Tartu Ülikooli uued audoktorid

Index Scriptorium Estoniae

2003-01-01

Tartu Ülikooli uued audoktorid on: Wilfried Schlüter, Liisa Marjatta Ahtee, Hans Hilmar Goebel, Tapani Ruutu, Jürgen Mittelstrass, Keijo Aarre Virtanen, Giovanni Romeo, José Luis Abbud Mas, Svennik Haeyer, Björn Wittrock

Approaches for Assessing the Presence and Impact of Thyroid Hormone Disrupting Chemicals in Delphinid Cetaceans

Science.gov (United States)

2006-09-01

REFERENCES Achen MG, Harms PJ, Thomas T, Richardson SJ, Wettenhall REH, Schreiber G. 1992. Protein synthesis at the blood-brain barrier. The major...was cleaned with an antiseptic scrub and lidocaine was injected in an L-block configuration approximately 4 cm anterior to the biopsy region. For each...REFERENCES Achen MG, Harms PJ, Thomas T, Richardson SJ, Wettenhall REH, Schreiber G. 1992. Protein synthesis at the blood-brain barrier. The major

Tank 241-T-203, core 190 analytical results for the final report

International Nuclear Information System (INIS)

Steen, F.H.

1997-01-01

This document is the analytical laboratory report for tank 241-T-203 push mode core segments collected on April 17, 1997 and April 18, 1997. The segments were subsainpled and analyzed in accordance with the Tank 241-T-203 Push Mode Core Sampling andanalysis Plan (TSAP) (Schreiber, 1997a), the Safety Screening Data Quality Objective (DQO)(Dukelow, et al., 1995) and Leffer oflnstructionfor Core Sample Analysis of Tanks 241-T-201, 241-T-202, 241-T-203, and 241-T-204 (LOI)(Hall, 1997). The analytical results are included in the data summary report (Table 1). None of the samples submitted for Differential Scanning Calorimetry (DSC), Total Alpha Activity (AT) and Total Organic Carbon (TOC) exceeded notification limits as stated in the TSAP (Schreiber, 1997a). The statistical results of the 95% confidence interval on the mean calculations are provided by the Tank Waste Remediation Systems (TWRS) Technical Basis Group in accordance with the Memorandum of Understanding (Schreiber, 1997b) and not considered in this report

Bulk viscous cosmology with causal transport theory

International Nuclear Information System (INIS)

Piattella, Oliver F.; Fabris, Júlio C.; Zimdahl, Winfried

2011-01-01

We consider cosmological scenarios originating from a single imperfect fluid with bulk viscosity and apply Eckart's and both the full and the truncated Müller-Israel-Stewart's theories as descriptions of the non-equilibrium processes. Our principal objective is to investigate if the dynamical properties of Dark Matter and Dark Energy can be described by a single viscous fluid and how such description changes when a causal theory (Müller-Israel-Stewart's, both in its full and truncated forms) is taken into account instead of Eckart's non-causal one. To this purpose, we find numerical solutions for the gravitational potential and compare its behaviour with the corresponding ΛCDM case. Eckart's and the full causal theory seem to be disfavoured, whereas the truncated theory leads to results similar to those of the ΛCDM model for a bulk viscous speed in the interval 10 −11 || cb 2 ∼ −8

The Effect of Tensor Interaction in Splitting the Energy Levels of Relativistic Systems

Directory of Open Access Journals (Sweden)

Mohammad Reza Shojaei

2016-01-01

Full Text Available We solve approximately Dirac equation for Eckart plus Hulthen potentials with Coulomb-like and Yukawa-like tensor interaction in the presence of spin and pseudospin symmetry for k≠0. The formula method is used to obtain the energy eigenvalues and wave functions. We also discuss the energy eigenvalues and the Dirac spinors for Eckart plus Hulthen potentials with formula method. To show the accuracy of the present model, some numerical results are shown in both pseudospin and spin symmetry limits.

Browse Title Index

African Journals Online (AJOL)

Fatima Safini, Hassan Jjouhadi, Asmaa Chehal, Farida Mernissi, Akpoo Wilfried, Zineb Bouchbika, Amina Taleb, Nadia Benchakroun, Nezha Tawfiq, Souha Sahraoui, Abdellatif Benider. Vol 21, No 1 (2015), Cancer du sein au Cameroun, profil histo-épidémiologique: à propos de 3044 cas, Abstract PDF. J.P.N. Engbang, H ...

Instantaneous Tunneling Flight Time for Wavepacket Transmission through Asymmetric Barriers.

Science.gov (United States)

Petersen, Jakob; Pollak, Eli

2018-04-12

The time it takes a particle to tunnel through the asymmetric Eckart barrier potential is investigated using Gaussian wavepackets, where the barrier serves as a model for the potential along a chemical reaction coordinate. We have previously shown that the, in principle experimentally measurable, tunneling flight time, which determines the time taken by the transmitted particle to traverse the barrier, vanishes for symmetric potentials like the Eckart and square barrier [ Petersen , J. ; Pollak , E. J. Phys. Chem. Lett. 2017 , 9 , 4017 ]. Here we show that the same result is obtained for the asymmetric Eckart barrier potential, and therefore, the zero tunneling flight time seems to be a general result for one-dimensional time-independent potentials. The wavepacket dynamics is simulated using both an exact quantum mechanical method and a classical Wigner prescription. The excellent agreement between the two methods shows that quantum coherences are not important in pure one-dimensional tunneling and reinforces the conclusion that the tunneling flight time vanishes.

Current Evaluation Procedures for Fertilizers and Soil Conditioners Used in Organic Agriculture. Proceedings of a workshop held April 29–30, 2004 at Emerson College, Great Britain

OpenAIRE

Canali, Stefano; Stopes, Christopher; Schmid, Otto; Speiser, Bernhard

2005-01-01

Table of Contents Fertilizers and soil conditioners in organic farming in Austria Alexandra Hozzank and Wilfried Hartl Fertilizers and soil conditioners in organic farming in the Czech Republic Anamarija Slabe Fertilizers and soil conditioners in organic farming in Denmark Rasmus Ørnberg Eriksen and Erik Steen Kristensen Fertilizers and soil conditioners in organic farming in France Marie-Christine Monnier Fertilizers and soil conditioners in organic fa...

Journal of Child and Adolescent Mental Health - Vol 14, No 1 (2002)

African Journals Online (AJOL)

Assessment of children for psycho dynamically oriented psychotherapy. RBH Anderson ... Brief-term Group Psychotherapy with Late Adolescents. Birgit Schreiber ... AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for ...

The new survivors and a new era for trauma research.

Science.gov (United States)

Brohi, Karim; Schreiber, Martin

2017-07-01

Karim Brohi and Martin Schreiber, Guest Editors of the Special Issue on Trauma, describe a new era in exploration of the biology of injury response and translation of new opportunities into clinical practice.

The new survivors and a new era for trauma research

OpenAIRE

Brohi, Karim; Schreiber, Martin

2017-01-01

Karim Brohi and Martin Schreiber, Guest Editors of the Special Issue on Trauma, describe a new era in exploration of the biology of injury response and translation of new opportunities into clinical practice.

Matrix elements of a hyperbolic vector operator under SO(2,1)

International Nuclear Information System (INIS)

Zettili, N.; Boukahil, A.

2003-01-01

We deal here with the use of Wigner–Eckart type arguments to calculate the matrix elements of a hyperbolic vector operator V-vector by expressing them in terms of reduced matrix elements. In particular, we focus on calculating the matrix elements of this vector operator within the basis of the hyperbolic angular momentum T-vector whose components T-vector 1 , T-vector 2 , T-vector 3 satisfy an SO(2,1) Lie algebra. We show that the commutation rules between the components of V-vector and T-vector can be inferred from the algebra of ordinary angular momentum. We then show that, by analogy to the Wigner–Eckart theorem, we can calculate the matrix elements of V-vector within a representation where T-vector 2 and T-vector 3 are jointly diagonal. (author)

On selection rules in vibrational and rotational molecular spectroscopy

International Nuclear Information System (INIS)

Guichardet, A.

1986-01-01

The aim of this work is a rigorous proof of the Selection Rules in Molecular Spectroscopy (Vibration and Rotation). To get this we give mathematically rigorous definitions of the (tensor) transition operators, in this case the electric dipole moment; this is done, firstly by considering the molecule as a set of point atomic kernels performing arbitrary motions, secondly by limiting ourselves either to infinitesimal vibration motions, or to arbitrary rotation motions. Then the selection rules follow from an abstract formulation of the Wigner-Eckart theorem. In a last paragraph we discuss the problem of separating vibration and rotation motions; very simple ideas from Differential Geometry, linked with the ''slice theorem'', allow us to define the relative speeds, the solid motions speeds, the Coriolis energies and the moving Eckart frames [fr

Randall-Sundrum model with λ<0 and bulk brane viscosity

International Nuclear Information System (INIS)

Lepe, Samuel; Pena, Francisco; Saavedra, Joel

2008-01-01

We study the effect of the inclusion of bulk brane viscosity on brane world (BW) cosmology in the framework of the Eckart's theory, we focus in the Randall-Sundrum model with negative tension on the brane

A Parallel Distributed Processing Approach to Behavior and Biology in Schizophrenia

Science.gov (United States)

1989-10-01

delusions) and the other that reflects dopamine underactivity (negative symptoms - e.g., avolition, amotivation and withdrawal). Several authors have... amotivation . While both may be related to frontal lobe Behavior and Biology in Schizophrenia Cohen and Servan-Schreiber 32 deficits, the models in their

R. Oltean on  W. Raussert & R. Isensee’s (eds Transcultural Visions of Identities.

Directory of Open Access Journals (Sweden)

2009-07-01

Full Text Available Wilfried Raussert and Reinhard Isensee. Eds. Transcultural Visions of Identities in Images and Texts. American Studies. A Monograph Series vol 175. Universitätsverlag Winter Heidelberg, 2008.The papers in this volume are the outcome of an international conference in honor of Günter H. Lenz, held at the Humboldt University, Berlin, February 2005. As the editors note in the introduction, the conference was intended to provide possible answers to the question posed by Shelley Fisher-Fishkin, “Wh...

Energy of the state base of atoms of the isoelectronic succession of the orthohelium

International Nuclear Information System (INIS)

Maya, Hector Roger; Campos R, Diogenes

1997-01-01

This paper address the problem of finding the quantum energy of the ground state of the orthohelium isoelectronic sequence (2 < z < 10) by combining the Eckart model and the perturbation theory in the so-called First Born approximation

Randall-Sundrum model with {lambda}<0 and bulk brane viscosity

Energy Technology Data Exchange (ETDEWEB)

Lepe, Samuel [Instituto de Fisica, Pontificia Universidad Catolica de Valparaiso, Casilla 4950, Valparaiso (Chile); Pena, Francisco [Departamento de Ciencias Fisicas, Facultad de Ingenieria, Ciencias y Administracion, Universidad de la Frontera, Avda. Francisco Salazar 01145, Casilla 54-D, Temuco (Chile); Saavedra, Joel [Instituto de Fisica, Pontificia Universidad Catolica de Valparaiso, Casilla 4950, Valparaiso (Chile)], E-mail: joel.saavedra@ucv.cl

2008-04-17

We study the effect of the inclusion of bulk brane viscosity on brane world (BW) cosmology in the framework of the Eckart's theory, we focus in the Randall-Sundrum model with negative tension on the brane.

COEFICIENTES DE TRANSMISSÃO E REFLEXÃO PELO MÉTODO DA AMPLITUDE VARIÁVEL

Directory of Open Access Journals (Sweden)

Éderson D'M. Costa

Full Text Available In this work, a simple derivation of the variable amplitude method using the variation of parameters to solve a differential equation is presented. The variable amplitude method was originally devised by Tikochinsky in 1977, using the quantum theory of scattering. The method is applied to two model potentials, the rectangular potential barrier and the Eckart potential, both with analytical solutions for the reflection coefficient. Numerical results will be compared with the exact values for several energies. The problem of calculating the reflection coefficient, usually involving extensive algebra as described in several textbooks, is reduced to solving a first order differential equation with initial condition. The method is very simple to apply, representing an attractive tool for teaching introductory quantum mechanics. A simple computer code is available from which reflection coefficients for the Eckart potential can be calculated.

