrangement, which involved a double ring expansion to compensate for the unbalanced coordination states of the phosphorus and boron atoms, to give a new fused bicyclic phosphine-boronate. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Assessment of thermal fatigue damage caused by local fluid temperature fluctuation (part I: characteristics of constraint and stress caused by thermal striation and stratification)

International Nuclear Information System (INIS)

Kamaya, Masayuki

2014-01-01

Highlights: • The source of the membrane constraint due to local temperature fluctuation was shown. • Thermal fatigue that occurred at a mixing tee and branched elbow was analyzed. • Cracking occurrence was reasonably explained by the constraint and stress conditions. - Abstract: This study was aimed at identifying the constraint conditions under local temperature fluctuation by thermal striping at a mixing tee and by thermal stratification at an elbow pipe branched from the main pipe. Numerical and analytical approaches were made to derive the thermal stress and its fluctuation. It was shown that an inhomogeneous temperature distribution in a straight pipe caused thermal stress due to a membrane constraint even if an external membrane constraint did not act on the pipe. Although the membrane constraint increased the mean stress at the mixing tee, it did not contribute to fluctuation of the thermal stress. On the other hand, the membrane constraint played an important role in the fatigue damage accumulation near the stratification layer of the branched elbow. Based on the constraint and stress conditions analyzed, the characteristics of the cracking observed in actual nuclear power plants were reasonably explained. Namely, at the mixing tee, where thermal crazing has been found, the lack of contribution of the membrane constraint to stress fluctuation caused a stress gradient in the thickness direction and arrested crack growth. On the other hand, at the branched elbow, where axial through-wall cracks have been found, the relatively large hoop stress fluctuation was brought about by movement of the stratified layer together with the membrane constraint even under a relatively low frequency of stress fluctuation

University Course Timetabling using Constraint Programming

Directory of Open Access Journals (Sweden)

Hadi Shahmoradi

2017-03-01

Full Text Available University course timetabling problem is a challenging and time-consuming task on the overall structure of timetable in every academic environment. The problem deals with many factors such as the number of lessons, classes, teachers, students and working time, and these are influenced by some hard and soft constraints. The aim of solving this problem is to assign courses and classes to teachers and students, so that the restrictions are held. In this paper, a constraint programming method is proposed to satisfy maximum constraints and expectation, in order to address university timetabling problem. For minimizing the penalty of soft constraints, a cost function is introduced and AHP method is used for calculating its coefficients. The proposed model is tested on department of management, University of Isfahan dataset using OPL on the IBM ILOG CPLEX Optimization Studio platform. A statistical analysis has been conducted and shows the performance of the proposed approach in satisfying all hard constraints and also the satisfying degree of the soft constraints is on maximum desirable level. The running time of the model is less than 20 minutes that is significantly better than the non-automated ones.

Research on the robust optimization of the enterprise's decision on the investment to the collaborative innovation: Under the risk constraints

International Nuclear Information System (INIS)

Zhou, Qing; Fang, Gang; Wang, Dong-peng; Yang, Wei

2016-01-01

Abstracts: The robust optimization model is applied to analyze the enterprise's decision of the investment portfolio for the collaborative innovation under the risk constraints. Through the mathematical model deduction and the simulation analysis, the research result shows that the enterprise's investment to the collaborative innovation has relatively obvious robust effect. As for the collaborative innovation, the return from the investment coexists with the risk of it. Under the risk constraints, the robust optimization method could solve the minimum risk as well as the proportion of each investment scheme in the portfolio on the condition of different target returns from the investment. On the basis of the result, the enterprise could balance between the investment return and risk and make optimal decision on the investment scheme.

Back-feed power restoration using distributed constraint optimization in smart distribution grids clustered into microgrids

International Nuclear Information System (INIS)

El-Sharafy, M. Zaki; Farag, Hany E.Z.

2017-01-01

Highlights: •Introducing three types of energy transfer between neighboring microgrids. •Incorporating droop-based power flow model of islanded microgrids in restoration. •Optimizing droop settings of DGs in islanded mode to maximize restored load. •Decomposing restoration into two distributed constraint optimization problems. •Using OPTAPO to solve the formulated problems in a multiagent environment. -- Abstract: In this paper, an optimization problem is formulated for the automatic back-feed service restoration in smart distribution grids. The formulated problem relies on the structure of smart distribution grids, clustered into multi-microgrids, capable of operating in both grid-connected and islanded modes of operation. To that end, three types of power transfer between the neighboring microgrids, during the restoration processes are introduced: load transfer, distributed generation (DG) transfer, and combined load–DG transfer. The formulated optimization problem takes into account the ability of forming new, not predefined islanded microgrids, in the post-restoration configuration, to maximize service restoration. To obviate the need for a central unit, the optimization problem is reformulated, in this work, as a distributed constraint optimization problem, in which the variables and constraints are distributed among automated agents. To reduce the problem complexity, the restoration problem is decomposed into two sequential and interdependent distributed sub-problems: supply adequacy, and optimal reconfiguration. The proposed algorithm adopts the Optimal Asynchronous Partial Overlay (OPTAPO) technique, which is based on the distributed constraint agent search to solve distributed sub-problems in a multi-agent environment. Several case studies have been carried out to evaluate the effectiveness and robustness of the proposed algorithm.

Psychological constraints on egalitarianism

DEFF Research Database (Denmark)

Kasperbauer, Tyler Joshua

2015-01-01

processes motivating people to resist various aspects of egalitarianism. I argue for two theses, one normative and one descriptive. The normative thesis holds that egalitarians must take psychological constraints into account when constructing egalitarian ideals. I draw from non-ideal theories in political...... philosophy, which aim to construct moral goals with current social and political constraints in mind, to argue that human psychology must be part of a non-ideal theory of egalitarianism. The descriptive thesis holds that the most fundamental psychological challenge to egalitarian ideals comes from what......Debates over egalitarianism for the most part are not concerned with constraints on achieving an egalitarian society, beyond discussions of the deficiencies of egalitarian theory itself. This paper looks beyond objections to egalitarianism as such and investigates the relevant psychological...

X-ray photoelectron spectroscopy study of the functionalization of carbon metal-containing nanotubes with phosphorus atoms

International Nuclear Information System (INIS)

Shabanova, I.N.; Terebova, N.S.

2013-01-01

Highlights: •Carbon metal-containing nanotubes (Me–Cu, Ni, Fe) were functionalized with chemical groups containing different concentrations of phosphorous. •The C1s and Me3s spectra were measured by the X-ray photoelectron spectroscopy method. •The values of the atomic magnetic moment of the carbon metal-containing nanotubes were determined. -- Abstract: In the present paper, carbon metal-containing (Me: Cu, Ni, Fe) nanotubes functionalized with phosphorus atoms (ammonium polyphosphate) were studied by X-ray photoelectron spectroscopy (XPS) on an X-ray electron magnetic spectrometer. It is found that the functionalization leads to the change of the metal atomic magnetic moment, i.e. the value of the atomic magnetic moment in the functionalized carbon metal-containing (Cu, Ni, Fe) nanotubes increases and is higher than that in pristine nanotubes. It is shown that the covalent bond of Me and P atoms is formed. This leads to an increase in the activity of the nanostructure surface which is necessary for the modification of materials

Constraint Programming for Context Comprehension

DEFF Research Database (Denmark)

Christiansen, Henning

2014-01-01

A close similarity is demonstrated between context comprehension, such as discourse analysis, and constraint programming. The constraint store takes the role of a growing knowledge base learned throughout the discourse, and a suitable con- straint solver does the job of incorporating new pieces...

A novel optimization algorithm based on epsilon constraint-RBF neural network for tuning PID controller in decoupled HVAC system

International Nuclear Information System (INIS)

Attaran, Seyed Mohammad; Yusof, Rubiyah; Selamat, Hazlina

2016-01-01

Highlights: • Decoupling of a heating, ventilation, and air conditioning system is presented. • RBF models were identified by Epsilon constraint method for temperature and humidity. • Control settings derived from optimization of the decoupled model. • Epsilon constraint-RBF based on PID controller was implemented to keep thermal comfort and minimize energy. • Enhancements of controller parameters of the HVAC system are desired. - Abstract: The energy efficiency of a heating, ventilating and air conditioning (HVAC) system optimized using a radial basis function neural network (RBFNN) combined with the epsilon constraint (EC) method is reported. The new method adopts the advanced algorithm of RBFNN for the HVAC system to estimate the residual errors, increase the control signal and reduce the error results. The objective of this study is to develop and simulate the EC-RBFNN for a self tuning PID controller for a decoupled bilinear HVAC system to control the temperature and relative humidity (RH) produced by the system. A case study indicates that the EC-RBFNN algorithm has a much better accuracy than optimization PID itself and PID-RBFNN, respectively.

Completeness of Lyapunov Abstraction

DEFF Research Database (Denmark)

Wisniewski, Rafal; Sloth, Christoffer

2013-01-01

the vector field, which allows the generation of a complete abstraction. To compute the functions that define the subdivision of the state space in an algorithm, we formulate a sum of squares optimization problem. This optimization problem finds the best subdivisioning functions, with respect to the ability......This paper addresses the generation of complete abstractions of polynomial dynamical systems by timed automata. For the proposed abstraction, the state space is divided into cells by sublevel sets of functions. We identify a relation between these functions and their directional derivatives along...

A constraint-based model of Scheffersomyces stipitis for improved ethanol production

Directory of Open Access Journals (Sweden)

Liu Ting

2012-09-01

Full Text Available Abstract Background As one of the best xylose utilization microorganisms, Scheffersomyces stipitis exhibits great potential for the efficient lignocellulosic biomass fermentation. Therefore, a comprehensive understanding of its unique physiological and metabolic characteristics is required to further improve its performance on cellulosic ethanol production. Results A constraint-based genome-scale metabolic model for S. stipitis CBS 6054 was developed on the basis of its genomic, transcriptomic and literature information. The model iTL885 consists of 885 genes, 870 metabolites, and 1240 reactions. During the reconstruction process, 36 putative sugar transporters were reannotated and the metabolisms of 7 sugars were illuminated. Essentiality study was conducted to predict essential genes on different growth media. Key factors affecting cell growth and ethanol formation were investigated by the use of constraint-based analysis. Furthermore, the uptake systems and metabolic routes of xylose were elucidated, and the optimization strategies for the overproduction of ethanol were proposed from both genetic and environmental perspectives. Conclusions Systems biology modelling has proven to be a powerful tool for targeting metabolic changes. Thus, this systematic investigation of the metabolism of S. stipitis could be used as a starting point for future experiment designs aimed at identifying the metabolic bottlenecks of this important yeast.

Some cosmological constraints on gauge theories

International Nuclear Information System (INIS)

Schramm, D.N.

1983-01-01

In these lectures, a review is made of various constraints cosmology may place on gauge theories. Particular emphasis is placed on those constraints obtainable from Big Bang Nucleosynthesis, with only brief mention made of Big Bang Baryosynthesis. There is also a considerable discussion of astrophysical constraints on masses and lifetimes of neutrinos with specific mention of the 'missing mass (light)' problem of galactic dynamics. (orig./HSI)

Influences of H on the Adsorption of a Single Ag Atom on Si(111-7 × 7 Surface

Directory of Open Access Journals (Sweden)

Lin Xiu-Zhu

2009-01-01

Full Text Available Abstract The adsorption of a single Ag atom on both clear Si(111-7 × 7 and 19 hydrogen terminated Si(111-7 × 7 (hereafter referred as 19H-Si(111-7 × 7 surfaces has been investigated using first-principles calculations. The results indicated that the pre-adsorbed H on Si surface altered the surface electronic properties of Si and influenced the adsorption properties of Ag atom on the H terminated Si surface (e.g., adsorption site and bonding properties. Difference charge density data indicated that covalent bond is formed between adsorbed Ag and H atoms on 19H-Si(111-7 × 7 surface, which increases the adsorption energy of Ag atom on Si surface.