Det menneskelige

DEFF Research Database (Denmark)

Olsen, Jan Brødslev

livsfasepsykologi, Winnicotts og Heinz Kohuts Selv-psykologi, Seligmans positive psykologi, kognitiv psykologi og A. H. Almaas' essenspsykologi), lærinsgteori (David Kolb), teorierne om følelsesmæssig intelligens (Daniel Goleman, David Servan-Schreiber) samt buddhisme (Dalai Lama) og kristendom. I bogen gives der...

Singing of Neoconocephalus robustus as an example of ...

Indian Academy of Sciences (India)

PRAKASH KUMAR

Nonlinear time series analysis (Abarbanel 1996; Kantz and. Schreiber 1997 .... R x x i j i. i m. j m. = −. −. +. + τ τ p p. (). ( ) . Figure 2. Determination of the minimal required embedding ... is the average direction of the trajectory through the box.

Intertwiners and their applications

International Nuclear Information System (INIS)

Breitenecker, M.; Gruemm, H.R.

1982-01-01

The concept of 'intertwiner' - less familiar to physicists - appears to be quite useful for the applications of group theory. We present as examples the change of ground field as well as a basis-free version of the Wigner-Eckart theorem. (Author)

Swedish Masters of Modernism: A Review of Nicholas Adams, Gunnar Asplund’s Gothenburg: The Transformation of Public Architecture in Interwar Europe, and Janne Ahlin, Sigurd Lewerentz, Architect 1885–1975

Directory of Open Access Journals (Sweden)

Peter Blundell Jones

2015-09-01

Full Text Available Nicholas Adams, Gunnar Asplund’s Gothenburg: The Transformation of Public Architecture in Interwar Europe, University Park: Penn State University Press, 288 pages, 152 illustrations, 2014, ISBN: 978-0-271-05984-6 Janne Ahlin, Sigurd Lewerentz, Architect 1885–1975, with an epilog by Wilfried Wang, Zürich: Park Books, 204 pages, 29 colour and 307 b/w illustrations, plans and drawings, 2014, ISBN: 978-3-906027-48-7, (facsimile of the original edition by Byggförlaget, Stockholm and MIT Press, Cambridge MA, 1987

LHCb experiment magnets

CERN Multimedia

Maximilien Brice

2004-01-01

The leading members of the LHCb magnet project, from left to right: Pierre-Ange Giudici, who organized and supervised the industrial production of the coils; Marcello Losasso, who performed the 3D calculations to optimise the magnetic field; Olivier Jamet, responsible for the 3D design; Jean Renaud, in charge of the magnet assembly, and Wilfried Flegel, project leader. The LHCb detector will investigate matter-antimatter differences in B mesons at the LHC. The coils of the detector's huge dipole magnet are seen here in April 2004.

Sumberg ehitab vanalinna veel ühe viietärnihotelli / Askur Alas

Index Scriptorium Estoniae

Alas, Askur, 1973-

2005-01-01

Tallinna vanalinnas Vene ja Apteegi tänava nurgal asuv endine telegraafimaja rekonstrueeritakse viietärnihotelliks ja selle sõjas hävinud tiib ehitatakse uuesti üles. Rekonstrueerimisprojekti autor on Martin Aunin. Hoone kavandas 1873. aastal Peterburist pärit arhitekt Schreiberg (P. Schreiber?) pangahooneks

Hilbert's programs and beyond

CERN Document Server

2013-01-01

David Hilbert was one of the great mathematicians who expounded the centrality of their subject in human thought. In this collection of essays, Wilfried Sieg frames Hilbert's foundational work, from 1890 to 1939, in a comprehensive way and integrates it with modern proof theoretic investigations. Ten essays are devoted to the analysis of classical as well as modern proof theory; three papers on the mathematical roots of Hilbert's work precede the analytical core, and three final essays exploit an open philosophical horizon for reflection on the nature of mathematics in the 21st century.

Irreversible Catalyst Activation Enables Hyperpolarization and Water Solubility for NMR Signal Amplification by Reversible Exchange

Science.gov (United States)

2016-09-12

G. R.; Duckett, S. B.; Spiess , H. W.; Schreiber, L. M.; Münnemann, K. Continuous Proton Hyperpolarization Via SABRE and Hollow Fibre Membranes. Proc...M.; Kindervater, P.; Raich, H.-P.; Bargon, J.; Spiess , H. W.; Muennemann, K. Continuous H-1 and C-13 Signal Enhancement in NMR Spectroscopy and MRI

The Euclidean distance degree of an algebraic variety

NARCIS (Netherlands)

Draisma, J.; Horobet, E.; Ottaviani, G.; Sturmfels, B.; Thomas, R.R.

2013-01-01

The nearest point map of a real algebraic variety with respect to Euclidean distance is an algebraic function. For instance, for varieties of low rank matrices, the Eckart-Young Theorem states that this map is given by the singular value decomposition. This article develops a theory of such nearest

The Euclidean distance degree

NARCIS (Netherlands)

Draisma, J.; Horobet, E.; Ottaviani, G.; Sturmfels, B.; Thomas, R.R.; Zhi, L.; Watt, M.

2014-01-01

The nearest point map of a real algebraic variety with respect to Euclidean distance is an algebraic function. For instance, for varieties of low rank matrices, the Eckart-Young Theorem states that this map is given by the singular value decomposition. This article develops a theory of such nearest

Book review

African Journals Online (AJOL)

Book review. * Dr Birgit Schreiber is the Director of the Centre for Student Support Services at the University of the. Western Cape, Cape Town, South Africa. Email: bschreiber@uwc.ac.za. Manuel Castells (2001), who is regarded as one of the most influential social scientists commenting on the role of higher education in ...

Tensor operators in R-matrix approach

International Nuclear Information System (INIS)

Bytsko, A.G.; Rossijskaya Akademiya Nauk, St. Petersburg

1995-12-01

The definitions and some properties (e.g. the Wigner-Eckart theorem, the fusion procedure) of covariant and contravariant q-tensor operators for quasitriangular quantum Lie algebras are formulated in the R-matrix language. The case of U q (sl(n)) (in particular, for n=2) is discussed in more detail. (orig.)

Download this PDF file

African Journals Online (AJOL)

Journal of Student Affairs in Africa | Volume 4(1) 2016, 98–100 | 2307-6267 | DOI: 10.14426/jsaa.v4i1.148 www.jsaa.ac.za ... Dr Birgit Schreiber is Senior Director Student Affairs at the University of Stellenbosch. Frameworks for extended ... This book contributes to the scholarship on concepts of persistence, success, attrition.

‘Cultural encounters: Western scholarship and Fang statuary from Equatorial Africa’ [Inaugural address, delivered on the acceptance of an extraordinary professorship at Tilburg University, Netherlands, in 2011

Directory of Open Access Journals (Sweden)

Wilfried van Damme

2014-12-01

Full Text Available In this inaugural address, delivered on the acceptance of an extraordinary professorship at Tilburg University, Netherlands, in 2011, Wilfried van Damme examines three approaches that have been characteristically applied within the Western anthropology of art during the last half century. Illustrating these approaches with reference to the study of Fang statuary from equatorial Africa, he discusses a stylistic approach, focusing on anatomical details and proportions of Fang anthropomorphic sculptures; a culturalist approach, highlighting the local meaning and values these sculptures express; and a postcolonial approach, dealing with the Western appropriation and commodification of Fang statues.

Dirac equation with spin symmetry for the modified Pöschl–Teller ...

Indian Academy of Sciences (India)

effective nuclear shell-model scheme [7–9]. Also, various potentials such as the Morse potential [10–12], Wood–Saxon potential [13], Coulomb and Hartmann potentials [14],. Eckart potential [15,16], Pöschl–Teller potential [17,18] and the harmonic potential [19,20] have been studied within the framework of the spin and ...

Defining Adaptive Leadership in the Context of Mission Command

Science.gov (United States)

2011-06-10

Schreiber. 2006. Complexity leadership theory : An interactive perspective on leading in complex adaptive systems. http://digitalcommons. unl.edu/cgi...Free Press. Schneider, Marguerite, and Mark Somers, Organizations as complex adaptive systems: Implications of complexity theory for leadership ...12 December 2010). Uhl-Bien, Mary, Russ Marion, and Bill McKelvey. Complexity leadership theory : Shifting leadership from the industrial age to the

Incompressible ionized non-Newtonean fluid mixtures

Czech Academy of Sciences Publication Activity Database

Roubíček, Tomáš

2007-01-01

Roč. 39, č. 3 (2007), s. 863-890 ISSN 0036-1410 Grant - others:GA ČR(CZ) GA201/06/0352 Institutional research plan: CEZ:AV0Z10750506 Keywords : chemically reacting fluids * Eckart-Prigogine concept * Navier-Stokes equation * Nernst-Planck equation * Poisson equation * heat equation Subject RIV: BA - General Mathematics Impact factor: 1.119, year: 2007

Rate coefficients for hydrogen abstraction reaction of pinonaldehyde

Indian Academy of Sciences (India)

The H abstraction reaction from the –CHO group was found to be the most dominant reaction channelamong all the possible reaction pathways and its corresponding rate coefficient at 300 K is kEckart's unsymmetrical= 3.86 ×10-10 cm3 molecule-1 s-1. Whereas the channel with immediate lower activation energy is the ...

Relativistic Boltzmann theory for a plasma. II

International Nuclear Information System (INIS)

Erkelens, H. van; Leeuwen, W.A. van

1977-01-01

The linear or phenomenological laws such as Ohm's law, Fourier's law and Fick's law are derived for a relativistic plasma in an electromagnetic field. It is shown that the choice of a reference frame as proposed by Landau and Lifshitz entails - in contrast to, for instance, the choice of Eckart - the validity of Onsager's reciprocity relations. (Auth.)

Mesenchymal Stem Cells for the Prevention of Acute Respiratory Distress Syndrome after Pulmonary Contusion and Hemorrhagic Shock

Science.gov (United States)

2017-10-01

Contusion and Hemorrhagic Shock PRINCIPAL INVESTIGATOR: Martin Schreiber, MD CONTRACTING ORGANIZATION: Oregon Health & Science University Portland, OR...PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Oregon Health & Science University 3181 SW Sam Jackson Park Road, Portland, OR 97239 Blood Systems...extubated the animals was not logistically or physically feasible. To improve the welfare of the animal and consistency in the model, we revised our model

Kognitive Prozesse der Adressatenantizipation beim Schreiben

OpenAIRE

Linnemann, Markus

2014-01-01

Im Fokus dieser Untersuchung stand die Textproduktion aus kognitiver Sicht. Diese umfasst im Wesentlichen vier Wissensbereiche. Neben dem thematischen und linguistischen Wissen, widmete sich die Arbeit vor allem dem pragmatischen, insbesondere dem Adressatenwissen und den dazugehörenden Prozessen. Es wurde dargestellt, dass der Adressat aufgrund seiner räumlichen und zeitlichen Distanz vom Schreiber antizipiert werden muss, wenn er erfolgreich kommunizieren will. Adressatenantizipation wurde ...

Wilfried Uitterhoeve, Koning, keizer, admiraal. 1810. De ondergang van het Koningkrijk Holland

OpenAIRE

Antoine, François

2012-01-01

En 2013, les Pays-­­­Bas connaî­­tront une vaste marée orange mar­­quant le bicen­­te­­naire du retour d’exil du prince Guillaume d’Orange. Ce der­­nier prit dans un pre­­mier temps le titre de « Prince sou­­ve­­rain des Pays-­­­Bas » pour se trans­­for­­mer le 16 mars 1815 en celui de roi des Pays-­­­Bas afin d’anti­­ci­­per le retour de Napo­­léon débar­­qué le 1er mars à Golfe-­­­Juan. Depuis l’orange se confond avec les cou­­leurs natio­­nales néer­­lan­­daises et bon nombre de Néer­­lan­...

Generalized isobaric multiplet mass equation and its application to the Nolen-Schiffer anomaly

Science.gov (United States)

Dong, J. M.; Zhang, Y. H.; Zuo, W.; Gu, J. Z.; Wang, L. J.; Sun, Y.

2018-02-01

The Wigner isobaric multiplet mass equation (IMME) is the most fundamental prediction in nuclear physics with the concept of isospin. However, it was deduced based on the Wigner-Eckart theorem with the assumption that all charge-violating interactions can be written as tensors of rank two. In the present work, the charge-symmetry breaking (CSB) and charge-independent breaking (CIB) components of the nucleon-nucleon force, which contribute to the effective interaction in nuclear medium, are established in the framework of Brueckner theory with AV18 and AV14 bare interactions. Because such charge-violating components can no longer be expressed as an irreducible tensor due to density dependence, its matrix element cannot be analytically reduced by the Wigner-Eckart theorem. With an alternative approach, we derive a generalized IMME (GIMME) that modifies the coefficients of the original IMME. As the first application of GIMME, we study the long-standing question of the origin of the Nolen-Schiffer anomaly (NSA) found in the Coulomb displacement energy of mirror nuclei. We find that the naturally emerged CSB term in GIMME is largely responsible for explaining the NSA.

Bits or Shots in Combat? The Generalized Deitchman Model of Guerrilla Warfare

Science.gov (United States)

2013-08-13

fire; absence of intelligence leads to unaimed fire, dependent on targets’ density. We propose a new Lanchester -type model that mixes aimed and unaimed...military hardware. The idea of modeling the trade-off between firepower and intelligence in a Lanchester setting was first suggested by Schreiber [4...of intelligence leads to unaimed fire, dependent on targets? density. We propose a new Lanchester -type model that mixes aimed and unaimed fire, the

Theory of the unitary representations of compact groups

International Nuclear Information System (INIS)

Burzynski, A.; Burzynska, M.

1979-01-01

An introduction contains some basic notions used in group theory, Lie group, Lie algebras and unitary representations. Then we are dealing with compact groups. For these groups we show the problem of reduction of unitary representation of Wigner's projection operators, Clebsch-Gordan coefficients and Wigner-Eckart theorem. We show (this is a new approach) the representations reduction formalism by using superoperators in Hilbert-Schmidt space. (author)

Metal Organic Framework-Metal Oxide Composites for Toxic Gas Adsorption and Sensing

Science.gov (United States)

2014-05-01

Granato, T.; Testa, F.; Olivo, R. Microporous Mesoporous Mat. 2012, 153, 236. 39 (5) Stavila, V.; Volponi, J.; Katzenmeyer, A. M.; Dixon, M. C...Yoo, Y.; Lai, Z. P.; Jeong, H. K. Microporous Mesoporous Mat. 2009, 123, 100. (12) Shekhah, O.; Wang, H.; Kowarik, S.; Schreiber, F.; Paulus, M...Jiao, Z.; Wu, M. H.; Zhao, B. J. Power Sources 2010, 195, 2950. (23) Bhagiyalakshmi, M.; Lee, J. Y.; Jang, H. T. International Journal of Greenhouse

Acoustofluidics 14: Applications of acoustic streaming in microfluidic devices.

Science.gov (United States)

Wiklund, Martin; Green, Roy; Ohlin, Mathias

2012-07-21

In part 14 of the tutorial series "Acoustofluidics--exploiting ultrasonic standing wave forces and acoustic streaming in microfluidic systems for cell and particle manipulation", we provide a qualitative description of acoustic streaming and review its applications in lab-on-a-chip devices. The paper covers boundary layer driven streaming, including Schlichting and Rayleigh streaming, Eckart streaming in the bulk fluid, cavitation microstreaming and surface-acoustic-wave-driven streaming.

Gradient formula for the four-dimensional hyperspherical harmonics

International Nuclear Information System (INIS)

Santos, M.B.

1975-01-01

The gradient formula for the hyperspherical harmonics in 4 dimensions is derived, a result which is here obtainned in two distinct ways: either by differentiation of a closed expression for the hyperspherical harmonics or by making use of the Wigner-Eckart theorem for the R 4 group. The result is useful for physical applications in view of the significance of the R 4 group in several physical problems [pt

Bulk viscous matter and recent acceleration of the universe based on causal viscous theory

Energy Technology Data Exchange (ETDEWEB)

Mohan, N.D.J.; Sasidharan, Athira; Mathew, Titus K. [Cochin University of Science and Technology, Department of Physics, Kochi (India)

2017-12-15

The evolution of the bulk viscous matter dominated universe has been analysed using the full causal theory for the evolution of the viscous pressure in the context of the recent acceleration of the universe. The form of the viscosity is taken as ξ = αρ{sup 1/2}. We obtained analytical solutions for the Hubble parameter and scale factor of the universe. The model parameters have been computed using the observational data. The evolution of the prominent cosmological parameters was obtained. The age of the universe for the best estimated model parameters is found to be less than observational value. The viscous matter behaves like a stiff fluid in the early phase and evolves to a negative pressure fluid in the later phase. The equation of state is found to be stabilised with value ω > -1. The local as well as generalised second law of thermodynamics is satisfied. The statefinder diagnostic shows that this model is distinct from the standard ΛCDM. One of the marked deviations seen in this model to be compared with the corresponding model using the Eckart approach is that in this model the bulk viscosity decreases with the expansion of the universe, while in the Eckart formalism it increases from negative values in the early universe towards positive values. (orig.)

Bulk viscous matter and recent acceleration of the universe based on causal viscous theory

International Nuclear Information System (INIS)

Mohan, N.D.J.; Sasidharan, Athira; Mathew, Titus K.

2017-01-01

The evolution of the bulk viscous matter dominated universe has been analysed using the full causal theory for the evolution of the viscous pressure in the context of the recent acceleration of the universe. The form of the viscosity is taken as ξ = αρ 1/2 . We obtained analytical solutions for the Hubble parameter and scale factor of the universe. The model parameters have been computed using the observational data. The evolution of the prominent cosmological parameters was obtained. The age of the universe for the best estimated model parameters is found to be less than observational value. The viscous matter behaves like a stiff fluid in the early phase and evolves to a negative pressure fluid in the later phase. The equation of state is found to be stabilised with value ω > -1. The local as well as generalised second law of thermodynamics is satisfied. The statefinder diagnostic shows that this model is distinct from the standard ΛCDM. One of the marked deviations seen in this model to be compared with the corresponding model using the Eckart approach is that in this model the bulk viscosity decreases with the expansion of the universe, while in the Eckart formalism it increases from negative values in the early universe towards positive values. (orig.)

Simulation 󈨔 Symposium.

Science.gov (United States)

1980-11-21

Chemical Process 8:10 - 8:30 p.m. F.J. Pasveer / J.N. van der Molen / J.J. de Kramer (The Netherlands) Diffusion Flow through Irregular Dhaped Pores 8:30...Cycloconverter Including Control and Firing Devices 11:30 - 11:50 a.m. G. Lekkas (Switzerland) Simulation einer Stromrichterlokomotive zur Bestimmung der ...Schreiber / A. Schr~ der (FRG) Modeling and Simulation of Urban Sewer Systems(Double length key paper) 2:40 3:00 p.m. R. Laurent / M. Barboucha (France

A new cross-effect in local relativistic thermodynamics of irreversible processes

International Nuclear Information System (INIS)

Gariel, J.

1981-01-01

It is shown that the supplementary term qsup(α)usub(α) which appears in the caloric conducting fluid Eckart's theory (where qsup(α) is the derivative by the curvilinear absciss of the calorific conduction density and usub(α) the local unitary speed) states a thermodynamics construction problem. We can solve this one by admitting the existence of a new relativistic 'thermokinetic' cross-effect, which leads to the relativistic Fourier's hypothesis of Pham Mau Quan [fr

Dissipative effects in Friedmann universes

International Nuclear Information System (INIS)

Lima, J.A.S. de; Waga, I.

1988-01-01

The relationship between the the different temperatures present in a radiative plasma is examined. In particular, the physical and the operational meanings of Eckart's temperature are discussed. An entropy density formula for the radiative component and its fractional rate are derived. We have also suggested a reformulation of Weinberg's conditions for maximum entropy production. The effect of radiative bulk viscosity in diluting monopoles in the very early universe is estimated. (author) [pt

We can still get out

International Nuclear Information System (INIS)

Bach, W.

1986-01-01

The book contains the complete scenario on the nuclear power phase-out written by the Hessian Minister of Environment and Energy, Joschka Fischer, and comments. Both the scenarios and the articles written by Wilfried Bach, Hermann Boemer, and Harry Kunz disprove the statement of a phase-out of nuclear power in the Federal Republic of Germany presently being impossible or at least connected with considerable disadvantages. The book proves: The phase-out is urgently necessary and possible, also immediately. It can take place without negatively affecting the energy supply. Negative consequences for the labour market can also be avoided. And as for costs and risk: the faster the phase-out begins, the lower are the costs and risks. (orig.) [de

Tank 241-SX-105 rotary mode core sampling and analysis plan

International Nuclear Information System (INIS)

Simpson, B.C.

1998-01-01

This sampling and analysis plan (SAP) identifies characterization objectives pertaining to sample collection, laboratory analytical evaluation, and reporting requirements for rotary mode core samples from tank 241-SX-105 (SX-105). It is written in accordance with Tank Safety Screening Data Quality Objective (Dukelow et al. 1995) and Memorandum of Understanding for the Organic Complexant Safety Issue Data Requirements (Schreiber 1997a). Vapor screening issues apply as well, but are outside the scope of this SAP. A physical profile prediction based on waste fill history and previous sampling information is provided in Appendix A. Prior to core sampling, the dome space (below the riser) shall be measured for the presence of flammable gases. The measurement shall be taken from within the dome space and the data reported as a percentage of the lower flammability limit (LFL). The results shall be transmitted to the tank coordinator within ten working days of the sampling event (Schreiber 1997b). If the results are above 25 percent of the LFL when analyzing by gas chromatography/mass spectrometry or gas-specific monitoring gauges or above 10% of the LFL when analyzing with a combustible gas meter, the necessity for recurring sampling for flammable gas concentration and the frequency of such sampling will be determined by the Flammable Gas Safety Project. Any additional vapor sampling is not within the scope of this SAP

Analytical realization of finite-size scaling for Anderson localization. Does the band of critical states exist for d > 2?

International Nuclear Information System (INIS)

Suslov, I. M.

2006-01-01

An analytical realization is suggested for the finite-size scaling algorithm based on the consideration of auxiliary quasi-1D systems. Comparison of the obtained analytical results with the results of numerical calculations indicates that the Anderson transition point splits into the band of critical states. This conclusion is supported by direct numerical evidence (Edwards, Thouless, 1972; Last, Thouless, 1974; Schreiber, 1985). The possibility of restoring the conventional picture still exists but requires a radical reinterpretation of the raw numerical data

Examining Wari influence in the Las Trancas Valley, Peru using oxygen isotopes from bone carbonate

OpenAIRE

Henry, Erin-Marie Lelik

2008-01-01

The Nasca region of the Las Trancas Valley in south coastal Peru is considered to be one of several peripheral regions which were influenced by the highland Wari empire during the Middle Horizon (750-1000 AD). They are thought to have had socioeconomic and political ties with the neighboring empire. The Wari are considered to be one of the first expansive states that developed in the Andean region (Schreiber, 1992; 1999). The extent of Wari control based on archaeological evidence and diet re...

VizieR Online Data Catalog: Monochromatic conversion factors to LIR & Mdust (Schreiber+, 2018)

Science.gov (United States)

Schreiber, C.; Elbaz, D.; Pannella, M.; Wang, T.; Ciesla, L.; Franco, M.

2017-10-01

These tables contain conversion factors to translate observed fluxes (Sν) or luminosities (ν*Lν) into total infrared luminosity (LIR) and dust mass (Mdust). The conversion factors are provided for the most commonly used ALMA bands (Band 3 to Band 9) and all JWST MIRI broad bands (F777W to F2550W). These factors are tabulated as a function of redshift. For each conversion factor, the tables also provide the logarithmic uncertainty on the conversion (in dex), which reflects the diversity in spectral shape. These data were calibrated on the deep Spitzer and Herschel observations of the CANDELS fields, as well as early ALMA observations. They are therefore valid for galaxies of masses close to 1010Mȯ and above. (3 data files).

Controlling acoustic streaming in an ultrasonic heptagonal tweezers with application to cell manipulation.