Metaphor: Bridging embodiment to abstraction.

Science.gov (United States)

Jamrozik, Anja; McQuire, Marguerite; Cardillo, Eileen R; Chatterjee, Anjan

2016-08-01

Embodied cognition accounts posit that concepts are grounded in our sensory and motor systems. An important challenge for these accounts is explaining how abstract concepts, which do not directly call upon sensory or motor information, can be informed by experience. We propose that metaphor is one important vehicle guiding the development and use of abstract concepts. Metaphors allow us to draw on concrete, familiar domains to acquire and reason about abstract concepts. Additionally, repeated metaphoric use drawing on particular aspects of concrete experience can result in the development of new abstract representations. These abstractions, which are derived from embodied experience but lack much of the sensorimotor information associated with it, can then be flexibly applied to understand new situations.

Technical abstracts: Mechanical engineering, 1990

International Nuclear Information System (INIS)

Broesius, J.Y.

1991-01-01

This document is a compilation of the published, unclassified abstracts produced by mechanical engineers at Lawrence Livermore National Laboratory (LLNL) during the calendar year 1990. Many abstracts summarize work completed and published in report form. These are UCRL-JC series documents, which include the full text of articles to be published in journals and of papers to be presented at meetings, and UCID reports, which are informal documents. Not all UCIDs contain abstracts: short summaries were generated when abstracts were not included. Technical Abstracts also provides descriptions of those documents assigned to the UCRL-MI (miscellaneous) category. These are generally viewgraphs or photographs presented at meetings. An author index is provided at the back of this volume for cross referencing

Dynamics and causality constraints

International Nuclear Information System (INIS)

Sousa, Manoelito M. de

2001-04-01

The physical meaning and the geometrical interpretation of causality implementation in classical field theories are discussed. Causality in field theory are kinematical constraints dynamically implemented via solutions of the field equation, but in a limit of zero-distance from the field sources part of these constraints carries a dynamical content that explains old problems of classical electrodynamics away with deep implications to the nature of physicals interactions. (author)

Atomic scale characterization of mismatched graphene layers

International Nuclear Information System (INIS)

Luican-Mayer, Adina; Li, Guohong; Andrei, Eva Y.

2017-01-01

Highlights: • Review of STM/STS of graphene with various degree of coupling. • Review of vertically twisted graphene with respect with each other. • Review of Landau levels in graphene layers weakly decoupled electronically. • Review of laterally twisted graphene forming grain boundaries. - Abstract: In the bourgeoning field of two dimensional layered materials and their atomically thin counterparts, it has been established that the electronic coupling between the layers of the material plays a key role in determining its properties [1,2]. We are just beginning to understand how each material is unique in that respect while working our way up to building new materials with functionalities enabled by interlayer interactions. In this review, we will focus on a system that despite its apparent simplicity possesses a wealth of intriguing physics: layers of graphene with various degree of coupling. The situations discussed here are graphene layers vertically twisted with respect with each other, weakly decoupled electronically and laterally twisted forming grain boundaries. We emphasize experiments that atomically resolve the electronic properties.

The triconnected abstraction of process models

OpenAIRE

Polyvyanyy, Artem; Smirnov, Sergey; Weske, Mathias

2009-01-01

Contents: Artem Polyvanny, Sergey Smirnow, and Mathias Weske The Triconnected Abstraction of Process Models 1 Introduction 2 Business Process Model Abstraction 3 Preliminaries 4 Triconnected Decomposition 4.1 Basic Approach for Process Component Discovery 4.2 SPQR-Tree Decomposition 4.3 SPQR-Tree Fragments in the Context of Process Models 5 Triconnected Abstraction 5.1 Abstraction Rules 5.2 Abstraction Algorithm 6 Related Work and Conclusions

Data assimilation with inequality constraints

Science.gov (United States)

Thacker, W. C.

If values of variables in a numerical model are limited to specified ranges, these restrictions should be enforced when data are assimilated. The simplest option is to assimilate without regard for constraints and then to correct any violations without worrying about additional corrections implied by correlated errors. This paper addresses the incorporation of inequality constraints into the standard variational framework of optimal interpolation with emphasis on our limited knowledge of the underlying probability distributions. Simple examples involving only two or three variables are used to illustrate graphically how active constraints can be treated as error-free data when background errors obey a truncated multi-normal distribution. Using Lagrange multipliers, the formalism is expanded to encompass the active constraints. Two algorithms are presented, both relying on a solution ignoring the inequality constraints to discover violations to be enforced. While explicitly enforcing a subset can, via correlations, correct the others, pragmatism based on our poor knowledge of the underlying probability distributions suggests the expedient of enforcing them all explicitly to avoid the computationally expensive task of determining the minimum active set. If additional violations are encountered with these solutions, the process can be repeated. Simple examples are used to illustrate the algorithms and to examine the nature of the corrections implied by correlated errors.

A Modal-Logic Based Graph Abstraction

NARCIS (Netherlands)

Bauer, J.; Boneva, I.B.; Kurban, M.E.; Rensink, Arend; Ehrig, H; Heckel, R.; Rozenberg, G.; Taentzer, G.

2008-01-01

Infinite or very large state spaces often prohibit the successful verification of graph transformation systems. Abstract graph transformation is an approach that tackles this problem by abstracting graphs to abstract graphs of bounded size and by lifting application of productions to abstract

Graphite Furnace Atomic Absorption Elemental Analysis of Ecstasy Tablets

OpenAIRE

French, Holly E.; Went, Michael J.; Gibson, Stuart J.

2013-01-01

Abstract: Six metals (Cu, Mg, Ba, Ni, Cr, Pb) were determined in two separate batches of seized ecstasy\\ud tablets by graphite furnace atomic absorption spectroscopy (GFAAS) following digestion with nitric\\ud acid and hydrogen peroxide. Large intra-batch variations were found as expected for tablets produced\\ud in clandestine laboratories. For example, nickel in batch 1 was present in the range 0.47-13.1 ppm and\\ud in batch 2 in the range 0.35-9.06 ppm. Although batch 1 had significantly high...

Molecular dynamics simulations on PGLa using NMR orientational constraints

Energy Technology Data Exchange (ETDEWEB)

Sternberg, Ulrich, E-mail: ulrich.sternberg@partner.kit.edu; Witter, Raiker [Tallinn University of Technology, Technomedicum (Estonia)

2015-11-15

NMR data obtained by solid state NMR from anisotropic samples are used as orientational constraints in molecular dynamics simulations for determining the structure and dynamics of the PGLa peptide within a membrane environment. For the simulation the recently developed molecular dynamics with orientational constraints technique (MDOC) is used. This method introduces orientation dependent pseudo-forces into the COSMOS-NMR force field. Acting during a molecular dynamics simulation these forces drive molecular rotations, re-orientations and folding in such a way that the motional time-averages of the tensorial NMR properties are consistent with the experimentally measured NMR parameters. This MDOC strategy does not depend on the initial choice of atomic coordinates, and is in principle suitable for any flexible and mobile kind of molecule; and it is of course possible to account for flexible parts of peptides or their side-chains. MDOC has been applied to the antimicrobial peptide PGLa and a related dimer model. With these simulations it was possible to reproduce most NMR parameters within the experimental error bounds. The alignment, conformation and order parameters of the membrane-bound molecule and its dimer were directly derived with MDOC from the NMR data. Furthermore, this new approach yielded for the first time the distribution of segmental orientations with respect to the membrane and the order parameter tensors of the dimer systems. It was demonstrated the deuterium splittings measured at the peptide to lipid ratio of 1/50 are consistent with a membrane spanning orientation of the peptide.

Use of dose constraints in public exposure

International Nuclear Information System (INIS)

Tageldein, Amged

2015-02-01

An overview of the dose constraints in public exposures has been carried out in this project. The establishment, development and the application of the concept of dose constraints are reviewed with regards to public exposure. The role of dose constraints in the process of optimization of radiation protection was described and has been showed that the concept of the dose constraints along with many other concept of radiation protection is widely applied in the optimization of exposure to radiation. From the beginning of the establishment of dose constraints as a concept in radiation protection, the International Commission of Radiological Protection (ICRP) has published a number of documents that provides detailed application related to radiation protection and safety of public exposure from ionizing radiation. This work provides an overview of such publications and related documents with special emphasis on optimization of public exposure using dose constraints. (au)

Seismic Consequence Abstraction

International Nuclear Information System (INIS)

Gross, M.

2004-01-01

The primary purpose of this model report is to develop abstractions for the response of engineered barrier system (EBS) components to seismic hazards at a geologic repository at Yucca Mountain, Nevada, and to define the methodology for using these abstractions in a seismic scenario class for the Total System Performance Assessment - License Application (TSPA-LA). A secondary purpose of this model report is to provide information for criticality studies related to seismic hazards. The seismic hazards addressed herein are vibratory ground motion, fault displacement, and rockfall due to ground motion. The EBS components are the drip shield, the waste package, and the fuel cladding. The requirements for development of the abstractions and the associated algorithms for the seismic scenario class are defined in ''Technical Work Plan For: Regulatory Integration Modeling of Drift Degradation, Waste Package and Drip Shield Vibratory Motion and Seismic Consequences'' (BSC 2004 [DIRS 171520]). The development of these abstractions will provide a more complete representation of flow into and transport from the EBS under disruptive events. The results from this development will also address portions of integrated subissue ENG2, Mechanical Disruption of Engineered Barriers, including the acceptance criteria for this subissue defined in Section 2.2.1.3.2.3 of the ''Yucca Mountain Review Plan, Final Report'' (NRC 2003 [DIRS 163274])

Seismic Consequence Abstraction

Energy Technology Data Exchange (ETDEWEB)

M. Gross

2004-10-25

The primary purpose of this model report is to develop abstractions for the response of engineered barrier system (EBS) components to seismic hazards at a geologic repository at Yucca Mountain, Nevada, and to define the methodology for using these abstractions in a seismic scenario class for the Total System Performance Assessment - License Application (TSPA-LA). A secondary purpose of this model report is to provide information for criticality studies related to seismic hazards. The seismic hazards addressed herein are vibratory ground motion, fault displacement, and rockfall due to ground motion. The EBS components are the drip shield, the waste package, and the fuel cladding. The requirements for development of the abstractions and the associated algorithms for the seismic scenario class are defined in ''Technical Work Plan For: Regulatory Integration Modeling of Drift Degradation, Waste Package and Drip Shield Vibratory Motion and Seismic Consequences'' (BSC 2004 [DIRS 171520]). The development of these abstractions will provide a more complete representation of flow into and transport from the EBS under disruptive events. The results from this development will also address portions of integrated subissue ENG2, Mechanical Disruption of Engineered Barriers, including the acceptance criteria for this subissue defined in Section 2.2.1.3.2.3 of the ''Yucca Mountain Review Plan, Final Report'' (NRC 2003 [DIRS 163274]).

Modal abstractions of concurrent behavior

DEFF Research Database (Denmark)

Nielson, Flemming; Nanz, Sebastian; Nielson, Hanne Riis

2011-01-01

We present an effective algorithm for the automatic construction of finite modal transition systems as abstractions of potentially infinite concurrent processes. Modal transition systems are recognized as valuable abstractions for model checking because they allow for the validation as well...... as refutation of safety and liveness properties. However, the algorithmic construction of finite abstractions from potentially infinite concurrent processes is a missing link that prevents their more widespread usage for model checking of concurrent systems. Our algorithm is a worklist algorithm using concepts...... from abstract interpretation and operating upon mappings from sets to intervals in order to express simultaneous over- and underapprox-imations of the multisets of process actions available in a particular state. We obtain a finite abstraction that is 3-valued in both states and transitions...

Sub-Angstrom Atomic-Resolution Imaging of Heavy Atoms to Light Atoms

Energy Technology Data Exchange (ETDEWEB)

O' Keefe, Michael A.; Shao-Horn, Yang

2003-05-23

Three decades ago John Cowley and his group at ASU achieved high-resolution electron microscope images showing the crystal unit cell contents at better than 4Angstrom resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with Cs-corrected lenses and monochromated electron beams.