Science.gov (United States)

Bernassau, A L; Glynne-Jones, P; Gesellchen, F; Riehle, M; Hill, M; Cumming, D R S

2014-01-01

Acoustic radiation force has been demonstrated as a method for manipulating micron-scale particles, but is frequently affected by unwanted streaming. In this paper the streaming in a multi-transducer quasi-standing wave acoustic particle manipulation device is assessed, and found to be dominated by a form of Eckart streaming. The experimentally observed streaming takes the form of two main vortices that have their highest velocity in the region where the standing wave is established. A finite element model is developed that agrees well with experimental results, and shows that the Reynolds stresses that give rise to the fluid motion are strongest in the high velocity region. A technical solution to reduce the streaming is explored that entails the introduction of a biocompatible agar gel layer at the bottom of the chamber so as to reduce the fluid depth and volume. By this means, we reduce the region of fluid that experiences the Reynolds stresses; the viscous drag per unit volume of fluid is also increased. Particle Image Velocimetry data is used to observe the streaming as a function of agar-modified cavity depth. It was found that, in an optimised structure, Eckart streaming could be reduced to negligible levels so that we could make a sonotweezers device with a large working area of up to 13 mm × 13 mm. Copyright © 2013 Elsevier B.V. All rights reserved.

Table Tennis Club

CERN Multimedia

Table Tennis Club

2012-01-01

The CERN Table Tennis club and the Meyrin CTT are organizing two Table Tennis workshops from 2 to 6 July and from 20 to 24 August 2012 inclusive in Meyrin. A professional would be with your children from 14.00 pm to 18.00 pm: an instructor J + S category A. Training courses with specific themes, individual courses would be given depending on the level of the child’s game, “discoveries –table tennis games” courses and games with the robot. Other activities (stretching, relaxation). Afternoons (from 18 to 20 children): 40 CHF per workshop and per child. Evenings (from 18 to 20 adults): 60 CHF per workshop and per adult. For further information, please contact Mr. Monteil : Mobile: (+33) 06 61 31 70 47 E-mail: wilfried.monteil@free.fr.

Ideengeschichte der Physik

CERN Document Server

Kuhn, Wildfried

2016-01-01

Die Ideengeschichte der Physik geht neue Wege, indem sie den umfangreichen historischen Stoff nicht additiv darstellt, sondern wissenschaftstheoretisch reflektiert und nach thematischen Leitlinien (Materievorstellungen, Raum und Zeit, Erhaltungskonzepte, Extremalprinzipien, Theorie und Experiment) strukturiert. Damit vermittelt diese Darstellung im historischen Kontext ein tieferes Verständnis des physikalischen Denkens von der Antike bis heute und lotet zugleich die Dimension der Genesis physikalischer Begriffe aus, die in modernen Lehrbüchern zumeist nicht dargelegt wird. Das Credo Kuhns: Wer über die handwerkliche Handhabung von Physik hinausgehen will, muss sich zwingend mit der Frage befassen, was physikalisches Denken ausmacht und wie es entstanden ist. Die vorliegende zweite Auflage wurde ergänzt durch ein Vorwort von Prof. Dr. Oliver Schwarz, der im Institut Wilfried Kuhns forschen konnte und dabei dessen Denk- und Arbeitsweisen kennengelernt hat.

Relativistic Hydrodynamics of Color-Flavor Locking Phase with Spontaneous Symmetry Breaking

Institute of Scientific and Technical Information of China (English)

ZHANG Sun; WANG Fan

2004-01-01

We study the hydrodynamics of color-flavor locking phase of three flavors of light quarks in high density QCD with spontaneous symmetry breaking. The basic hydrodynamic equations are presented based on the Poisson bracket method and the Goldstone phonon and the thermo phonon are compared. The dissipative equations are constructed in the frame of the first-order theory and all the transport coefficients are also defined, which could be looked on as the general case including the Landau's theory and the Eckart's theory

Mode-Selective Amplification in a Large Mode Area Yb-Doped Fiber Using a Photonic Lantern

Science.gov (United States)

2016-05-15

Montoya , C. Aleshire, C. Hwang, N. K. Fontaine, A. Velázquez- Benítez, D. H . Martz, T. Y. Fan, and D. Ripin, Opt. Express 24, 3405 (2016). 23. A. M...Stutzki, F. Jansen, H . J. Otto, O. Schmidt, T. Schreiber, J. Limpert, and A. Tünnermann, Opt. Express 19, 13218 (2011). 6. C. Jauregui, H . J. Otto, F...Express 21, 1944 (2013). 8. A. Smith and J. Smith, Opt. Express 19, 10180 (2011). 9. H . J. Otto, C. Jauregui, F. Stutzki, F. Jansen, J. Limpert, and A

Reaction rate calculations via transmission coefficients

International Nuclear Information System (INIS)

Feit, M.D.; Alder, B.J.

1985-01-01

The transmission coefficient of a wavepacket traversing a potential barrier can be determined by steady state calculations carried out in imaginary time instead of by real time dynamical calculations. The general argument is verified for the Eckart barrier potential by a comparison of transmission coefficients calculated from real and imaginary time solutions of the Schroedinger equation. The correspondence demonstrated here allows a formulation for the reaction rate that avoids difficulties due to both rare events and explicitly time dependent calculations. 5 refs., 2 figs

47{sup th} Annual meeting on nuclear technology (AMNT 2016). Key Topic / Outstanding know-how and sustainable excellence. Workshop: Preserving competence in nuclear technology

Energy Technology Data Exchange (ETDEWEB)

Steinwarz, Wolfgang

2016-10-15

On the 18{sup th} workshop Preserving Competence in Nuclear Technology 24 young scientists presented the scientific results from their work covering a broad spectrum of technical areas. This demonstrated again the strong engagement of the younger generation as part of the German nuclear society. Prof.Dr.-Ing. Eckart Laurin, Prof.Dr.-Ing. Marco K. Koch, Dr. Katharina Stummeyer, and Dr.-Ing. Wolfgang Steinwarz as members of the jury assessed the written compacts and the oral presentations to award the Siempelkamp Competence Price 2016 to Andreas Wanninger from Technische Universitaet Muenchen.

47th Annual meeting on nuclear technology (AMNT 2016). Key Topic / Outstanding know-how and sustainable excellence. Workshop: Preserving competence in nuclear technology

International Nuclear Information System (INIS)

Steinwarz, Wolfgang

2016-01-01

On the 18 th workshop Preserving Competence in Nuclear Technology 24 young scientists presented the scientific results from their work covering a broad spectrum of technical areas. This demonstrated again the strong engagement of the younger generation as part of the German nuclear society. Prof.Dr.-Ing. Eckart Laurin, Prof.Dr.-Ing. Marco K. Koch, Dr. Katharina Stummeyer, and Dr.-Ing. Wolfgang Steinwarz as members of the jury assessed the written compacts and the oral presentations to award the Siempelkamp Competence Price 2016 to Andreas Wanninger from Technische Universitaet Muenchen.

Emergent universe model with dissipative effects

Science.gov (United States)

Debnath, P. S.; Paul, B. C.

2017-12-01

Emergent universe model is presented in general theory of relativity with isotropic fluid in addition to viscosity. We obtain cosmological solutions that permit emergent universe scenario in the presence of bulk viscosity that are described by either Eckart theory or Truncated Israel Stewart (TIS) theory. The stability of the solutions are also studied. In this case, the emergent universe (EU) model is analyzed with observational data. In the presence of viscosity, one obtains emergent universe scenario, which however is not permitted in the absence of viscosity. The EU model is compatible with cosmological observations.

Coordenadas cartesianas moleculares a partir da geometria dos modos normais de vibração Molecular cartesian coordinates from vibrational normal modes geometry

Directory of Open Access Journals (Sweden)

Emílio Borges

2007-04-01

Full Text Available A simple method to obtain molecular Cartesian coordinates as a function of vibrational normal modes is presented in this work. The method does not require the definition of special matrices, like the F and G of Wilson, neither of group theory. The Eckart's conditions together with the diagonalization of kinetic and potential energy are the only required expressions. This makes the present approach appropriate to be used as a preliminary study for more advanced concepts concerning vibrational analysis. Examples are given for diatomic and triatomic molecules.

Science.gov (United States)

Fridman, Wolf Hervé

2016-11-01

HISTORY OF IMMUNOTHERAPY. PARADIGM CHANGE?: Born at the dawn of the 20th century with W.B. Coley's intratumoral injections of bacteria, cancer immunotherapy was built on the corpus of the immune surveillance theory in 1957, modified by R.D. Schreiber in 2004. Scientific knowledge and technological advances have allowed it to become efficacious and to expand in the 21st century as the 4th and most important pillar of cancer treatment. © 2016 Société Française du Cancer. Publié par Elsevier Masson SAS. Tous droits réservés.

Cosmological QCD phase transition in steady non-equilibrium dissipative Hořava–Lifshitz early universe

International Nuclear Information System (INIS)

Khodadi, M.; Sepangi, H.R.

2014-01-01

We study the phase transition from quark–gluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about 1–10 μs old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Hořava–Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann–Robertson–Walker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Hořava–Lifshitz gravity, λ, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature T, scale factor a, deceleration parameter q and dimensionless ratio of the bulk viscosity coefficient to entropy density (ξ)/s . We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively. -- Highlights: •In this paper we have studied quark–hadron phase transition in the early universe in the context of the Hořava–Lifshitz model. •We use a flat FRW universe with the bulk viscosity cosmological background fluid obeying the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively

The effect of solvation on the radiation damage rate constants for adenine

DEFF Research Database (Denmark)

Milhøj, Birgitte Olai; Sauer, Stephan P. A.

2016-01-01

in calculations of Gibbs free energies and reaction rates for the reaction between the OH radical and the DNA nucleobase adenine using Density Functional Theory at the ωB97X-D/6-311++G(2df,2pd) level with the Eckart tunneling correction. The solvent, water, has been included through either the implicit...... polarizable continuum model (PCM) or through explicit modelling of micro-solvation by a single water molecule at the site of reaction as well as the combination of both. Scrutiny of the thermodynamics and kinetics of the individual sub-reactions suggests that the qualitative differences introduced...

Performance testing of the sediment-contaminant transport model, SERATRA, at different rivers

International Nuclear Information System (INIS)

Onishi, Y.; Yabusaki, S.B.; Kincaid, C.T.

1982-04-01

Mathematical models of sediment-contaminant migration in surface water must account for transport, intermedia transfer, decay and degradation, and transformation processes. The unsteady, two dimensional, sediment-contaminant transport code, SERATRA (Onishi, Schreiber and Codell 1980) includes these mechanisms. To assess the accuracy of SERATRA to simulate the sediment-contaminant transport and fate processes, the code was tested against one-dimensional analytical solutions, checked for its mass balance, and applied to field sites. The field application cases ranged from relatively simple, steady conditions to unsteady, nonuniform conditions for large, intermediate, and small rivers. It was found that SERATRA is capable of simulating sediment-contaminant transport under a wide range of conditions

SuchThatCast Episode 11: Selmer Bringsjord, Gregory Chaitin, Mariarosaria Taddeo & Wilfried Sieg LIVE@ICAP'14

NARCIS (Netherlands)

Soraker, Johnny

2014-01-01

This episode is recorded live in front of an audience at the International Association for Computing and Philosophy (IACAP) 2014 conference in Thessaloniki, Greece. The guests are four of the most interesting participants at that conference: Selmer Bringsjord, Gregory Chaitin, Mariarosaria Taddeo

Hydrology

Science.gov (United States)

Brutsaert, Wilfried

2005-08-01

Water in its different forms has always been a source of wonder, curiosity and practical concern for humans everywhere. Hydrology - An Introduction presents a coherent introduction to the fundamental principles of hydrology, based on the course that Wilfried Brutsaert has taught at Cornell University for the last thirty years. Hydrologic phenomena are dealt with at spatial and temporal scales at which they occur in nature. The physics and mathematics necessary to describe these phenomena are introduced and developed, and readers will require a working knowledge of calculus and basic fluid mechanics. The book will be invaluable as a textbook for entry-level courses in hydrology directed at advanced seniors and graduate students in physical science and engineering. In addition, the book will be more broadly of interest to professional scientists and engineers in hydrology, environmental science, meteorology, agronomy, geology, climatology, oceanology, glaciology and other earth sciences. Emphasis on fundamentals Clarification of the underlying physical processes Applications of fluid mechanics in the natural environment

ΛCDM model with dissipative nonextensive viscous dark matter

Science.gov (United States)

Gimenes, H. S.; Viswanathan, G. M.; Silva, R.

2018-03-01

Many models in cosmology typically assume the standard bulk viscosity. We study an alternative interpretation for the origin of the bulk viscosity. Using nonadditive statistics proposed by Tsallis, we propose a bulk viscosity component that can only exist by a nonextensive effect through the nonextensive/dissipative correspondence (NexDC). In this paper, we consider a ΛCDM model for a flat universe with a dissipative nonextensive viscous dark matter component, following the Eckart theory of bulk viscosity, without any perturbative approach. In order to analyze cosmological constraints, we use one of the most recent observations of Type Ia Supernova, baryon acoustic oscillations and cosmic microwave background data.

Rayleigh-Brillouin spectrum in special relativistic hydrodynamics

International Nuclear Information System (INIS)

Garcia-Perciante, A. L.; Garcia-Colin, L. S.; Sandoval-Villalbazo, A.

2009-01-01

In this paper we calculate the Rayleigh-Brillouin spectrum for a relativistic simple fluid according to three different versions available for a relativistic approach to nonequilibrium thermodynamics. An outcome of these calculations is that Eckart's version predicts that such spectrum does not exist. This provides an argument to question its validity. The remaining two results, which differ one from another, do provide a finite form for such spectrum. This raises the rather intriguing question as to which of the two theories is a better candidate to be taken as a possible version of relativistic nonequilibrium thermodynamics. The answer will clearly require deeper examination of this problem.

O BSC COMO SUPORTE NO DIAGNÓSTICO ORGANIZACIONAL DE GESTÃO DO CONHECIMENTO PROPOSTO PELO COMMONKADS: POSSIBILIDADES E PONTOS CRÍTICOS

Directory of Open Access Journals (Sweden)

Cláudia V. Viegas

2006-08-01

Full Text Available O CommonKADS, modelo de Engenharia e Gestão do Conhecimento desenvolvido por Schreiber et al. (2002, concebe o conhecimento em relação ao propósito e ao contexto, focado na ação. Nesse sentido, atesta que entre os benefícios esperados de um sistema de conhecimento estão o aumento da rapidez e a melhoria da qualidade na tomada de decisão. No entanto, apresenta pouco suporte quanto a mensurações em seus passos iniciais, voltados à definição dos modelos da organização, do agente e da tarefa. Por isso, o presente artigo propõe a utilização do Balanced Scorecard (BSC - um sistema de avaliação de desempenho formulado por Kaplan e Norton (1997 que busca o equilíbrio entre indicadores financeiros e não-financeiros - como apoio às etapas iniciais do CommonKADS. Supõe-se que o BSC, por estar relacionado aos processos de formulação e implementação de estratégias necessárias à tomada de decisão, possa contemplar mais detalhadamente os propósitos preliminares do CommonKADS. O artigo também leva em consideração abordagens críticas ao BSC e a sua relação com a Gestão do Conhecimento, incorporando-as para atender de modo mais adequado a proposta de integração entre este sistema e o CommonKADS, concebido por Schreiber et al. (2002. Palavras-chave: CommonKADS. Balanced Scorecard. Gestão do Conhecimento. Estratégia.

Absorption Spectrum and Density of States of Square, Rectangular, and Triangular Frenkel Exciton Systems with Gaussian Diagonal Disorder

Directory of Open Access Journals (Sweden)

Ibrahim Avgin

2017-01-01

Full Text Available Using the coherent potential approximation, we investigate the effects of disorder on the optical absorption and the density of states of Frenkel exciton systems on square, rectangular, and triangular lattices with nearest-neighbor interactions and a Gaussian distribution of transition energies. The analysis is based on an elliptic integral approach that gives results over the entire spectrum. The results for the square lattice are in good agreement with the finite-array calculations of Schreiber and Toyozawa. Our findings suggest that the coherent potential approximation can be useful in interpreting the optical properties of two-dimensional systems with dominant nearest-neighbor interactions and Gaussian diagonal disorder provided the optically active states are Frenkel excitons.

Serogroups and antimicrobial susceptibility among Escherichia coli isolated from farmed mink (Mustela vison Schreiber) in Denmark

DEFF Research Database (Denmark)

Vulfson, L.; Pedersen, Karl; Chriel, M.

2001-01-01

Escherichia coli is commonly found in outbreaks of diarrhoea in mink during the production season although its role as a primary causal organism remains unclear. The present study was undertaken to determine the serogroups and antimicrobial susceptibility of E. coli isolates from healthy and diar......Escherichia coli is commonly found in outbreaks of diarrhoea in mink during the production season although its role as a primary causal organism remains unclear. The present study was undertaken to determine the serogroups and antimicrobial susceptibility of E. coli isolates from healthy...... diseased. All isolates were serotyped and MICs were determined for nine antimicrobial compounds. Non-haemolytic isolates numbered 147, whereas 63 were haemolytic. Both haemolytic and non-haemolytic isolates were isolated from both healthy and diseased animals. A wide range of serogroups was detected...... among the six mink farms, for tetracycline (0-16.4%. average 21.9), ampicillin (2.9-50.0%. average 23.3), spectinomycin (8.0-35.7%. average 21.9), sulfamethoxazole (8.6-57.7%. average 30.0) and trimethoprim (0-35.7%. average 9.5). Resistance to tetracycline was statistically more prevalent among...

Improved multidimensional semiclassical tunneling theory.

Science.gov (United States)

Wagner, Albert F

2013-12-12

We show that the analytic multidimensional semiclassical tunneling formula of Miller et al. [Miller, W. H.; Hernandez, R.; Handy, N. C.; Jayatilaka, D.; Willets, A. Chem. Phys. Lett. 1990, 172, 62] is qualitatively incorrect for deep tunneling at energies well below the top of the barrier. The origin of this deficiency is that the formula uses an effective barrier weakly related to the true energetics but correctly adjusted to reproduce the harmonic description and anharmonic corrections of the reaction path at the saddle point as determined by second order vibrational perturbation theory. We present an analytic improved semiclassical formula that correctly includes energetic information and allows a qualitatively correct representation of deep tunneling. This is done by constructing a three segment composite Eckart potential that is continuous everywhere in both value and derivative. This composite potential has an analytic barrier penetration integral from which the semiclassical action can be derived and then used to define the semiclassical tunneling probability. The middle segment of the composite potential by itself is superior to the original formula of Miller et al. because it incorporates the asymmetry of the reaction barrier produced by the known reaction exoergicity. Comparison of the semiclassical and exact quantum tunneling probability for the pure Eckart potential suggests a simple threshold multiplicative factor to the improved formula to account for quantum effects very near threshold not represented by semiclassical theory. The deep tunneling limitations of the original formula are echoed in semiclassical high-energy descriptions of bound vibrational states perpendicular to the reaction path at the saddle point. However, typically ab initio energetic information is not available to correct it. The Supporting Information contains a Fortran code, test input, and test output that implements the improved semiclassical tunneling formula.

Gradient formula for the O(5) is contained inO(3) chain of groups

International Nuclear Information System (INIS)

Castanos, O.; Frank, A.; Moshinsky, M.

1978-01-01

It is well known how to expand in spherical harmonics the gradient of a radial function in turn multiplied by a spherical harmonic. This expansion involves the use of the Wigner--Eckart theorem for the familiar O(3) is contained inO(2) chain of groups, and leads to Wigner coefficients in the formula together with reduced matrix elements which are simple first order differential operators in the radial variable. In the present paper we extend the above analysis to the application of the momentum operator π/sub m/ to functions of the collective coordinates α/sub m/, m=2,1,0,-1,-2 associated with quadrupole vibrations. The spherical harmonics are now replaced by the complete but nonorthonormal set of functions chi/sup lambda//sub s/LM, characterized by the irreducible representations lambda,L,M of the O(5) is contained inO(3) is contained inO(2) chain of groups as well as by an extra labelling index s, that were derived in a previous publication. The application of the gradient to a product of a function F (β), β 2 =Σ/sub m/α/sub m/α/sup m/, by chi/sup lambda//sub s/LM requires an extension of the Wigner--Eckart theorem for the nonorthonormal basis. Results similar to the ones mentioned in the previous paragraph are obtained, though, of course, now we will have Wigner coefficients in the O(5) is contained in (3) is contained inO(2) chain which have already been derived and programmed. With the help of the gradient formula we discuss the effect of the operators [π x π]/sup L//sub m/, L=0,2,4, [α x π]/sup L//sub m/, L=1,3 on basis of the O(5) is contained inO(3) chain of groups and indicate some of their applications

Body frames and frame singularities for three-atom systems

International Nuclear Information System (INIS)

Littlejohn, R.G.; Mitchell, K.A.; Aquilanti, V.; Cavalli, S.

1998-01-01

The subject of body frames and their singularities for three-particle systems is important not only for large-amplitude rovibrational coupling in molecular spectroscopy, but also for reactive scattering calculations. This paper presents a geometrical analysis of the meaning of body frame conventions and their singularities in three-particle systems. Special attention is devoted to the principal axis frame, a certain version of the Eckart frame, and the topological inevitability of frame singularities. The emphasis is on a geometrical picture, which is intended as a preliminary study for the more difficult case of four-particle systems, where one must work in higher-dimensional spaces. The analysis makes extensive use of kinematic rotations. copyright 1998 The American Physical Society

Quantum dynamics modeled by interacting trajectories

Science.gov (United States)

Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

2018-03-01

We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

Dissipative generalized Chaplygin gas as phantom dark energy

International Nuclear Information System (INIS)

Cruz, Norman; Lepe, Samuel; Pena, Francisco

2007-01-01

The generalized Chaplygin gas, characterized by the equation of state p=-A/ρ α , has been considered as a model for dark energy due to its dark-energy-like evolution at late times. When dissipative processes are taken into account, within the framework of the standard Eckart theory of relativistic irreversible thermodynamics, cosmological analytical solutions are found. Using the truncated causal version of the Israel-Stewart formalism, a suitable model was constructed which crosses the w=-1 barrier. The future-singularities encountered in both approaches are of a new type, and not included in the classification presented by Nojiri and Odintsov [S. Nojiri, S.D. Odintsov, Phys. Rev. D 72 (2005) 023003

Dissipative generalized Chaplygin gas as phantom dark energy

Energy Technology Data Exchange (ETDEWEB)

Cruz, Norman [Departamento de Fisica, Facultad de Ciencia, Universidad de Santiago, Casilla 307, Santiago (Chile)]. E-mail: ncruz@lauca.usach.cl; Lepe, Samuel [Instituto de Fisica, Facultad de Ciencias Basicas y Matematicas, Pontificia Universidad Catolica de Valparaiso, Avenida Brasil 2950, Valparaiso (Chile)]. E-mail: slepe@ucv.cl; Pena, Francisco [Departamento de Ciencias Fisicas, Facultad de Ingenieria, Ciencias y Administracion, Universidad de la Frontera, Avda. Francisco Salazar 01145, Casilla 54-D, Temuco (Chile)]. E-mail: fcampos@ufro.cl

2007-03-15

The generalized Chaplygin gas, characterized by the equation of state p=-A/{rho}{sup {alpha}}, has been considered as a model for dark energy due to its dark-energy-like evolution at late times. When dissipative processes are taken into account, within the framework of the standard Eckart theory of relativistic irreversible thermodynamics, cosmological analytical solutions are found. Using the truncated causal version of the Israel-Stewart formalism, a suitable model was constructed which crosses the w=-1 barrier. The future-singularities encountered in both approaches are of a new type, and not included in the classification presented by Nojiri and Odintsov [S. Nojiri, S.D. Odintsov, Phys. Rev. D 72 (2005) 023003].