Comparative Study of Temporal Aspects of Data Collection Using Remote Database vs. Abstract Database in WSN

Directory of Open Access Journals (Sweden)

Abderrahmen BELFKIH

2015-06-01

Full Text Available The real-time aspect is an important factor for Wireless Sensor Network (WSN applications, which demand a timely data delivery, to reflect the current state of the environment. However, most existing works in the field of sensor networks are only interested in data processing and energy consumption, to improve the lifetime of WSN. Extensive researches have been done on data processing in WSN. Some works have been interested in improving data collection methods, and others have focused on various query processing techniques. In recent years, the query processing using abstract database technology like Cougar and TinyDB has shown efficient results in many researches. This paper presents a study of timing properties through two data processing techniques for WSN. The first is based on a warehousing approach, in which data are collected and stored on a remote database. The second is based on query processing using an abstract database like TinyDB. This study has allowed us to identify some factors which enhance the respect of temporal constraints.

Atomic absorption spectrometry using tungsten and molybdenum tubes as metal atomizer

International Nuclear Information System (INIS)

Kaneco, Satoshi; Katsumata, Hideyuki; Ohta, Kiyohisa; Suzuki, Tohru

2007-01-01

We have developed a metal tube atomizer for the electrothermal atomization atomic absorption spectrometry (ETA-AAS). Tungsten, molybdenum, platinum tube atomizers were used as the metal atomizer for ETA-AAS. The atomization characteristics of various metals using these metal tube atomizers were investigated. The effects of heating rate of atomizer, atomization temperature, pyrolysis temperature, argon purge gas flow rate and hydrogen addition on the atomic absorption signal were investigated for the evaluation of atomization characteristics. Moreover, ETA-AAS with metal tube atomizer has been combined with the slurry-sampling techniques. Ultrasonic slurry-sampling ETA-AAS with metal tube atomizer were effective for the determination of trace metal elements in biological materials, calcium drug samples, herbal medicine samples, vegetable samples and fish samples. Furthermore, a preconcentration method of trace metals involving adsorption on a metal wire has been applied to ETA-AAS with metal tube atomizer. (author)

A general treatment of dynamic integrity constraints

NARCIS (Netherlands)

de Brock, EO

This paper introduces a general, set-theoretic model for expressing dynamic integrity constraints, i.e., integrity constraints on the state changes that are allowed in a given state space. In a managerial context, such dynamic integrity constraints can be seen as representations of "real world"

Firehose constraints of the bi-Kappa-distributed electrons: a zero-order approach for the suprathermal electrons in the solar wind

Czech Academy of Sciences Publication Activity Database

Lazar, M.; Shaaban, S. M.; Poedts, S.; Štverák, Štěpán

2017-01-01

Roč. 464, č. 1 (2017), s. 564-571 ISSN 0035-8711 Institutional support: RVO:68378289 Keywords : instabilities * plasmas * methods * analytical * methods: observational * solar wind Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 4.961, year: 2016 https://academic.oup.com/mnras/article-abstract/464/1/564/2236068/Firehose-constraints-of-the-bi-Kappa-distributed?redirectedFrom=fulltext

Atom chips: mesoscopic physics with cold atoms

International Nuclear Information System (INIS)

Krueger, P.; Wildermuth, S.; Hofferberth, S.; Haller, E.; GAllego Garcia, D.; Schmiedmayer, J.

2005-01-01

Full text: Cold neutral atoms can be controlled and manipulated in microscopic potentials near surfaces of atom chips. These integrated micro-devices combine the known techniques of atom optics with the capabilities of well established micro- and nanofabrication technology. In analogy to electronic microchips and integrated fiber optics, the concept of atom chips is suitable to explore the domain of mesoscopic physics with matter waves. We use current and charge carrying structures to form complex potentials with high spatial resolution only microns from the surface. In particular, atoms can be confined to an essentially one-dimensional motion. In this talk, we will give an overview of our experiments studying the manipulation of both thermal atoms and BECs on atom chips. First experiments in the quasi one-dimensional regime will be presented. These experiments profit from strongly reduced residual disorder potentials caused by imperfections of the chip fabrication with respect to previously published experiments. This is due to our purely lithographic fabrication technique that proves to be advantageous over electroplating. We have used one dimensionally confined BECs as an ultra-sensitive probe to characterize these potentials. These smooth potentials allow us to explore various aspects of the physics of degenerate quantum gases in low dimensions. (author)

First-principles simulations on the new hybrid phases of germanene with alkali metal atoms coverage

Energy Technology Data Exchange (ETDEWEB)

Yuan, Jianmei [Hunan Key Laboratory for Computation and Simulation in Science and Engineering, School of Mathematics and Computational Science, Xiangtan University, Hunan 411105 (China); Tang, Chan; Zhong, Jianxin [Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan 411105 (China); Mao, Yuliang, E-mail: ylmao@xtu.edu.cn [Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan 411105 (China)

2016-01-01

Graphical abstract: - Highlights: • The predicted new phase of complete lithiated germanene is more favorable to form than germanane. • Besides ionic interactions, covalent component in some extent leads the complete lithiated germanene into a semiconductor. • 2D phases of Ge{sub 2}X{sub 1} (X = Li, Na, K) are metallic with weak polarization. • Half-lithiated germanene exhibits local magnetic moments on the Ge atoms neighbored with Li adatoms. - Abstract: We present first-principles calculations of a new type hybrid phases composed by buckled germanene with saturated or half-saturated alkali metal atoms adsorption. Our energetics and electronic structure analysis suggests that adsorbed alkali metal atoms (Li, Na, K) can be used as covered adatoms to synthesize germanene-based new phases in two dimensional. The predicted new phases of Ge{sub 2}X{sub 2} and Ge{sub 2}X{sub 1} (X = Li, Na, K) relative to the single germanene sheet could exist at room temperature. The formation energy of Ge{sub 2}Li{sub 2} configuration obtained from complete lithiation is even more favorable than that of germanane. Charge transfer is significant between the alkali metal atoms and Ge, indicating the ionic interactions between them. Furthermore, our charge density analysis indicates that covalent component in some extent exists in Ge{sub 2}X{sub 2} and Ge{sub 2}X{sub 1} (X = Li, Na, K) 2D phases, which even leads the complete lithiated germanene into a semiconductor with an energy gap of 0.14 eV. We report that 2D phases of Ge{sub 2}X{sub 1} (X = Li, Na, K) are metallic with weak polarization on the Fermi level and in unoccupied states. It is found that half-lithiated germanene exhibits local magnetic moments of 0.48 μ{sub B} on the Ge atoms neighbored with Li adatoms.

An Introduction to 'Creativity Constraints'

DEFF Research Database (Denmark)

Onarheim, Balder; Biskjær, Michael Mose

2013-01-01

Constraints play a vital role as both restrainers and enablers in innovation processes by governing what the creative agent/s can and cannot do, and what the output can and cannot be. Notions of constraints are common in creativity research, but current contributions are highly dispersed due to n...

Market segmentation using perceived constraints

Science.gov (United States)

Jinhee Jun; Gerard Kyle; Andrew Mowen

2008-01-01

We examined the practical utility of segmenting potential visitors to Cleveland Metroparks using their constraint profiles. Our analysis identified three segments based on their scores on the dimensions of constraints: Other priorities--visitors who scored the highest on 'other priorities' dimension; Highly Constrained--visitors who scored relatively high on...

Absorption imaging of ultracold atoms on atom chips

DEFF Research Database (Denmark)

Smith, David A.; Aigner, Simon; Hofferberth, Sebastian

2011-01-01

Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is purposely reflected from the surface. In particular we present...... methods to measure the atom-surface distance, which is a prerequisite for magnetic field imaging and studies of atom surface-interactions....

The deleuzian abstract machines

DEFF Research Database (Denmark)

Werner Petersen, Erik

2005-01-01

To most people the concept of abstract machines is connected to the name of Alan Turing and the development of the modern computer. The Turing machine is universal, axiomatic and symbolic (E.g. operating on symbols). Inspired by Foucault, Deleuze and Guattari extended the concept of abstract...

Typesafe Abstractions for Tensor Operations

OpenAIRE

Chen, Tongfei

2017-01-01

We propose a typesafe abstraction to tensors (i.e. multidimensional arrays) exploiting the type-level programming capabilities of Scala through heterogeneous lists (HList), and showcase typesafe abstractions of common tensor operations and various neural layers such as convolution or recurrent neural networks. This abstraction could lay the foundation of future typesafe deep learning frameworks that runs on Scala/JVM.

Role of atom--atom inelastic collisions in two-temperature nonequilibrium plasmas

International Nuclear Information System (INIS)

Kunc, J.A.

1987-01-01

The contribution of inelastic atom--atom collisions to the production of electrons and excited atoms in two-temperature (with electron temperature T/sub e/, atomic temperature T/sub a/, and atomic density N/sub a/), steady-state, nonequilibrium atomic hydrogen plasma is investigated. The results are valid for plasmas having large amounts of atomic hydrogen as one of the plasma components, so that e--H and H--H inelastic collisions and interaction of these atoms with radiation dominate the production of electrons and excited hydrogen atoms. Densities of electrons and excited atoms are calculated in low-temperature plasma, with T/sub e/ and T/sub a/≤8000 K and 10 16 cm -3 ≤N/sub a/≤10 18 cm -3 , and with different degrees of the reabsorption of radiation. The results indicate that inelastic atom--atom collisions are important for production of electrons and excited atoms in partially ionized plasmas with medium and high atomic density and temperatures below 8000 K

Constraint Handling Rules with Binders, Patterns and Generic Quantification

NARCIS (Netherlands)

Serrano, Alejandro; Hage, J.

2017-01-01

Constraint Handling Rules provide descriptions for constraint solvers. However, they fall short when those constraints specify some binding structure, like higher-rank types in a constraint-based type inference algorithm. In this paper, the term syntax of constraints is replaced by λ-tree syntax, in

Inventory Abstraction

International Nuclear Information System (INIS)

Leigh, C.

2000-01-01

The purpose of the inventory abstraction as directed by the development plan (CRWMS M and O 1999b) is to: (1) Interpret the results of a series of relative dose calculations (CRWMS M and O 1999c, 1999d). (2) Recommend, including a basis thereof, a set of radionuclides that should be modeled in the Total System Performance Assessment in Support of the Site Recommendation (TSPA-SR) and the Total System Performance Assessment in Support of the Final Environmental Impact Statement (TSPA-FEIS). (3) Provide initial radionuclide inventories for the TSPA-SR and TSPA-FEIS models. (4) Answer the U.S. Nuclear Regulatory Commission (NRC)'s Issue Resolution Status Report ''Key Technical Issue: Container Life and Source Term'' (CLST IRSR) (NRC 1999) key technical issue (KTI): ''The rate at which radionuclides in SNF [Spent Nuclear Fuel] are released from the EBS [Engineered Barrier System] through the oxidation and dissolution of spent fuel'' (Subissue 3). The scope of the radionuclide screening analysis encompasses the period from 100 years to 10,000 years after the potential repository at Yucca Mountain is sealed for scenarios involving the breach of a waste package and subsequent degradation of the waste form as required for the TSPA-SR calculations. By extending the time period considered to one million years after repository closure, recommendations are made for the TSPA-FEIS. The waste forms included in the inventory abstraction are Commercial Spent Nuclear Fuel (CSNF), DOE Spent Nuclear Fuel (DSNF), High-Level Waste (HLW), naval Spent Nuclear Fuel (SNF), and U.S. Department of Energy (DOE) plutonium waste. The intended use of this analysis is in TSPA-SR and TSPA-FEIS. Based on the recommendations made here, models for release, transport, and possibly exposure will be developed for the isotopes that would be the highest contributors to the dose given a release to the accessible environment. The inventory abstraction is important in assessing system performance because

Spatially resolved photoionization of ultracold atoms on an atom chip

International Nuclear Information System (INIS)

Kraft, S.; Guenther, A.; Fortagh, J.; Zimmermann, C.