Re-reading Riegl

Directory of Open Access Journals (Sweden)

Matthew Rampley

2011-12-01

Full Text Available Review of: Peter Noever, Artur Rosenauer and Georg Vasold, eds, Alois Riegl Revisited. Beiträge zu Werk und Rezeption. Contributions to the Opus and its Reception. Vienna: Österreichische Akademie der Wissenschaften, 2010. Michael S. Falser, Wilfried Lipp, Andrzek Tomaszewski, eds, Conservation and Preservation. Interactions between Theory and Practice. In Memoriam Alois Riegl (1858-1905. Proceedings of the International Conference of the ICOMOS International Scientific Committee for the Theory and the Philosophy of Conservation and Restoration, 23-27 April 2008, Vienna. Florence: Polistampa, 2010. This review examines two recent publications concerned with the legacy of Alois Riegl. It considers these books as examples of the changing landscape of Riegl scholarship, in which the traditional concern with issues of methodology (notably the meaning and function of Riegl’s concept of the Kunstwollen has given way to an engagement with his place in the wider cultural and academic politics of the Habsburg Empire. The review examines Riegl’s engagement with disciplines such as national economy, ethnology, Islamic studies and archaeology.

The LHCb magnet design team

CERN Multimedia

Maximilien Brice

2003-01-01

Photos 01, 02: The LHCb magnet is equipped with resistive coils. Having a "warm " rather than a superconducting magnet, as was originally planned, was a design choice advocated by former Technical Coordinator Hans-Jurgen Hilke. Although this solution was adopted to keep the experiment on budget and on schedule, the geometry required and the need for good lateral homogeneity of the magnetic field called for an innovative design, developed by Wilfried Flegel. Jacques André, Claude Rosset and Olivier Jamet were responsible for the working drawings while Marcello Losasso did the 3-D calculations of the magnetic field. The LHCb magnet design team is pictured in front of one of the two magnet coils which recently arrived at CERN. Each coil comprises 15 individual monolayer ´pancakes´ of identical trapezoidal racetrack shape, and is bent at 45 degrees on the two transverse sides. Each pancake consists of 15 turns of conductor, wound from a 300-m length of extruded aluminium. Left to right: Olivier Jamet, Hans-Jur...

Quasi-spin method in the case of j-j coupling in a shell of equivalent atomic electrons

International Nuclear Information System (INIS)

Savichyus, E.G.; Kanyauskas, Yu.M.; Rudzikas, Z.B.

1979-01-01

Mathematical apparatus of the theory of multielectronic atoms and ions in the case of j-j coupling in a shell of equivalent electrons is built. Quasi-spin method is used. The scheme of the investigation is the following: 1. Tensorial properties of the operators in quasi-spin space are considered. 2. Matrix elements of these operators are built and with the help of Wigner-Eckart theorem the dependence of the matrix elements upon the projection, including the quasi-spin projection, of the quantity of electrons in jj-subshell, is determined. 3. Subgenealogical coefficients (genealogical coefficients presented in quasi-spin space) are determined and some of their properties are investigated. The tables of subgenealogical coefficients for j=5/2, 7/2 are presented

Quantum threshold reflection is not a consequence of a region of the long-range attractive potential with rapidly varying de Broglie wavelength

Science.gov (United States)

Petersen, Jakob; Pollak, Eli; Miret-Artes, Salvador

2018-04-01

Quantum threshold reflection is a well-known quantum phenomenon which prescribes that at threshold, except for special circumstances, a quantum particle scattering from any potential, even if attractive at long range, will be reflected with unit probability. In the past, this property had been associated with the so-called badlands region of the potential, where the semiclassical description of the scattering fails due to a rapid spatial variation of the de Broglie wavelength. This badlands region occurs far from the strong interaction region of the potential and has therefore been used to "explain" the quantum reflection phenomenon. In this paper we show that the badlands region of the interaction potential is immaterial. The extremely long wavelength of the scattered particle at threshold is much longer than the spatial extension of the badlands region, which therefore does not affect the scattering. For this purpose, we review and generalize the proof for the existence of quantum threshold reflection to stress that it is only a consequence of continuity and boundary conditions. The nonlocal character of the scattering implies that the whole interaction potential is involved in the phenomenon. We then provide a detailed numerical study of the threshold scattering of a particle by a Morse potential and an Eckart potential, especially in the time domain. We compare exact quantum computations with incoherent results obtained from a classical Wigner approximation. This study shows that close to threshold the time-dependent amplitude of the scattered particle is negligible in the badlands region and is the same whether the potential has a reflecting wall as in the Morse potential or a steplike structure as in the Eckart smooth step potential. The mean flight time of the particle is not shortened due to a local reflection from the badlands region or due to the lower density of the wave function at short distances. This study should serve to definitely rule out the

Causal dissipation for the relativistic dynamics of ideal gases.

Science.gov (United States)

Freistühler, Heinrich; Temple, Blake

2017-05-01

We derive a general class of relativistic dissipation tensors by requiring that, combined with the relativistic Euler equations, they form a second-order system of partial differential equations which is symmetric hyperbolic in a second-order sense when written in the natural Godunov variables that make the Euler equations symmetric hyperbolic in the first-order sense. We show that this class contains a unique element representing a causal formulation of relativistic dissipative fluid dynamics which (i) is equivalent to the classical descriptions by Eckart and Landau to first order in the coefficients of viscosity and heat conduction and (ii) has its signal speeds bounded sharply by the speed of light. Based on these properties, we propose this system as a natural candidate for the relativistic counterpart of the classical Navier-Stokes equations.

Conference on offshore wind energy in France and Germany: challenges of a promising segment

International Nuclear Information System (INIS)

Chrupek, Thierry; Falk, Thorsten; Hofmann, Stefanie; Gouverneur, Philippe; Le Visage, Christophe; Saint Martin, Gro de; Meyerjuergens, Tim; Dachicourt, Pierre-Georges; Hube, Wilfried

2008-01-01

The French-German office for Renewable energies (OFAEnR) organised a conference on the development of offshore wind energy in France and Germany. In the framework of this French-German exchange of experience, more than 100 participants exchanged views on offshore wind energy development, and on the conflicts of usage between fishermen and offshore wind farms. This document brings together the available presentations (slides) made during this event: 1 - Offshore wind energy development in France (Thierry Chrupek); 2 - Present day situation of offshore wind energy development and use in Germany (Thorsten Falk); 3 - Risks and profitability of offshore wind energy (Philippe Gouverneur); 4 - Sea and shore integrated management: what impacts for offshore wind energy? (Christophe Le Visage); 5 - Towards and offshore grid? (Gro de Saint Martin); 6 - Grid connection of offshore wind farms in Germany (Tim Meyerjuergens); 7 - Conflicts of usage between professional fishing and offshore wind farms (Pierre-Georges Dachicourt); 8 - Ecological evaluative research for the use of offshore wind energy - Advantages, projects and studies. Environmental follow-up of wind energy projects (Stefanie Hofmann); 9 - Alpha Ventus offshore test park: context, progress of the installation and next steps (Wilfried Hube)

The Atmospheric Oxidation of Volatile Organic Compounds Through Hydrogen Shift Reactions

DEFF Research Database (Denmark)

Knap, Hasse Christian

a radical is denoted as a H-shift reaction. Quantum chemical calculations were carried out to investigate the potential energy surface of the H-shift reactions and the subsequent decomposition pathways. The transition state theory including the Eckart quantum tunneling correction have been used to calculate...... the reaction rate constants of the H-shift reactions. The autoxidation of volatile organic compounds is an important oxidation mechanism that produces secondary organic aerosols (SOA) and recycles hydroxyl (OH) radicals. The autoxidation cycle produces a second generation peroxy radical (OOQOOH) through...... a series of H-shift reactions and O2 attachments. I have investigated the H-shift reactions in two OOQOOH radicals (hydroperoxy peroxy radicals and hydroperoxy acyl peroxy radicals). The H-shift reaction rate constants have been compared with the bimolecular reaction rate constants of the peroxy radicals...

Coping with the node problem in quantum hydrodynamics: The covering function method

International Nuclear Information System (INIS)

Babyuk, Dmytro; Wyatt, Robert E.

2004-01-01

A conceptually simple approach, the covering function method (CFM), is developed to cope with the node problem in the hydrodynamic formulation of quantum mechanics. As nodes begin to form in a scattering wave packet (detected by a monitor function), a nodeless covering wave function is added to it yielding a total function that is also nodeless. Both local and global choices for the covering function are described. The total and covering functions are then propagated separately in the hydrodynamic picture. At a later time, the actual wave function is recovered from the two propagated functions. The results obtained for Eckart barrier scattering in one dimension are in excellent agreement with exact results, even for very long propagation times t=1.2 ps. The capability of the CFM is also demonstrated for multidimensional propagation of a vibrationally excited wave packet

Tank 241-AN-104, cores 163 and 164 analytical results for the final report

International Nuclear Information System (INIS)

Steen, F.H.

1997-01-01

This document is the analytical laboratory report for tank 241-AN-104 push mode core segments collected between August 8, 1996 and September 12, 1996. The segments were subsampled and analyzed in accordance with the Tank 241-AAr-1 04 Push Mode Core Sampling and Analysis Plan (TSAP) (Winkelman, 1996), the Safety Screening Data Quality Objective (DQO) (Dukelow, et at., 1995) and the Flammable Gas Data Quality Objective (DQO) (Benar, 1995). The analytical results are included in a data summary table. None of the samples submitted for Differential Scanning Calorimetry (DSC), Total Alpha Activity (AT), Total Organic Carbon (TOC) and Plutonium analyses (239,240 Pu) exceeded notification limits as stated in the TSAP. The statistical results of the 95% confidence interval on the mean calculations are provided by the Tank Waste Remediation Systems Technical Basis Group in accordance with the Memorandum of Understanding (Schreiber, 1997) and not considered in this report

Tank 241-T-105, cores 205 and 207 analytical results for the final report

International Nuclear Information System (INIS)

Esch, R.A.

1997-01-01

This document is the final laboratory report for tank 241-T-105 push mode core segments collected between June 24, 1997 and June 30, 1997. The segments were subsampled and analyzed in accordance with the Tank Push Mode Core Sampling and Analysis Plan (TSAP) (Field,1997), the Tank Safety Screening Data Quality Objective (Safety DQO) (Dukelow, et al., 1995) and Tank 241-T-105 Sample Analysis (memo) (Field, 1997a). The analytical results are included in Table 1. None of the subsamples submitted for the differential scanning calorimetry (DSC) analysis or total alpha activity (AT) exceeded the notification limits as stated in the TSAP (Field, 1997). The statistical results of the 95% confidence interval on the mean calculations are provided by the Tank Waste Remediation Systems (TWRS) Technical Basis Group in accordance with the Memorandum of Understanding (Schreiber, 1997) and not considered in this report

Consequences arising for research reactor operation from the planned amendment of the German atomic energy act (AtG) and atomic energy policy. Germany soon to be a third-world country in nuclear research?

International Nuclear Information System (INIS)

Krull, W.

1999-01-01

In the opinion of Dr. Wilfried Krull from Geesthacht, the Chairman of the German Research Reactor Trades Union, there is a great danger of the Federal Republic of Germany falling to the level of a third-world country as far as nuclear research is concerned. He says that it is a matter of urgency for binding exceptions from the general restrictions applicable to nuclear power stations to be incorporated into the opt-out amendment to nuclear law tabled by Juergen Trittin, the Minister for Environmental Affairs. He says that prohibition of reprocessing of spent fuel elements constitutes a violation of the surrender treaties concluded with the USA as part of non-proliferation. Furthermore, he states that a ban on reprocessing of spent nuclear fuel from research and training reactors is counterproductive. He says that there would be a particular danger if the limitation of research reactors to a rating of one megawatt, which Trittin has in the first instance planned in an initial draft law, were to be implemented in the form of a regulation. At that point, he claims, Germany would, as far as nuclear medicine (including cancer therapy) and modern technical inspection procedures (non-destructive, of materials) are concerned, become an importing country. (orig.) [de

Quasi-normal frequencies: Semi-analytic results for highly damped modes

International Nuclear Information System (INIS)

Skakala, Jozef; Visser, Matt

2011-01-01

Black hole highly-damped quasi-normal frequencies (QNFs) are very often of the form ω n = (offset) + in (gap). We have investigated the genericity of this phenomenon for the Schwarzschild-deSitter (SdS) black hole by considering a model potential that is piecewise Eckart (piecewise Poschl-Teller), and developing an analytic 'quantization condition' for the highly-damped quasi-normal frequencies. We find that the ω n = (offset) + in (gap) behaviour is common but not universal, with the controlling feature being whether or not the ratio of the surface gravities is a rational number. We furthermore observed that the relation between rational ratios of surface gravities and periodicity of QNFs is very generic, and also occurs within different analytic approaches applied to various types of black hole spacetimes. These observations are of direct relevance to any physical situation where highly-damped quasi-normal modes are important.