2007-01-01

We report on photoionization of ultracold magnetically trapped Rb atoms on an atom chip. The atoms are trapped at 5 μK in a strongly anisotropic trap. Through a hole in the chip with a diameter of 150 μm, two laser beams are focused onto a fraction of the atomic cloud. A first laser beam with a wavelength of 778 nm excites the atoms via a two-photon transition to the 5D level. With a fiber laser at 1080 nm the excited atoms are photoionized. Ionization leads to depletion of the atomic density distribution observed by absorption imaging. The resonant ionization spectrum is reported. The setup used in this experiment is suitable not only to investigate mixtures of Bose-Einstein condensates and ions but also for single-atom detection on an atom chip

Toward an automaton Constraint for Local Search

Directory of Open Access Journals (Sweden)

Jun He

2009-10-01

Full Text Available We explore the idea of using finite automata to implement new constraints for local search (this is already a successful technique in constraint-based global search. We show how it is possible to maintain incrementally the violations of a constraint and its decision variables from an automaton that describes a ground checker for that constraint. We establish the practicality of our approach idea on real-life personnel rostering problems, and show that it is competitive with the approach of [Pralong, 2007].

Constraint-based Attribute and Interval Planning

Science.gov (United States)

Jonsson, Ari; Frank, Jeremy

2013-01-01

In this paper we describe Constraint-based Attribute and Interval Planning (CAIP), a paradigm for representing and reasoning about plans. The paradigm enables the description of planning domains with time, resources, concurrent activities, mutual exclusions among sets of activities, disjunctive preconditions and conditional effects. We provide a theoretical foundation for the paradigm, based on temporal intervals and attributes. We then show how the plans are naturally expressed by networks of constraints, and show that the process of planning maps directly to dynamic constraint reasoning. In addition, we de ne compatibilities, a compact mechanism for describing planning domains. We describe how this framework can incorporate the use of constraint reasoning technology to improve planning. Finally, we describe EUROPA, an implementation of the CAIP framework.

Atomic-level structures and physical properties of magnetic CoSiB metallic glasses

International Nuclear Information System (INIS)

Shan, Guangcun; Liang Zhang, Ji; Li, Jiong; Zhang, Shuo; Jiang, Zheng; Huang, Yuying; Shek, Chan-Hung

2014-01-01

Two CoSiB metallic glasses of low Co contents, which consist of different clusters, have recently been developed by addition of solute atoms. In this work, the atomic structure and the magnetic properties of the two CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) computational techniques. Besides, the origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. - Graphical abstract: The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. - Highlights: • The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were revealed. • The atomic structures were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. • The experimental spectra were in good agreement with the predictions of ab initio full multiple scattering theory using the FEFF8.4 code. • The origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. • These two metallic glasses consist of different clusters, and hence different magnetic properties, which are dominated by short-range orders (SROs)

The calculation of surface free energy based on embedded atom method for solid nickel

International Nuclear Information System (INIS)

Luo Wenhua; Hu Wangyu; Su Kalin; Liu Fusheng

2013-01-01

Highlights: ► A new solution for accurate prediction of surface free energy based on embedded atom method was proposed. ► The temperature dependent anisotropic surface energy of solid nickel was obtained. ► In isotropic environment, the approach does not change most predictions of bulk material properties. - Abstract: Accurate prediction of surface free energy of crystalline metals is a challenging task. The theory calculations based on embedded atom method potentials often underestimate surface free energy of metals. With an analytical charge density correction to the argument of the embedding energy of embedded atom method, an approach to improve the prediction for surface free energy is presented. This approach is applied to calculate the temperature dependent anisotropic surface energy of bulk nickel and surface energies of nickel nanoparticles, and the obtained results are in good agreement with available experimental data.

Constraints on stress-energy perturbations in general relativity

International Nuclear Information System (INIS)

Traschen, J.

1985-01-01

Conditions are found for the existence of integral constraints on stress-energy perturbations in general relativity. The integral constraints can be thought of as a general-relativistic generalization of the conservation of energy and momentum of matter perturbations in special relativity. The constraints are stated in terms of a vector field V, and the Robertson-Walker spacetimes are shown to have such constraint vectors. Although in general V is not a Killing vector, in a vacuum spacetime the constraint vectors are precisely the Killing vectors

Book of Program and Abstracts of the 45th Annual Meeting of the Israel Physical Society and the Second Conference of the Israel Plasma Science and Technology Association

International Nuclear Information System (INIS)

1999-01-01

This is the book of abstracts of the 45th annual meeting of the Israel Physical Society. Some of the subjects are: condensed matter; atomic and nuclear physics; quantum mechanics; particles and fields; quantum optics and plasma physics

Atomic species recognition on oxide surfaces using low temperature scanning probe microscopy

Energy Technology Data Exchange (ETDEWEB)

Ma, Zong Min, E-mail: mzmncit@163.com [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Shi, Yun Bo; Mu, Ji Liang; Qu, Zhang; Zhang, Xiao Ming; Qin, Li [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Liu, Jun, E-mail: liuj@nuc.edu.cn [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China)

2017-02-01

Highlights: • The coexisted phase of p(2 × 1)and c(6 × 2) on Cu(110)-O surface using AFM under UHV at low temperature. • Two different c(6 × 2) phase depending on the status of the tip apex. • Electronic state of tip seriously effect the resolution and stability of the sample surface. - Abstract: In scanning probe microscopy (SPM), the chemical properties and sharpness of the tips of the cantilever greatly influence the scanning of a sample surface. Variation in the chemical properties of the sharp tip apex can induce transformation of the SPM images. In this research, we explore the relationship between the tip and the structure of a sample surface using dynamic atomic force microscopy (AFM) on a Cu(110)-O surface under ultra-high vacuum (UHV) at low temperature (78 K). We observed two different c(6 × 2) phase types in which super-Cu atoms show as a bright spot when the tip apex is of O atoms and O atoms show as a bright spot when the tip apex is of Cu atoms. We also found that the electronic state of the tip has a serious effect on the resolution and stability of the sample surface, and provide an explanation for these phenomena. This technique can be used to identify atom species on sample surfaces, and represents an important development in the SPM technique.

Block Pickard Models for Two-Dimensional Constraints

DEFF Research Database (Denmark)

Forchhammer, Søren; Justesen, Jørn

2009-01-01

In Pickard random fields (PRF), the probabilities of finite configurations and the entropy of the field can be calculated explicitly, but only very simple structures can be incorporated into such a field. Given two Markov chains describing a boundary, an algorithm is presented which determines...... for the domino tiling constraint represented by a quaternary alphabet. PRF models are also presented for higher order constraints, including the no isolated bits (n.i.b.) constraint, and a minimum distance 3 constraint by defining super symbols on blocks of binary symbols....

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics.

Science.gov (United States)

Rudik, Anastasia V; Dmitriev, Alexander V; Lagunin, Alexey A; Filimonov, Dmitry A; Poroikov, Vladimir V

2016-01-01

-aliphatic and aromatic hydroxylation, N- and O-glucuronidation, N-, S- and C-oxidation, and N- and O-dealkylation. The proposed method is implemented as a freely available web service at http://www.way2drug.com/RA and may be used for the prediction of the most probable biotransformation reaction(s) and the appropriate reacting atoms in drug-like compounds.Graphical abstract.

Atom-solid binding energy shifts for K 2p and Rb 3d sublevels

International Nuclear Information System (INIS)

Holappa, M.; Aksela, S.; Patanen, M.; Urpelainen, S.; Aksela, H.

2011-01-01

Highlights: → Binding energy shifts between atom and solid. K 2p and Rb 3d sublevels were studied. → Simultaneous measurements give accurate results. → Results can be used as a reference for cluster studies. - Abstract: Binding energy shifts between free and solid state atoms for K 2p and Rb 3d photolines have been determined by measuring the vapor and solid state spectra simultaneously in similar experimental conditions applying synchrotron radiation excited photoelectron spectroscopy. This method has the important benefit that the work function is not needed to correct for different reference energy levels, therefore much more accurate values for binding energy shifts are obtained.

Nuclear medicine. Abstracts; Nuklearmedizin 2000. Abstracts

Energy Technology Data Exchange (ETDEWEB)

Anon.

2000-07-01

This issue of the journal contains the abstracts of the 183 conference papers as well as 266 posters presented at the conference. Subject fields covered are: Neurology, psychology, oncology, pediatrics, radiopharmacy, endocrinology, EDP, measuring equipment and methods, radiological protection, cardiology, and therapy. (orig./CB) [German] Die vorliegende Zeitschrift enthaelt die Kurzfassungen der 183 auf der Tagung gehaltenen Vortraege sowie der 226 praesentierten Poster, die sich mit den folgenden Themen befassten: Neurologie, Psychiatrie, Onkologie, Paediatrie, Radiopharmazie, Endokrinologie, EDV, Messtechnik, Strahlenschutz, Kardiologie sowie Therapie. (MG)

Mechanical Engineering Department technical abstracts

International Nuclear Information System (INIS)

Denney, R.M.

1982-01-01

The Mechanical Engineering Department publishes listings of technical abstracts twice a year to inform readers of the broad range of technical activities in the Department, and to promote an exchange of ideas. Details of the work covered by an abstract may be obtained by contacting the author(s). Overall information about current activities of each of the Department's seven divisions precedes the technical abstracts

Cerebral palsy in adult patients: constraint-induced movement therapy is effective to reverse the nonuse of the affected upper limb

Directory of Open Access Journals (Sweden)

Ana Cecília P. Oliveira

2016-01-01

Full Text Available ABSTRACT Objective To determine if the original protocol of Constraint-Induced Movement Therapy (CIMT, is adequate to reverse the nonuse of the affected upper limb (AUL in patients with Cerebral Palsy (CP in adulthood. Method The study included 10 patients diagnosed with CP hemiparesis had attended the adult protocol CIMT, from January/August 2009/2014. Results Average age 24.6 (SD 9.44; MAL average pretreatment How Often (HO = 0.72 and How Well (HW = 0.68 and post-treatment HO = 3.77 and HW = 3.60 (p ≤ 0.001 and pretreatment WMFT average = 21.03 and post-treatment average = 18.91 (p = 0.350. Conclusion The constraint-induced movement therapy is effective to reverse the nonuse learn of the AUL in adult patients with CP.

Discussion forum for researchers in nuclear geology. Programme and abstracts

International Nuclear Information System (INIS)

Brynard, H.J.

1986-11-01

The Atomic Energy Corporation of SA Ltd (AEC) sponsors research in nuclear geology at several South African universities with a view to delineating target areas for uranium prospecting by mining companies. In order to ensure the efficient co-ordination of this research an annual meeting is held where sponsored researchers and other organizations report on their progress during the year. This ensures valuable cross-pollination of ideas, and an input from the mining industry is gained as to which direction future research should take. The results of the researchers reported on at these meetings is not necessarily complete and the abstracts in this volume should therefore not be regarded as conclusive. In this discussion forum uranium in granites and uranium in sedimentory deposits are covered. The geochemical anomalies of uranium as well as the geohydrology and its application in defining uranium are also discussed

Bibliography of atomic and molecular excitation in heavy particle collisions, 1950--1975

International Nuclear Information System (INIS)

Hawthorne, S.W.; Thomas, E.W.; Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Kirkpatrick, M.I.; McDaniel, E.W.; Phaneuf, R.A.