Hyperfine electron-nuclear interactions in the frame of the Density Functional and of the Density Matrix Methods

International Nuclear Information System (INIS)

Pavlov, R.L.; Pavlov, L.I.; Raychev, P.P.; Garistov, V.P.; Dimitrova-Ivanovich, M.

2002-01-01

The matrix elements and expectation values of the hyperfine interaction operators are presented in a form suitable for numerical implementation in density matrix methods. The electron-nuclear spin-spin (dipolar and contact) interactions are considered, as well as the interaction between nuclear spin and electron-orbital motions. These interactions from the effective Breit-Pauli Hamiltonian determine the hyperfine structure in ESR spectra and contribute to chemical shifts in NMR. Applying the Wigner-Eckart theorem in the irreducible tensor-operator technique and the spin-space separation scheme, the matrix elements and expectation values of these relativistic corrections are expressed in analytical form. The final results are presented as products, or sums of products, of factors determined by the spin and (or) angular momentum symmetry and a spatial part determined by the action of the symmetrized tensor-operators on the normalized matrix or function of the spin or charge distribution.

APUAMA: a software tool for reaction rate calculations.

Science.gov (United States)

Euclides, Henrique O; P Barreto, Patricia R

2017-06-01

APUAMA is a free software designed to determine the reaction rate and thermodynamic properties of chemical species of a reagent system. With data from electronic structure calculations, the APUAMA determine the rate constant with tunneling correction, such as Wigner, Eckart and small curvature, and also, include the rovibrational level of diatomic molecules. The results are presented in the form of Arrhenius-Kooij form, for the reaction rate, and the thermodynamic properties are written down in the polynomial form. The word APUAMA means "fast" in Tupi-Guarani Brazilian language, then the code calculates the reaction rate on a simple and intuitive graphic interface, the form fast and practical. As program output, there are several ASCII files with tabulated information for rate constant, rovibrational levels, energy barriers and enthalpy of reaction, Arrhenius-Kooij coefficient, and also, the option to the User save all graphics in BMP format.

A general framework to quantify the effect of restricted diffusion on the NMR signal with applications to double pulsed field gradient NMR experiments.

Science.gov (United States)

Ozarslan, Evren; Shemesh, Noam; Basser, Peter J

2009-03-14

Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.

A general framework to quantify the effect of restricted diffusion on the NMR signal with applications to double pulsed field gradient NMR experiments

Science.gov (United States)

Özarslan, Evren; Shemesh, Noam; Basser, Peter J.

2009-03-01

Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.

ESTUDO TEÓRICO DAS PROPRIEDADES CINÉTICAS DA REAÇÃO NF+F = N+F2

Directory of Open Access Journals (Sweden)

Danielle Maria Fernandes do Prado

2010-08-01

Full Text Available O principal objetivo dos estudos com o Trifluoreto de nitrogênio é estudar a dissociação deste em nitrogênio e flúor. Para o entendimento e a determinação do correto caminho de dissociação do NF3, é necessário estudar uma série de reações elementares, como passo intermediário para alcançar a reação global deste sistema. Neste projeto é apresentado uma proposta de determinação das propriedades cinéticas e dinâmicas das reações envolvidas nos mecanismos de dissociação do NF3 . Para a realização deste estudo será empregada a Teoria das Estruturas de Transição (TST, juntamente com as correções de tunelamento, de Wigner e Eckart.

Tunneling Flight Time, Chemistry, and Special Relativity.

Science.gov (United States)

Petersen, Jakob; Pollak, Eli

2017-09-07

Attosecond ionization experiments have not resolved the question "What is the tunneling time?". Different definitions of tunneling time lead to different results. Second, a zero tunneling time for a material particle suggests that the nonrelativistic theory includes speeds greater than the speed of light. Chemical reactions, occurring via tunneling, should then not be considered in terms of a nonrelativistic quantum theory calling into question quantum dynamics computations on tunneling reactions. To answer these questions, we define a new experimentally measurable paradigm, the tunneling flight time, and show that it vanishes for scattering through an Eckart or a square barrier, irrespective of barrier length or height, generalizing the Hartman effect. We explain why this result does not lead to experimental measurement of speeds greater than the speed of light. We show that this tunneling is an incoherent process by comparing a classical Wigner theory with exact quantum mechanical computations.

A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

Science.gov (United States)

Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

2017-08-01

We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

Tank 241-AX-103, cores 212 and 214 analytical results for the final report

International Nuclear Information System (INIS)

Steen, F.H.

1998-01-01

This document is the analytical laboratory report for tank 241-AX-103 push mode core segments collected between July 30, 1997 and August 11, 1997. The segments were subsampled and analyzed in accordance with the Tank 241-AX-103 Push Mode Core Sampling and Analysis Plan (TSAP) (Comer, 1997), the Safety Screening Data Quality Objective (DQO) (Dukelow, et al., 1995) and the Data Quality Objective to Support Resolution of the Organic Complexant Safety Issue (Organic DQO) (Turner, et al., 1995). The analytical results are included in the data summary table (Table 1). None of the samples submitted for Differential Scanning Calorimetry (DSC), Total Alpha Activity (AT), plutonium 239 (Pu239), and Total Organic Carbon (TOC) exceeded notification limits as stated in the TSAP (Conner, 1997). The statistical results of the 95% confidence interval on the mean calculations are provided by the Tank Waste Remediation Systems Technical Basis Group in accordance with the Memorandum of Understanding (Schreiber, 1997) and not considered in this report

Rovibrational states of Wigner molecules in spherically symmetric confining potentials

Energy Technology Data Exchange (ETDEWEB)

Cioslowski, Jerzy [Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland and Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Str. 38, D-01187 Dresden (Germany)

2016-08-07

The strong-localization limit of three-dimensional Wigner molecules, in which repulsively interacting particles are confined by a weak spherically symmetric potential, is investigated. An explicit prescription for computation of rovibrational wavefunctions and energies that are asymptotically exact at this limit is presented. The prescription is valid for systems with arbitrary angularly-independent interparticle and confining potentials, including those involving Coulombic and screened (i.e., Yukawa/Debye) interactions. The necessary derivations are greatly simplified by explicit constructions of the Eckart frame and the parity-adapted primitive wavefunctions. The performance of the new formalism is illustrated with the three- and four-electron harmonium atoms at their strong-correlation limits. In particular, the involvement of vibrational modes with the E symmetry is readily pinpointed as the origin of the “anomalous” weak-confinement behavior of the {sup 1}S{sub +} state of the four-electron species that is absent in its {sup 1}D{sub +} companion of the strong-confinement regime.

Rapid Hydrogen Shift Reactions in Acyl Peroxy Radicals

DEFF Research Database (Denmark)

Knap, Hasse Christian; Jørgensen, Solvejg

2017-01-01

-shift with X = 6, 7, 8, or 9) in the hydroperoxy acyl peroxy radicals, this H-shift is a reversible reaction and it scrambles between two peroxides, hydroperoxy acyl peroxy and peroxy peroxoic acid radicals. The forward reaction rate constants of the 1,X-OOH H-shift reactions are estimated to be above 103 s–1...... with transition state theory corrected with Eckart quantum tunnelling correction. The ratio between the forward and reverse reaction rate constant of the 1,X-OOH H-shift reactions is around ∼105. Therefore, the equilibrium is pushed toward the production of peroxy peroxoic acid radicals. These very fast 1,X-OOH H......We have used quantum mechanical chemical calculations (CCSD(T)-F12a/cc-pVDZ-F12//M06-2X/aug-cc-pVTZ) to investigate the hydrogen shift (H-shift) reactions in acyl peroxy and hydroperoxy acyl peroxy radicals. We have focused on the H-shift reactions from a hydroperoxy group (OOH) (1,X-OOH H...

Lectures on quantum mechanics

CERN Document Server

Weinberg, Steven

2013-01-01

Nobel Laureate Steven Weinberg combines his exceptional physical insight with his gift for clear exposition to provide a concise introduction to modern quantum mechanics. Ideally suited to a one-year graduate course, this textbook is also a useful reference for researchers. Readers are introduced to the subject through a review of the history of quantum mechanics and an account of classic solutions of the Schrödinger equation, before quantum mechanics is developed in a modern Hilbert space approach. The textbook covers many topics not often found in other books on the subject, including alternatives to the Copenhagen interpretation, Bloch waves and band structure, the Wigner–Eckart theorem, magic numbers, isospin symmetry, the Dirac theory of constrained canonical systems, general scattering theory, the optical theorem, the 'in-in' formalism, the Berry phase, Landau levels, entanglement and quantum computing. Problems are included at the ends of chapters, with solutions available for instructors at www.cam...

Computed potential energy surfaces for chemical reactions

Science.gov (United States)

Walch, Stephen P.

1988-01-01

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

The method of chains of groups and its application to physics

International Nuclear Information System (INIS)

Guichon, Pierre.

1975-01-01

The group representation theory is studied in the sub-group chain formalism. The associated Racah algebra is described with this special aspect in mind and the hypotheses are discussed. Several advantages are shown: it makes the evaluation of the geometrical coefficients arising from Racah's method easier and the matrix elements are readily evaluated with the Wigner-Eckart theorem. It applies to any group of the chain so that one takes advantage of the Racah algebra of the best-known group (for instance SU(2)). Moreover the multiplicity problems are removed when the first group of the chain is multiplicity-free. Algebraic problems are shown to be easily solved using a graphical method. The proposed one is available in a non-standard basis and for any compact group. The chain method is applied to a chain of groups of molecular interest. An extensive tabulation of the coefficients which are necessary in the practice has been performed and results are given in an addendum to this work [fr

Spectral distributions of mixed configurations of identical nucleons in the seniority scheme II. Configuration-seniority scheme

International Nuclear Information System (INIS)

Quesne, C.; Spitz, S.

1978-01-01

Configuration-seniority spectral distributions as well as fixed seniority and fixed total seniority and parity distributions are studied in detail for mixed configurations of identitical nucleons. The decomposition of any (1+2) -body Hamiltonian into irreducible tensors with respect to the unitary and symplectic groups in each subshell is obtained. Group theoretical methods based on the Wigner-Eckart theorem for the higher unitary groups are used to get analytical expressions for the partial widths of configuration-seniority distributions. During this derivation, various isoscalar factors for the chain SU (2Ω) is contained inSp (2Ω) are determined. Numerical calculations of centroid energies, partial widths, and mixing parameters are performed in the Sn and Pb nuclei with a surface delta and a gaussian interactions. Average ordinary and total seniority breaking is studied. Total seniority space truncations in the ground state region are discussed in the Pb nuclei in connections with various approximation schemes

Bulk viscosity, interaction and the viability of phantom solutions

Energy Technology Data Exchange (ETDEWEB)

Leyva, Yoelsy; Sepulveda, Mirko [Universidad de Tarapaca, Departamento de Fisica, Facultad de Ciencias, Arica (Chile)

2017-06-15

We study the dynamics of a bulk viscosity model in the Eckart approach for a spatially flat Friedmann-Robertson-Walker (FRW) Universe. We have included radiation and dark energy, assumed as perfect fluids, and dark matter treated as an imperfect fluid having bulk viscosity. We also introduce an interaction term between the dark matter and dark energy components. Considering that the bulk viscosity is proportional to the dark matter energy density and imposing a complete cosmological dynamics, we find bounds on the bulk viscosity in order to reproduce a matter-dominated era (MDE). This constraint is independent of the interaction term. Some late time phantom solutions are mathematically possible. However, the constraint imposed by a MDE restricts the interaction parameter, in the phantom solutions, to a region consistent with a null value, eliminating the possibility of late time stable solutions with w < -1. From the different cases that we study, the only possible scenario, with bulk viscosity and interaction term, belongs to the quintessence region. In the latter case, we find bounds on the interaction parameter compatible with latest observational data. (orig.)

H + CH{sub 2}CO {yields} CH{sub 3} + CO at high temperature : a high pressure chemical activation reaction with positive barrier.

Energy Technology Data Exchange (ETDEWEB)

Hranisavljevic, J.; Kumaran, S. S.; Michael, J. V.