1979-02-01

This annotated bibliography lists published work on atomic and molecular excitation in heavy particle collisions for the period 1950 to 1975. Sources include scientific journals, abstract compilations, conference proceedings, books, and reports. The bibliography is arranged alphabetically by author. Each entry indicates whether the work was experimental or theoretical, what energy range was covered, and what reactants were investigated. Following the bibliographical listing are indexes of reactions and authors

Revisiting the simplicity constraints and coherent intertwiners

International Nuclear Information System (INIS)

Dupuis, Maite; Livine, Etera R

2011-01-01

In the context of loop quantum gravity and spinfoam models, the simplicity constraints are essential in that they allow one to write general relativity as a constrained topological BF theory. In this work, we apply the recently developed U(N) framework for SU(2) intertwiners to the issue of imposing the simplicity constraints to spin network states. More particularly, we focus on solving on individual intertwiners in the 4D Euclidean theory. We review the standard way of solving the simplicity constraints using coherent intertwiners and we explain how these fit within the U(N) framework. Then we show how these constraints can be written as a closed u(N) algebra and we propose a set of U(N) coherent states that solves all the simplicity constraints weakly for an arbitrary Immirzi parameter.

Atomic polarizabilities

International Nuclear Information System (INIS)

Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

2015-01-01

The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed

Atomic polarizabilities

Energy Technology Data Exchange (ETDEWEB)

Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

2015-01-22

The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

Atomic physics

CERN Document Server

Foot, Christopher J

2007-01-01

This text will thoroughly update the existing literature on atomic physics. Intended to accompany an advanced undergraduate course in atomic physics, the book will lead the students up to the latest advances and the applications to Bose-Einstein Condensation of atoms, matter-wave inter-ferometry and quantum computing with trapped ions. The elementary atomic physics covered in the early chapters should be accessible to undergraduates when they are first introduced to the subject. To complement. the usual quantum mechanical treatment of atomic structure the book strongly emphasizes the experimen

The Ambiguous Role of Constraints in Creativity

DEFF Research Database (Denmark)

Biskjær, Michael Mose; Onarheim, Balder; Wiltschnig, Stefan

2011-01-01

The relationship between creativity and constraints is often described in the literature either in rather imprecise, general concepts or in relation to very specific domains. Cross-domain and cross-disciplinary takes on how the handling of constraints influences creative activities are rare. In t......-disciplinary research into the ambiguous role of constraints in creativity....

Systematics of atom-atom collision strengths at high speeds

International Nuclear Information System (INIS)

Gillespie, G.H.; Inokuti, M.

1980-01-01

The collision strengths for atom-atom collisions at high speeds are calculated in the first Born approximation. We studied four classes of collisions, distinguished depending upon whether each of the collision partners becomes excited or not. The results of numerical calculations of the collision strengths are presented for all neutral atoms with Z< or =18. The calculations are based on atomic form factors and incoherent scattering functions found in the literature. The relative contribution of each class of collision processes to the total collision cross section is examined in detail. In general, inelastic processes dominate for low-Z atoms, while elastic scattering is more important for large Z. Other systematics of the collision strengths are comprehensively discussed. The relevant experimental literature has been surveyed and the results of this work for the three collision systems H-He, He-He, and H-Ar are compared with the data for electron-loss processes. Finally, suggestions are made for future work in measurements of atom-atom and ion-atom collision cross sections

Fixed Costs and Hours Constraints

Science.gov (United States)

Johnson, William R.

2011-01-01

Hours constraints are typically identified by worker responses to questions asking whether they would prefer a job with more hours and more pay or fewer hours and less pay. Because jobs with different hours but the same rate of pay may be infeasible when there are fixed costs of employment or mandatory overtime premia, the constraint in those…

Atomic Absorption, Atomic Fluorescence, and Flame Emission Spectrometry.

Science.gov (United States)

Horlick, Gary

1984-01-01

This review is presented in six sections. Sections focus on literature related to: (1) developments in instrumentation, measurement techniques, and procedures; (2) performance studies of flames and electrothermal atomizers; (3) applications of atomic absorption spectrometry; (4) analytical comparisons; (5) atomic fluorescence spectrometry; and (6)…

Stable atomic hydrogen: Polarized atomic beam source

International Nuclear Information System (INIS)

Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

1984-01-01

We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

Highly excited atoms

International Nuclear Information System (INIS)

Kleppner, D.; Littman, M.G.; Zimmerman, M.L.

1981-01-01

Highly excited atoms are often called Rydberg atoms. These atoms have a wealth of exotic properties which are discussed. Of special interest, are the effects of electric and magnetic fields on Rydberg atoms. Ordinary atoms are scarcely affected by an applied electric or magnetic field; Rydberg atoms can be strongly distorted and even pulled apart by a relatively weak electric field, and they can be squeezed into unexpected shapes by a magnetic field. Studies of the structure of Rydberg atoms in electric and magnetic fields have revealed dramatic atomic phenomena that had not been observed before

EBS Radionuclide Transport Abstraction

International Nuclear Information System (INIS)

Schreiner, R.

2001-01-01

The purpose of this work is to develop the Engineered Barrier System (EBS) radionuclide transport abstraction model, as directed by a written development plan (CRWMS M and O 1999a). This abstraction is the conceptual model that will be used to determine the rate of release of radionuclides from the EBS to the unsaturated zone (UZ) in the total system performance assessment-license application (TSPA-LA). In particular, this model will be used to quantify the time-dependent radionuclide releases from a failed waste package (WP) and their subsequent transport through the EBS to the emplacement drift wall/UZ interface. The development of this conceptual model will allow Performance Assessment Operations (PAO) and its Engineered Barrier Performance Department to provide a more detailed and complete EBS flow and transport abstraction. The results from this conceptual model will allow PA0 to address portions of the key technical issues (KTIs) presented in three NRC Issue Resolution Status Reports (IRSRs): (1) the Evolution of the Near-Field Environment (ENFE), Revision 2 (NRC 1999a), (2) the Container Life and Source Term (CLST), Revision 2 (NRC 1999b), and (3) the Thermal Effects on Flow (TEF), Revision 1 (NRC 1998). The conceptual model for flow and transport in the EBS will be referred to as the ''EBS RT Abstraction'' in this analysis/modeling report (AMR). The scope of this abstraction and report is limited to flow and transport processes. More specifically, this AMR does not discuss elements of the TSPA-SR and TSPA-LA that relate to the EBS but are discussed in other AMRs. These elements include corrosion processes, radionuclide solubility limits, waste form dissolution rates and concentrations of colloidal particles that are generally represented as boundary conditions or input parameters for the EBS RT Abstraction. In effect, this AMR provides the algorithms for transporting radionuclides using the flow geometry and radionuclide concentrations determined by other

Future Cosmological Constraints From Fast Radio Bursts

Science.gov (United States)

Walters, Anthony; Weltman, Amanda; Gaensler, B. M.; Ma, Yin-Zhe; Witzemann, Amadeus

2018-03-01

We consider the possible observation of fast radio bursts (FRBs) with planned future radio telescopes, and investigate how well the dispersions and redshifts of these signals might constrain cosmological parameters. We construct mock catalogs of FRB dispersion measure (DM) data and employ Markov Chain Monte Carlo analysis, with which we forecast and compare with existing constraints in the flat ΛCDM model, as well as some popular extensions that include dark energy equation of state and curvature parameters. We find that the scatter in DM observations caused by inhomogeneities in the intergalactic medium (IGM) poses a big challenge to the utility of FRBs as a cosmic probe. Only in the most optimistic case, with a high number of events and low IGM variance, do FRBs aid in improving current constraints. In particular, when FRBs are combined with CMB+BAO+SNe+H 0 data, we find the biggest improvement comes in the {{{Ω }}}{{b}}{h}2 constraint. Also, we find that the dark energy equation of state is poorly constrained, while the constraint on the curvature parameter, Ω k , shows some improvement when combined with current constraints. When FRBs are combined with future baryon acoustic oscillation (BAO) data from 21 cm Intensity Mapping, we find little improvement over the constraints from BAOs alone. However, the inclusion of FRBs introduces an additional parameter constraint, {{{Ω }}}{{b}}{h}2, which turns out to be comparable to existing constraints. This suggests that FRBs provide valuable information about the cosmological baryon density in the intermediate redshift universe, independent of high-redshift CMB data.

Article Abstract

African Journals Online (AJOL)

Abstract. Simple learning tools to improve clinical laboratory practical skills training. B Taye, BSc, MPH. Addis Ababa University, College of Health Sciences, Addis Ababa, ... concerns about the competence of medical laboratory science graduates. ... standardised practical learning guides and assessment checklists would.

Faddeev-Jackiw quantization and constraints

International Nuclear Information System (INIS)

Barcelos-Neto, J.; Wotzasek, C.

1992-01-01

In a recent Letter, Faddeev and Jackiw have shown that the reduction of constrained systems into its canonical, first-order form, can bring some new insight into the research of this field. For sympletic manifolds the geometrical structure, called Dirac or generalized bracket, is obtained directly from the inverse of the nonsingular sympletic two-form matrix. In the cases of nonsympletic manifolds, this two-form is degenerated and cannot be inverted to provide the generalized brackets. This singular behavior of the sympletic matrix is indicative of the presence of constraints that have to be carefully considered to yield to consistent results. One has two possible routes to treat this problem: Dirac has taught us how to implement the constraints into the potential part (Hamiltonian) of the canonical Lagrangian, leading to the well-known Dirac brackets, which are consistent with the constraints and can be mapped into quantum commutators (modulo ordering terms). The second route, suggested by Faddeev and Jackiw, and followed in this paper, is to implement the constraints directly into the canonical part of the first order Lagrangian, using the fact that the consistence condition for the stability of the constrained manifold is linear in the time derivative. This algorithm may lead to an invertible two-form sympletic matrix from where the Dirac brackets are readily obtained. This algorithm is used in this paper to investigate some aspects of the quantization of constrained systems with first- and second-class constraints in the sympletic approach

Atomic mirrors for a Λ-type three-level atom

International Nuclear Information System (INIS)

Felemban, Nuha; Aldossary, Omar M; Lembessis, Vassilis E

2014-01-01

We propose atom mirror schemes for a three-level atom of Λ-type interacting with two evanescent fields, which are generated as a result of the total internal reflection of two coherent Gaussian laser beams at the interface of a dielectric prism with vacuum. The forces acting on the atom are derived by means of optical Bloch equations, based on the atomic density matrix elements. The theory is illustrated by setting up the equations of motion for 23 Na atom. Two types of excited schemes are examined, namely the cases in which the evanescent fields have polarization types of σ + −σ − and σ + −π. The equations are solved numerically and we get results for atomic trajectories for different parameters. The performance of the mirror for the two types of polarization schemes is quantified and discussed. The possibility of reflecting atoms at pre-determined directions is also discussed. (paper)

Water Pollution Abstracts. Volume 43, Number 4, Abstracts 645-849.

Science.gov (United States)

WATER POLLUTION, *ABSTRACTS, PURIFICATION, WASTES(INDUSTRIAL), CONTROL, SEWAGE, WATER SUPPLIES, PUBLIC HEALTH, PETROLEUM PRODUCTS, DEGRADATION, DAMS...ESTUARIES, PLANKTON, PHOTOSYNTHESIS, VIRUSES, SEA WATER , MICROBIOLOGY, UNITED KINGDOM.

Liquidity Constraints and Fiscal Stabilization Policy

DEFF Research Database (Denmark)

Kristoffersen, Mark Strøm

It is often claimed that the presence of liquidity constrained households enhances the need for and the effects of fi…scal stabilization policies. This paper studies this in a model of a small open economy with liquidity constrained households. The results show that the consequences of liquidity...... constraints are more complex than previously thought: The optimal stabilization policy in case of productivity shocks is independent of the liquidity constraints, and the presence of liquidity constraints tends to reduce the need for an active policy stabilizing productivity shocks....

Review of Minimal Flavor Constraints for Technicolor

DEFF Research Database (Denmark)

S. Fukano, Hidenori; Sannino, Francesco

2010-01-01

We analyze the constraints on the the vacuum polarization of the standard model gauge bosons from a minimal set of flavor observables valid for a general class of models of dynamical electroweak symmetry breaking. We will show that the constraints have a strong impact on the self-coupling and mas......We analyze the constraints on the the vacuum polarization of the standard model gauge bosons from a minimal set of flavor observables valid for a general class of models of dynamical electroweak symmetry breaking. We will show that the constraints have a strong impact on the self...

Quasi-atoms

International Nuclear Information System (INIS)

Armbruster, P.

1976-01-01

The concept of a quasi-atom is discussed, and several experiments are described in which molecular or quasi-atomic transitions have been observed. X-ray spectra are shown for these experiments in which heavy ion projectiles were incident on various targets and the resultant combined system behaved as a quasi-atom. This rapidly developing field has already given new insight into atomic collision phenomena. (P.J.S.)

Atomic Energy Law and technical standardization

International Nuclear Information System (INIS)

Vieweg, K.

1982-01-01

The dissertation given a representation of the origination of the Nuclear Technology Committee (KTA), its responsibilities and organization, and of the procedure of establishing and amending the KTA rules in terms of factural structure, and deals with the legal quality of the KTA and its legal organizational form. In addition, it describes the legal status of the KTA members, the legal quality of the KTA office and of the bodies participating in the establishment of rules. In conclusion, it deals with the legal quality of KTA rules and their legal significances within administrative and court procedures and proceedings bearing on atomic law. The author qualifies the KTA rules as simple administrative acts in the form of abstract-general anticipated expert's opinions. (HSCH) [de

Relativistic Transitions in the Hydrogenic Atoms

CERN Document Server

Boudet, R

2009-01-01

When one approaches the study of the quantal relativistic theory of the electron, one may be surprised by the gap which lies between the frame of the experiments, i.e. the real geometry of the space and time, and the abstraction of the complex matrices and spinors formalism employed in the presentation of the theory. This book uses a theory of the electron, introduced by David Hestenes, in which the mathematical language is the same as the one of the geometry of the space and time. Such a language not only allows one to find again the well known results concerning the one-electron atoms theory but furthermore leads easily to the resolution of problems considered for a long time without solution.

Atomic fusion, Gerrard atomic fusion

International Nuclear Information System (INIS)

Gerrard, T.H.

1980-01-01

In the approach to atomic fusion described here the heat produced in a fusion reaction, which is induced in a chamber by the interaction of laser beams and U.H.F. electromagnetic beams with atom streams, is transferred to a heat exchanger for electricity generation by a coolant flowing through a jacket surrounding the chamber. (U.K.)

Structure stability and magnetism in graphene impurity complexes with embedded V and Nb atoms

Energy Technology Data Exchange (ETDEWEB)

Thakur, Jyoti [Department of Physics, University College, Kurukshetra University, Kurukshetra 136119, Haryana (India); Kashyap, Manish K., E-mail: manishdft@gmail.com [Department of Physics, Kurukshetra University, Kurukshetra 136119, Haryana (India); Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, IA 50011-3020 (United States); Taya, Ankur; Rani, Priti [Department of Physics, Kurukshetra University, Kurukshetra 136119, Haryana (India); Saini, Hardev S. [Department of Physics, Guru Jambheshwar University of Science & Technology, Hisar 125001, Haryana (India); Reshak, A.H. [New Technologies – Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia)

2017-07-01

Highlights: • V/Nb embedding in graphene containing monovacancies/divacancies is presented. • Spin polarization near/equal to 100% ensures use of studied nanosystems in spin filter devices. • Bandstructures are analyzed to identify shifting of Dirac cone of graphene. - Abstract: The appearance of vacancy defects could produce appropriate magnetic moment in graphene and the sensitivity to absorb atoms/molecules also increases with this. In this direction, a DFT study of embedding V and Nb atom in graphene containing monovacancies (MV) and divacancies (DV) is reported. Complete/almost complete spin polarization is detected for V/Nb embedding. The origin of magnetism has been identified via interaction of 3d-states of embedded atom with C-p states present in the vicinity of embedded site. The band structures have been analyzed to counter the observed semiconducting nature of graphene in minority spin on embedding V/Nb atom. The isosurface analysis also confirms the induced magnetism of present nanosystems. The present results reveal that these nanosystems have the potential for futuristic applications like spintronics and energy resources.

Analysis of deuterium in V-Fe5at.% film by atom probe tomography (APT)

International Nuclear Information System (INIS)

Gemma, R.; Al-Kassab, T.; Kirchheim, R.; Pundt, A.

2011-01-01

Research highlights: → Deuterium distribution in V-Fe thin film was investigated by atom probe tomography. → Correct analysis was possible at analysis temperatures below 30 K. → Inhomogeneous distribution of D atoms was nevertheless observed. → This was interpreted by trapping effect at misfit dislocation. → Atom probe analysis provides detailed information on local chemistry of M-D system. - Abstract: V-Fe5at.% 2 and 10-nm thick single layered films were prepared by ion beam sputtering on W substrate. They were loaded with D from gas phase at 0.2 Pa and at 1 Pa, respectively. Both lateral and depth D distribution of these films was investigated in detail by atom probe tomography. The results of analysis are in good agreement between the average deuterium concentration and the value, expected from electromotive force measurement on a similar flat film. An enrichment of deuterium at the V/W interface was observed for both films. The origin of this D-accumulation was discussed in respect to electron transfer, mechanical stress and misfit dislocations.

Relaxations of semiring constraint satisfaction problems

CSIR Research Space (South Africa)

Leenen, L

2007-03-01

Full Text Available The Semiring Constraint Satisfaction Problem (SCSP) framework is a popular approach for the representation of partial constraint satisfaction problems. In this framework preferences can be associated with tuples of values of the variable domains...

Solar system constraints on disformal gravity theories

International Nuclear Information System (INIS)

Ip, Hiu Yan; Schmidt, Fabian; Sakstein, Jeremy

2015-01-01

Disformal theories of gravity are scalar-tensor theories where the scalar couples derivatively to matter via the Jordan frame metric. These models have recently attracted interest in the cosmological context since they admit accelerating solutions. We derive the solution for a static isolated mass in generic disformal gravity theories and transform it into the parameterised post-Newtonian form. This allows us to investigate constraints placed on such theories by local tests of gravity. The tightest constraints come from preferred-frame effects due to the motion of the Solar System with respect to the evolving cosmological background field. The constraints we obtain improve upon the previous solar system constraints by two orders of magnitude, and constrain the scale of the disformal coupling for generic models to ℳ ∼> 100 eV. These constraints render all disformal effects irrelevant for cosmology

LXII International conference NUCLEUS 2012. Fundamental problems of nuclear physics, atomic power engineering and nuclear technologies (LXII Meeting on nuclear spectroscopy and nuclear structure). Book of abstracts

International Nuclear Information System (INIS)

Vlasnikov, A.K.

2012-01-01

The scientific program of the conference covers almost all problems in nuclear physics and its applications. The recent results of experimental investigations of atomic nuclei properties and nuclear reaction mechanisms are presented. The theoretical problems of atomic nuclei and fundamental interactions as well as nuclear reactions are discussed. The new techniques and methods of nuclear physical experiments are considered. The particular attention is given to fundamental problems of nuclear power and qualitative training of russian and foreign specialist in field of nuclear physics and atomic power engineering [ru

Resonant neutron-induced atomic displacements

Energy Technology Data Exchange (ETDEWEB)

Elmaghraby, Elsayed K., E-mail: e.m.k.elmaghraby@gmail.com

2017-05-01

Highlights: • Neutron induced atomic displacements was investigated based on scattering of energy of neutron. • Model for cascade function (multiplication of displacements with increasing energy transfer) was proposed and justified. • Parameterizations for the dpa induced in all elements were performed. • Table containing all necessary parameters to calculate the displacement density induced by neutron is given. • Contribution of non resonance displacement and resonant-neutron induced displacements are distinguished. - Abstract: A model for displacement cascade function was modified to account for the continuous variation of displacement density in the material in response to neutron exposure. The model is based on the Gaussian distribution of displacement energies of atoms in a material. Analytical treatment for moderated epithermal neutron field was given in which the displacement density was divided into two terms, discrete-resonance term and continuum term. Calculation are done for all isotopes using ENDF/B VII.1 data files and temperature dependent cross section library. Weighted elemental values were reported a fitting was performed to obtain energy-dependent formula of displacement density and reduce the number of parameters. Results relevant the present specification of the cascade function are tabulated for each element to enable calculation of displacement density at any value of displacement energy in the between 5 eV and 55 eV.

INVENTORY ABSTRACTION

International Nuclear Information System (INIS)

Ragan, G.

2001-01-01

The purpose of the inventory abstraction, which has been prepared in accordance with a technical work plan (CRWMS M andO 2000e for/ICN--02 of the present analysis, and BSC 2001e for ICN 03 of the present analysis), is to: (1) Interpret the results of a series of relative dose calculations (CRWMS M andO 2000c, 2000f). (2) Recommend, including a basis thereof, a set of radionuclides that should be modeled in the Total System Performance Assessment in Support of the Site Recommendation (TSPA-SR) and the Total System Performance Assessment in Support of the Final Environmental Impact Statement (TSPA-FEIS). (3) Provide initial radionuclide inventories for the TSPA-SR and TSPA-FEIS models. (4) Answer the U.S. Nuclear Regulatory Commission (NRC)'s Issue Resolution Status Report ''Key Technical Issue: Container Life and Source Term'' (CLST IRSR) key technical issue (KTI): ''The rate at which radionuclides in SNF [spent nuclear fuel] are released from the EBS [engineered barrier system] through the oxidation and dissolution of spent fuel'' (NRC 1999, Subissue 3). The scope of the radionuclide screening analysis encompasses the period from 100 years to 10,000 years after the potential repository at Yucca Mountain is sealed for scenarios involving the breach of a waste package and subsequent degradation of the waste form as required for the TSPA-SR calculations. By extending the time period considered to one million years after repository closure, recommendations are made for the TSPA-FEIS. The waste forms included in the inventory abstraction are Commercial Spent Nuclear Fuel (CSNF), DOE Spent Nuclear Fuel (DSNF), High-Level Waste (HLW), naval Spent Nuclear Fuel (SNF), and U.S. Department of Energy (DOE) plutonium waste. The intended use of this analysis is in TSPA-SR and TSPA-FEIS. Based on the recommendations made here, models for release, transport, and possibly exposure will be developed for the isotopes that would be the highest contributors to the dose given a release

Observational constraints on interstellar chemistry

International Nuclear Information System (INIS)

Winnewisser, G.

1984-01-01

The author points out presently existing observational constraints in the detection of interstellar molecular species and the limits they may cast on our knowledge of interstellar chemistry. The constraints which arise from the molecular side are summarised and some technical difficulties encountered in detecting new species are discussed. Some implications for our understanding of molecular formation processes are considered. (Auth.)

Data Abstraction in GLISP.

Science.gov (United States)

Novak, Gordon S., Jr.

GLISP is a high-level computer language (based on Lisp and including Lisp as a sublanguage) which is compiled into Lisp. GLISP programs are compiled relative to a knowledge base of object descriptions, a form of abstract datatypes. A primary goal of the use of abstract datatypes in GLISP is to allow program code to be written in terms of objects,…

Interferometry with atoms

International Nuclear Information System (INIS)

Helmcke, J.; Riehle, F.; Witte, A.; Kisters, T.

1992-01-01

Physics and experimental results of atom interferometry are reviewed and several realizations of atom interferometers are summarized. As a typical example of an atom interferometer utilizing the internal degrees of freedom of the atom, we discuss the separated field excitation of a calcium atomic beam using four traveling laser fields and demonstrate the Sagnac effect in a rotating interferometer. The sensitivity of this interferometer can be largely increased by use of slow atoms with narrow velocity distribution. We therefore furthermore report on the preparation of a laser cooled and deflected calcium atomic beam. (orig.)

Reactions of Ground State Nitrogen Atoms N(4S) with Astrochemically-Relevant Molecules on Interstellar Dusts

Science.gov (United States)

Krim, Lahouari; Nourry, Sendres

2015-06-01

In the last few years, ambitious programs were launched to probe the interstellar medium always more accurately. One of the major challenges of these missions remains the detection of prebiotic compounds and the understanding of reaction pathways leading to their formation. These complex heterogeneous reactions mainly occur on icy dust grains, and their studies require the coupling of laboratory experiments mimicking the extreme conditions of extreme cold and dilute media. For that purpose, we have developed an original experimental approach that combine the study of heterogeneous reactions (by exposing neutral molecules adsorbed on ice to non-energetic radicals H, OH, N...) and a neon matrix isolation study at very low temperatures, which is of paramount importance to isolate and characterize highly reactive reaction intermediates. Such experimental approach has already provided answers to many questions raised about some astrochemically-relevant reactions occurring in the ground state on the surface of dust grain ices in dense molecular clouds. The aim of this new present work is to show the implication of ground state atomic nitrogen on hydrogen atom abstraction reactions from some astrochemically-relevant species, at very low temperatures (3K-20K), without providing any external energy. Under cryogenic temperatures and with high barrier heights, such reactions involving N(4S) nitrogen atoms should not occur spontaneously and require an initiating energy. However, the detection of some radicals species as byproducts, in our solid samples left in the dark for hours at 10K, proves that hydrogen abstraction reactions involving ground state N(4S) nitrogen atoms may occur in solid phase at cryogenic temperatures. Our results show the efficiency of radical species formation stemming from non-energetic N-atoms and astrochemically-relevant molecules. We will then discuss how such reactions, involving nitrogen atoms in their ground states, might be the first key step

Expressing Model Constraints Visually with VMQL

DEFF Research Database (Denmark)

Störrle, Harald

2011-01-01

) for specifying constraints on UML models. We examine VMQL's usability by controlled experiments and its expressiveness by a representative sample. We conclude that VMQL is less expressive than OCL, although expressive enough for most of the constraints in the sample. In terms of usability, however, VMQL......OCL is the de facto standard language for expressing constraints and queries on UML models. However, OCL expressions are very difficult to create, understand, and maintain, even with the sophisticated tool support now available. In this paper, we propose to use the Visual Model Query Language (VMQL...

Nano Electronics on Atomically Controlled van der Waals Quantum Heterostructures

Science.gov (United States)

2018-02-19

AFRL-AFOSR-JP-TR-2018-0012 Nano Electronics on Atomically Controlled van der Waals Quantum Heterostructures PHILIP Kim HARVARD COLLEGE PRESIDENT...21-02-2018 2.  REPORT TYPE      Final 3.  DATES COVERED (From - To)      15 Aug 2015 to 14 Feb 2017 4.  TITLE AND SUBTITLE Nano Electronics on...NOTES 14.  ABSTRACT We report molecular beam epitaxial growth and electronic transport properties of high quality topological insulator Bi2Se3 thin films

Knowledge acquisition for temporal abstraction.

Science.gov (United States)

Stein, A; Musen, M A; Shahar, Y

1996-01-01

Temporal abstraction is the task of detecting relevant patterns in data over time. The knowledge-based temporal-abstraction method uses knowledge about a clinical domain's contexts, external events, and parameters to create meaningful interval-based abstractions from raw time-stamped clinical data. In this paper, we describe the acquisition and maintenance of domain-specific temporal-abstraction knowledge. Using the PROTEGE-II framework, we have designed a graphical tool for acquiring temporal knowledge directly from expert physicians, maintaining the knowledge in a sharable form, and converting the knowledge into a suitable format for use by an appropriate problem-solving method. In initial tests, the tool offered significant gains in our ability to rapidly acquire temporal knowledge and to use that knowledge to perform automated temporal reasoning.

Reaction rate constants of H-abstraction by OH from large ketones: Measurements and site-specific rate rules

KAUST Repository

Badra, Jihad

2014-01-01

Reaction rate constants of the reaction of four large ketones with hydroxyl (OH) are investigated behind reflected shock waves using OH laser absorption. The studied ketones are isomers of hexanone and include 2-hexanone, 3-hexanone, 3-methyl-2-pentanone, and 4-methl-2-pentanone. Rate constants are measured under pseudo-first-order kinetics at temperatures ranging from 866 K to 1375 K and pressures near 1.5 atm. The reported high-temperature rate constant measurements are the first direct measurements for these ketones under combustion-relevant conditions. The effects of the position of the carbonyl group (CO) and methyl (CH3) branching on the overall rate constant with OH are examined. Using previously published data, rate constant expressions covering, low-to-high temperatures, are developed for acetone, 2-butanone, 3-pentanone, and the hexanone isomers studied here. These Arrhenius expressions are used to devise rate rules for H-abstraction from various sites. Specifically, the current scheme is applied with good success to H-abstraction by OH from a series of n-ketones. Finally, general expressions for primary and secondary site-specific H-abstraction by OH from ketones are proposed as follows (the subscript numbers indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon atom, the subscript CO indicates that the abstraction is from a site next to the carbonyl group (CO), and the prime is used to differentiate different neighboring environments of a methylene group):P1,CO = 7.38 × 10-14 exp(-274 K/T) + 9.17 × 10-12 exp(-2499 K/T) (285-1355 K)S10,CO = 1.20 × 10-11 exp(-2046 K/T) + 2.20 × 10-13 exp(160 K/T) (222-1464 K)S11,CO = 4.50 × 10-11 exp(-3000 K/T) + 8.50 × 10-15 exp(1440 K/T) (248-1302 K)S11′,CO = 3.80 × 10-11 exp(-2500 K/T) + 8.50 × 10-15 exp(1550 K/T) (263-1370 K)S 21,CO = 5.00 × 10-11 exp(-2500 K/T) + 4.00 × 10-13 exp(775 K/T) (297-1376 K) © 2014 the Partner Organisations.

Abstract ID: 176 Geant4 implementation of inter-atomic interference effect in small-angle coherent X-ray scattering for materials of medical interest.

Science.gov (United States)

Paternò, Gianfranco; Cardarelli, Paolo; Contillo, Adriano; Gambaccini, Mauro; Taibi, Angelo

2018-01-01

Advanced applications of digital mammography such as dual-energy and tomosynthesis require multiple exposures and thus deliver higher dose compared to standard mammograms. A straightforward manner to reduce patient dose without affecting image quality would be removal of the anti-scatter grid, provided that the involved reconstruction algorithms are able to take the scatter figure into account [1]. Monte Carlo simulations are very well suited for the calculation of X-ray scatter distribution and can be used to integrate such information within the reconstruction software. Geant4 is an open source C++ particle tracking code widely used in several physical fields, including medical physics [2,3]. However, the coherent scattering cross section used by the standard Geant4 code does not take into account the influence of molecular interference. According to the independent atomic scattering approximation (the so-called free-atom model), coherent radiation is indistinguishable from primary radiation because its angular distribution is peaked in the forward direction. Since interference effects occur between x-rays scattered by neighbouring atoms in matter, it was shown experimentally that the scatter distribution is affected by the molecular structure of the target, even in amorphous materials. The most important consequence is that the coherent scatter distribution is not peaked in the forward direction, and the position of the maximum is strongly material-dependent [4]. In this contribution, we present the implementation of a method to take into account inter-atomic interference in small-angle coherent scattering in Geant4, including a dedicated data set of suitable molecular form factor values for several materials of clinical interest. Furthermore, we present scatter images of simple geometric phantoms in which the Rayleigh contribution is rigorously evaluated. Copyright © 2017.

Universality of Planck's constant and a constraint from the absence of ℏ-induced neutrino mixing

Science.gov (United States)

Llanes-Estrada, Felipe J.

2014-03-01

You have probably often set ℏ = 1 but for what particle? I revisit here the possibility of a non-universal Planck-constant. Anomaly cancellation suggests that all particles in the same family perceive the same ℏ at fixed charges e, gw, gs; the difference between the muon's and the electron's (and thus the first and second families) can be tightly constrained by the muon's anomalous magnetic moment, but constraints are weaker for the third family. Neutrino mixing could have proceeded a priori not only by the Lagrangian neutrino mass-term, but also by the kinetic term if Planck's constant was not equal for all three species. An experimental constraint follows as such contributions, characterized by oscillations proportional to the energy, as opposed to the inverse energy, have been generically analyzed in the past. This provides at the same time support for gauge invariance. On the other hand if ℏ differs among particles while fixing the fine structure constants αem, αs, etc. instead of the charges, it affects the muonic atom puzzle without much constrain from g - 2 . Based on arXiv:1312.3566. Supported by spanish grants FPA2011-27853-C02-01 and CPAN.

Nuclear code abstracts (1975 edition)

International Nuclear Information System (INIS)

Akanuma, Makoto; Hirakawa, Takashi

1976-02-01

Nuclear Code Abstracts is compiled in the Nuclear Code Committee to exchange information of the nuclear code developments among members of the committee. Enlarging the collection, the present one includes nuclear code abstracts obtained in 1975 through liaison officers of the organizations in Japan participating in the Nuclear Energy Agency's Computer Program Library at Ispra, Italy. The classification of nuclear codes and the format of code abstracts are the same as those in the library. (auth.)

Observation of hidden atomic order at the interface between Fe and topological insulator Bi_{2}Te_{3}

OpenAIRE

Sanchez-Barriga, Jaime; Ogorodnikov, Ilya I.; Kuznetsov, Mikhail V.; Volykhov, Andrey A.; Matsui, Fumihiko; Callaert, Carolien; Hadermann, Joke; Verbitskiy, Nikolay I.; Koch, Roland J.; Varykhalov, Andrei; Rader, Oliver; Yashina, Lada V.

2017-01-01

Abstract: To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface diso...

Implicit Motives and Men's Perceived Constraint in Fatherhood.

Science.gov (United States)

Ruppen, Jessica; Waldvogel, Patricia; Ehlert, Ulrike

2016-01-01

Research shows that implicit motives influence social relationships. However, little is known about their role in fatherhood and, particularly, how men experience their paternal role. Therefore, this study examined the association of implicit motives and fathers' perceived constraint due to fatherhood. Furthermore, we explored their relation to fathers' life satisfaction. Participants were fathers with biological children ( N = 276). They were asked to write picture stories, which were then coded for implicit affiliation and power motives. Perceived constraint and life satisfaction were assessed on a visual analog scale. A higher implicit need for affiliation was significantly associated with lower perceived constraint, whereas the implicit need for power had the opposite effect. Perceived constraint had a negative influence on life satisfaction. Structural equation modeling revealed significant indirect effects of implicit affiliation and power motives on life satisfaction mediated by perceived constraint. Our findings indicate that men with a higher implicit need for affiliation experience less constraint due to fatherhood, resulting in higher life satisfaction. The implicit need for power, however, results in more perceived constraint and is related to decreased life satisfaction.

Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

International Nuclear Information System (INIS)

Stuyver, T.; Fias, S.; De Proft, F.; Geerlings, P.; Fowler, P. W.

2015-01-01

The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability

Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

Energy Technology Data Exchange (ETDEWEB)

Stuyver, T.; Fias, S., E-mail: sfias@vub.ac.be; De Proft, F.; Geerlings, P. [ALGC, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel (Belgium); Fowler, P. W. [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom)

2015-03-07

The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities.

Science.gov (United States)

Stuyver, T; Fias, S; De Proft, F; Fowler, P W; Geerlings, P

2015-03-07

The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

Site-specific reaction rate constant measurements for various secondary and tertiary H-abstraction by OH radicals

KAUST Repository

Badra, Jihad

2015-02-01

Reaction rate constants for nine site-specific hydrogen atom (H) abstraction by hydroxyl radicals (OH) have been determined using experimental measurements of the rate constants of Alkane+OH→Products reactions. Seven secondary (S 20, S 21, S 22, S 30, S 31, S 32, and S 33) and two tertiary (T 100 and T 101) site-specific rate constants, where the subscripts refer to the number of carbon atoms (C) connected to the next-nearest-neighbor (N-N-N) C atom, were obtained for a wide temperature range (250-1450K). This was done by measuring the reaction rate constants for H abstraction by OH from a series of carefully selected large branched alkanes. The rate constant of OH with four different alkanes, namely 2,2-dimethyl-pentane, 2,4-dimethyl-pentane, 2,2,4-trimethyl-pentane (iso-octane), and 2,2,4,4-tetramethyl-pentane were measured at high temperatures (822-1367K) using a shock tube and OH absorption diagnostic. Hydroxyl radicals were detected using the narrow-line-width ring-dye laser absorption of the R1(5) transition of OH spectrum near 306.69nm.Previous low-temperature rate constant measurements are added to the current data to generate three-parameter rate expressions that successfully represent the available direct measurements over a wide temperature range (250-1450. K). Similarly, literature values of the low-temperature rate constants for the reaction of OH with seven normal and branched alkanes are combined with the recently measured high-temperature rate constants from our group [1]. Subsequent to that, site-specific rate constants for abstractions from various types of secondary and tertiary H atoms by OH radicals are derived and have the following modified Arrhenius expressions:. S20=8.49×10-17T1.52exp(73.4K/T)cm3molecule-1s-1(250-1450K) S21=1.07×10-15T1.07exp(208.3K/T)cm3molecule-1s-1(296-1440K) S22=2.88×10-13T0.41exp(-291.5K/T)cm3molecule-1s-1(272-1311K) S30=3.35×10-18T1.97exp(323.1K/T)cm3molecule-1s-1(250-1366K) S31=1.60×10-18T2.0exp(500.0K/T)cm3

Reaction of hydrogen atoms produced by radiolysis and photolysis in solid phase at 4 and 77 K

International Nuclear Information System (INIS)

Miyazaki, Tetsuo

1991-01-01

The behavior of H atoms in the solid phase has been reviewed with special attention to comparison of H atoms produced by radiolysis with those produced by photolysis. The paper consists of three parts. I -Production of H atoms: (1) the experimental results which indicate H-atom formation in the radiolysis of solid alkane are summarized; (2) ESR saturation behavior of trapped H atoms depends upon the method of H-atom-production, i.e. photolysis or radiolysis, and upon the initial energy of H atoms in the photolysis. II - Diffusion of H atoms: (1) activation energies for thermally-activated diffusion of H atoms are shown; (2) quantum diffusion of H atoms in solid H 2 is explained in terms of repetition of tunneling reaction H 2 + H → H + H 2 . III -Reaction of H atoms: (1) reactions and trapping processes of hot H atoms have been shown in solid methane and argon by use of hot H atoms with specified initial energy; (2) when H atoms are produced by the radiolysis of solvent alkane or by the photolysis of HI in the alkane mixtures at 77 K, the H atoms react very selectively with solute alkane at low concentration. The selective reaction of the H atom has been found in eight matrices; (3) activation energy for a hydrogen-atom-abstraction reaction by thermal H atoms at low temperatures is less than than several kJ mol -1 because of quantum tunneling. The absolute rate constants for H 2 (D 2 , HD) + H(D) tunneling reactions have been determined experimentally in solid hydrogen at 4.2K; (4) theoretical studies for tunneling reactions H 2 (D 2 ,HD) + H(D) at ultralow temperatures were reviewed. The calculated rate constants were compared with the rate constants obtained experimentally. (author)

Local atomic and crystal structure rearrangement during the martensitic transformation in Ti50Ni25Cu25 shape memory alloy

International Nuclear Information System (INIS)

Menushenkov, Alexey; Grishina, Olga; Shelyakov, Alexander; Yaroslavtsev, Alexander; Zubavichus, Yan; Veligzhanin, Alexey; Bednarcik, Jozef; Chernikov, Roman; Sitnikov, Nikolay

2014-01-01

Highlights: • Local crystalline structure of TiNiCu SMA is investigated using EXAFS. • Peculiarities of Ni and Cu local environment are found. • Ti atoms show greater mobility relative to Ni atoms. • Ni local environment change is significant for shape memory effect. -- Abstract: The changes of crystal structure and local crystalline environment of Ti, Ni and Cu atoms in Ti 50 Ni 25 Cu 25 shape memory alloy are investigated using X-ray diffraction and extended X-ray absorption fine structure spectroscopy (EXAFS) in temperature range of martensite transformation. The analysis of the EXAFS-spectra shows that the bonds involving Ni atoms have the highest degree of disorder and the change in the local environment around Ni atoms is significant for the occurrence of the shape memory effect, while Cu atoms occupy the normal positions in the crystallographic structure and have the lowest displacement amplitude leading to the stabilization of both phases

Magnetic atom optics: mirrors, guides, traps, and chips for atoms

Energy Technology Data Exchange (ETDEWEB)

Hinds, E.A.; Hughes, I.G. [Sussex Centre for Optical and Atomic Physics, University of Sussex, Brighton (United Kingdom)

1999-09-21

For the last decade it has been possible to cool atoms to microkelvin temperatures ({approx}1 cm s{sup -1}) using a variety of optical techniques. Light beams provide the very strong frictional forces required to slow atoms from room temperature ({approx}500 m s{sup -1}). However, once the atoms are cold, the relatively weak conservative forces of static electric and magnetic fields play an important role. In our group we have been studying the interaction of cold rubidium atoms with periodically magnetized data storage media. Here we review the underlying principles of the forces acting on atoms above a suitably magnetized substrate or near current-carrying wires. We also summarize the status of experiments. These structures can be used as smooth or corrugated reflectors for controlling the trajectories of cold atoms. Alternatively, they may be used to confine atoms to a plane, a line, or a dot and in some cases to reach the quantum limit of confinement. Atoms levitated above a magnetized surface can be guided electrostatically by wires deposited on the surface. The flow and interaction of atoms in such a structure may form the basis of a new technology, 'integrated atom optics' which might ultimately be capable of realizing a quantum computer. (author)

On relaxing the Mangasarian-Fromovitz constraint qualification

Czech Academy of Sciences Publication Activity Database

Kruger, A.Y.; Minchenko, L.; Outrata, Jiří

2014-01-01

Roč. 18, č. 1 (2014), s. 171-189 ISSN 1385-1292 R&D Projects: GA ČR GAP402/12/1309 Institutional support: RVO:67985556 Keywords : Nonlinear programming * Regularity conditions * Constraint qualifications * Lagrange multipliers * Mangasarian–Fromovitz constraint qualification * Constant rank constraint qualification Subject RIV: BA - General Mathematics Impact factor: 0.679, year: 2014 http://library.utia.cas.cz/separaty/2014/MTR/outrata-0426110.pdf

Delocalized electrons in atomic and molecular nanoclusters

Energy Technology Data Exchange (ETDEWEB)

Kresin, Vitaly [Univ. of Southern California, Los Angeles, CA (United States)

2018-01-17

The aim of the award (Program director: Dr. Mark Pederson) was to facilitate the attendance of researchers, students, and postdocs from the U.S. at the international workshop co-organized by the applicant. The award succeeded in making it possible for a number of US attendees to present their work and participate in the meeting, which was a significant event in the research community at the interdisciplinary interface of physical chemistry, nanoscience, atomic and molecular physics, condensed matter physics, and spectroscopy. The workshop did not issue proceedings, but the present report includes present the schedule, the abstracts, and the attendance list of the July 2016 Workshop. DOE sponsorship is gratefully acknowledged in the program.

Constraint programming for modelling and solving modal satisfiability

NARCIS (Netherlands)

Brand, S.; Gennari, R.; de Rijke, M.

2003-01-01

We explore to what extent and how efficiently constraint programmingcan be used in the context of automated reasoning for modal logics. We encode modal satisfiability problems as constraint satisfactionproblems with non-boolean domains, together with suitable constraints.Experiments show that the

Abstract Interpretation and Attribute Gramars

DEFF Research Database (Denmark)

Rosendahl, Mads

The objective of this thesis is to explore the connections between abstract interpretation and attribute grammars as frameworks in program analysis. Abstract interpretation is a semantics-based program analysis method. A large class of data flow analysis problems can be expressed as non-standard ...... is presented in the thesis. Methods from abstract interpretation can also be used in correctness proofs of attribute grammars. This proof technique introduces a new class of attribute grammars based on domain theory. This method is illustrated with examples....

Low energy atom-atom collisions

International Nuclear Information System (INIS)

Child, M.S.

1980-01-01

The semiclassical theory of atom-atom potential scattering and of low energy inelastic atom-atom scattering is reviewed. Particular attention is given to the origin and interpretation of rainbow structure, diffraction oscillations and exchange oscillations in the potential scattering differential cross-section, and to the glory structure and symmetry oscillations in the integral cross-section. Available methods for direct inversion of the cross-section data to recover the potential are reviewed in some detail. The theory of non-adiabatic transitions is introduced by a short discussion of interaction mechanisms and of diabetic and adiabatic representations. Analytical S matrix elements are presented for two state curve-crossing (Landau-Zener-Stuckelberg), Demkov and Nikitin models. The relation between Stuckelberg oscillations in the S matrix and in the differential cross-section is discussed in terms of interference between trajectories belonging to two different classical deflection functions. The energy dependences of the inelastic integral cross-section for curve-crossing and Demkov type transitions are also discussed. Finally the theory is reviewed in relation to a recent close-coupled study of fine structure transitions in F( 2 P) + Xe( 2 S) scattering

Is the Abstract a Mere Teaser? Evaluating Generosity of Article Abstracts in the Environmental Sciences

Directory of Open Access Journals (Sweden)

Liana Ermakova

2018-05-01

Full Text Available An abstract is not only a mirror of the full article; it also aims to draw attention to the most important information of the document it summarizes. Many studies have compared abstracts with full texts for their informativeness. In contrast to previous studies, we propose to investigate this relation based not only on the amount of information given by the abstract but also on its importance. The main objective of this paper is to introduce a new metric called GEM to measure the “generosity” or representativeness of an abstract. Schematically speaking, a generous abstract should have the best possible score of similarity for the sections important to the reader. Based on a questionnaire gathering information from 630 researchers, we were able to weight sections according to their importance. In our approach, seven sections were first automatically detected in the full text. The accuracy of this classification into sections was above 80% compared with a dataset of documents where sentences were assigned to sections by experts. Second, each section was weighted according to the questionnaire results. The GEM score was then calculated as a sum of weights of sections in the full text corresponding to sentences in the abstract normalized over the total sum of weights of sections in the full text. The correlation between GEM score and the mean of the scores assigned by annotators was higher than the correlation between scores from different experts. As a case study, the GEM score was calculated for 36,237 articles in environmental sciences (1930–2013 retrieved from the French ISTEX database. The main result was that GEM score has increased over time. Moreover, this trend depends on subject area and publisher. No correlation was found between GEM score and citation rate or open access status of articles. We conclude that abstracts are more generous in recent publications and cannot be considered as mere teasers. This research should be pursued

Atomic and molecular layer deposition for surface modification

Energy Technology Data Exchange (ETDEWEB)

Vähä-Nissi, Mika, E-mail: mika.vaha-nissi@vtt.fi [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland); Sievänen, Jenni; Salo, Erkki; Heikkilä, Pirjo; Kenttä, Eija [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland); Johansson, Leena-Sisko, E-mail: leena-sisko.johansson@aalto.fi [Aalto University, School of Chemical Technology, Department of Forest Products Technology, PO Box 16100, FI‐00076 AALTO (Finland); Koskinen, Jorma T.; Harlin, Ali [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland)

2014-06-01

Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gas–solid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin – even non-uniform – atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: • ALD/MLD can be used to adjust surface characteristics of films and fiber materials. • Hydrophobicity after few deposition cycles of Al{sub 2}O{sub 3} due to e.g. complex formation. • Same effect on cellulosic fabrics observed with low temperature deposited TiO{sub 2}. • Different film growth and oxidation potential with different precursors. • Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt.

Cosmological constraints on Brans-Dicke theory.

Science.gov (United States)