1997-12-08

The Laser Photolysis-Shock Tube (LP-ST) technique coupled with H-atom atomic resonance absorption spectrometry (ARAS) has been used to study reaction, H + CH{sub 2}CO {r_arrow} CH{sub 3} + CO, over the temperature range, 863-1400 K. The results can be represented by the Arrhenius expression, k = (4.85 {+-} 0.70) x 10{sup {minus}11} exp({minus}2328 {+-} 155 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The present data have been combined with the earlier low temperature flash photolysis-resonance fluorescence measurements to yield a joint three parameter expression, k = 5.44 x 10{sup {minus}14} T{sup 0.8513} exp({minus}1429 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. This is a chemical activation process that proceeds through vibrationally excited acetyl radicals. However, due to the presence of a low lying forward dissociation channel to CH{sub 3} + CO, the present results refer to the high pressure limiting rate constants. Hence, transition state theory with Eckart tunneling is used to explain the data.

Relativistic gas in a Schwarzschild metric

International Nuclear Information System (INIS)

Kremer, Gilberto M

2013-01-01

A relativistic gas in a Schwarzschild metric is studied within the framework of a relativistic Boltzmann equation in the presence of gravitational fields, where Marle’s model for the collision operator of the Boltzmann equation is employed. The transport coefficients of the bulk and shear viscosities and thermal conductivity are determined from the Chapman–Enskog method. It is shown that the transport coefficients depend on the gravitational potential. Expressions for the transport coefficients in the presence of weak gravitational fields in the non-relativistic (low temperature) and ultra-relativistic (high temperature) limiting cases are given. Apart from the temperature gradient the heat flux has two relativistic terms. The first one, proposed by Eckart, is due to the inertia of energy and represents an isothermal heat flux when matter is accelerated. The other, suggested by Tolman, is proportional to the gravitational potential gradient and indicates that—in the absence of an acceleration field—a state of equilibrium of a relativistic gas in a gravitational field can be attained only if the temperature gradient is counterbalanced by a gravitational potential gradient. (paper)

Trajectory approach to dissipative quantum phase space dynamics: Application to barrier scattering

International Nuclear Information System (INIS)

Hughes, Keith H.; Wyatt, Robert E.

2004-01-01

The Caldeira-Leggett master equation, expressed in Lindblad form, has been used in the numerical study of the effect of a thermal environment on the dynamics of the scattering of a wave packet from a repulsive Eckart barrier. The dynamics are studied in terms of phase space trajectories associated with the distribution function, W(q,p,t). The equations of motion for the trajectories include quantum terms that introduce nonlocality into the motion, which imply that an ensemble of correlated trajectories needs to be propagated. However, use of the derivative propagation method (DPM) allows each trajectory to be propagated individually. This is achieved by deriving equations of motion for the partial derivatives of W(q,p,t) that appear in the master equation. The effects of dissipation on the trajectories are studied and results are shown for the transmission probability. On short time scales, decoherence is demonstrated by a swelling of trajectories into momentum space. For a nondissipative system, a comparison is made of the DPM with the 'exact' transmission probability calculated from a fixed grid calculation

Computational Chemistry of Cyclopentane Low Temperature Oxidation

KAUST Repository

El Rachidi, Mariam; Zá dor, Judit; Sarathy, Mani

2015-01-01

reactions occurring during low-temperature cyclopentane combustion using theoretical chemical kinetics. The reaction pathways of the cyclopentyl + O2 adduct is traced to alkylhydroperoxide, cyclic ether, β-scission and HO2 elimination products. The calculations are carried out at the UCCSD(T)-F12b/cc-pVTZ-F12//M06-2X/6-311++G(d,p) level of theory. The barrierless entrance channel is treated using variable-reaction-coordinate transition state theory (VRC-TST) at the CASPT2(7e,6o) level of theory, including basis set, geometry relaxation and ZPE corrections. 1-D time-dependent multiwell master equation analysis is used to determine pressure-and temperature-dependent rate parameters of all investigated reactions. Tunneling corrections are included using Eckart barriers. Comparison with cyclohexane is used to elucidate the effect of ring size on the low temperature reactivity of naphthenes. The rate coefficients reported herein are suitable for use in cyclopentane and methylcyclopentane combustion models, even below ~900 K, where ignition is particularly sensitive to these pressure-dependent values.

Relativistic electrodynamics of dissipative elastic media

International Nuclear Information System (INIS)

Kranys, M.

1980-01-01

A phenomenological general relativistic electrodynamics is proposed for a dissipative elastic solid which is polarizable and magnetizable and whose governing equations form a hyperbolic system. Non-stationary transport equations are proposed for dissipative fluxes (and constitutive equations of electrodynamics) containing new cross-effect terms, as required for compatibility with an entropy principle expressed by a new balance equation (including a new Gibbs equation). The dynamic equations are deduced from the unified Minkowski-Abraham-Eckart energy-momentum tensor. The theory, formed by a set of 29 (reducible to 23) partial differential equations (in special relativity) governing the material behaviour of the system characterized by generalizing the constitutive equations of quasineutral media, together with Maxwell's equations, may be referred to as the electrodynamics of dissipative elastic media (or fluid). The proposed transport laws for polarization and magnetization generalize the well-known Debye law for relaxation and show the influence of shear and bulk viscosity on polarization and magentization. Besides the form of the entropy function, the free energy function in the non-stationary regime is also formulated. (auth)

Causality, transfer entropy, and allosteric communication landscapes in proteins with harmonic interactions.

Science.gov (United States)

Hacisuleyman, Aysima; Erman, Burak

2017-06-01

A fast and approximate method of generating allosteric communication landscapes in proteins is presented by using Schreiber's entropy transfer concept in combination with the Gaussian Network Model of proteins. Predictions of the model and the allosteric communication landscapes generated show that information transfer in proteins does not necessarily take place along a single path, but an ensemble of pathways is possible. The model emphasizes that knowledge of entropy only is not sufficient for determining allosteric communication and additional information based on time delayed correlations should be introduced, which leads to the presence of causality in proteins. The model provides a simple tool for mapping entropy sink-source relations into pairs of residues. By this approach, residues that should be manipulated to control protein activity may be determined. This should be of great importance for allosteric drug design and for understanding the effects of mutations on function. The model is applied to determine allosteric communication in three proteins, Ubiquitin, Pyruvate Kinase, and the PDZ domain. Predictions are in agreement with molecular dynamics simulations and experimental evidence. Proteins 2017; 85:1056-1064. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Alternative Text Types to Improve Reading Fluency for Competent to Struggling Readers

Directory of Open Access Journals (Sweden)

Timothy V. Rasinski

2016-01-01

Full Text Available This article offers instructional suggestions and strategies based on research and theoretical literature for developing reading fluency through the use of rhyming poetry and other texts beyond the narrative and informational texts that have been traditionally used for reading instruction. Readers’ lack of fluency in reading can be a monumental impediment to proficiency in good comprehension and overall reading competency. For all readers it is well established that as they progress in reading competence their reading ability grows (Stanovich, 1993/1994. This continued reading success begets continued reading growth; however, many struggling readers have difficulty in moving to a level of automaticity and fluency in their reading that enables them to engage in a successful practice. Lack of practice inhibits their reading comprehension. Readers’ abilities to effectively comprehend texts are significantly affected by their proficiency in accurate and automatic word recognition and prosody (May, 1998; Stanovich, 1993/1994; LaBerge & Samuels, 1974; Schreiber, 1991. Repeated reading practice has been shown to be a powerful way to improve these important fluency competencies. Certain texts are particularly well suited for repeated reading that improves both aspects of fluency

Organizing for a Peaceful Crowd: An Example of a Football Match

Directory of Open Access Journals (Sweden)

Ingrid Hylander

2010-03-01

Full Text Available Crowd violence has interested researchers in social psychology for many years and is an important issue for sports psychology (STOTT, ADANG, LIVINGSTONE & SCHREIBER, 2007; STOTT, HUTCHINSON & DRURY, 2001; RUSSELL, 2004; MUSTONEN, ARMS & RUSSELL, 1996. Riots in crowds have been explained from different theoretical perspectives (HYLANDER, 2008, such as individual differences, de-individuation (PRENTICE-DUNN & ROGERS, 1989, group interaction (DRURY & REICHER, 2000, history (GUTTMAN, 1986, 1998 and cultural perspectives (CRABBE, 2003. In this study, a social psychology model focusing on group interaction, the Aggravation and Mitigation (AM model (GUVÅ & HYLANDER, 2008; GRANSTRÖM, 2008; GRANSTRÖM & ROSANDER, 2008, is used as a means of analysis. This article applies the AM model to a sporting event to identify if and how peacemaking processes can be detected. Furthermore, the intention is to discern and illuminate organizational strategies that maybe linked to peacemaking processes. The main results indicate that when arrangements are based on (a "festival-making," (b arrangements for basic needs and recognizable order and (c the creation of a superordinate identity, then the outcome of mass events may turn out peaceful, which is also in line with the AM model. URN: urn:nbn:de:0114-fqs100283

Shmuel Malkin (1934-2017) : Listening to photosynthesis and making music.

Science.gov (United States)

Herbert, Stephen K; Siderer, Yona; Govindjee

2018-07-01

We present here the life and work of Shmuel Malkin (1934-2017), an accomplished scientist and a gifted musician who touched the lives of many around the world. His early scientific work addressed the dynamics of light harvesting and electron transport in photosynthesis. Later, he used photoacoustic and photothermal methodologies to explore all aspects of photosynthesis. As a musician, Shmuel played the piano often for family and friends but after his formal retirement, he produced a body of original musical compositions, many of which were performed publicly. Throughout his life, Shmuel was a caring and deeply thoughtful man, respected and loved by colleagues, family, and friends. This tribute presents a summary of Shmuel's work as well as remembrances written by his wife, Nava Malkin, their son, Eyal Malkinson, and many of his colleagues: Michael Havaux from France; Sandra and Marcel Jansen from Ireland; David Cahen, Marvin Edelmann, Joop and Onnie de Graaf, Jonathan Gressel, Uri Pick, Yona Siderer, and Elisha Tel-Or from Israel; Ulrich Schreiber from Germany; James Barber and Alison Telfer from the UK; Govindjee, Stephen Herbert and Thomas Sharkey from the USA. Minnie Ho and Iris Malkin of the USA wrote contributions about Shmuel's music.

Diagrammatic technique for calculating matrix elements of collective operators in superradiance

International Nuclear Information System (INIS)

Lee, C.T.

1975-01-01

Adopting the so-called ''genealogical construction,'' one can express the eigenstates of collective operators corresponding to a specified mode for an N-atom system in terms of those for an (N-1) -atom system. Using these Dicke states as bases and using the Wigner-Eckart theorem, a matrix element of a collective operator of an arbitrary mode can be written as the product of an m-dependent factor and an m-independent reduced matrix element (RME). A set of recursion formulas for the RME is obtained. A graphical representation of the RME on the branching diagram for binary irreducible representations of permutation groups is then introduced. This gives a simple and systematic way of calculating the RME. This method is especially useful when the cooperation number r is close to N/2, where almost exact asymptotic expressions can be obtained easily. The result shows explicitly the geometry dependence of superradiance and the relative importance of r-conserving and r-nonconserving processes. This clears up the chief difficulty encountered in the Dicke-Schwendimann approach to the problem of N two-level atoms, spread over large regions, interacting with a multimode radiation field

Trajectory-based understanding of the quantum-classical transition for barrier scattering

Science.gov (United States)

Chou, Chia-Chun

2018-06-01

The quantum-classical transition of wave packet barrier scattering is investigated using a hydrodynamic description in the framework of a nonlinear Schrödinger equation. The nonlinear equation provides a continuous description for the quantum-classical transition of physical systems by introducing a degree of quantumness. Based on the transition equation, the transition trajectory formalism is developed to establish the connection between classical and quantum trajectories. The quantum-classical transition is then analyzed for the scattering of a Gaussian wave packet from an Eckart barrier and the decay of a metastable state. Computational results for the evolution of the wave packet and the transmission probabilities indicate that classical results are recovered when the degree of quantumness tends to zero. Classical trajectories are in excellent agreement with the transition trajectories in the classical limit, except in some regions where transition trajectories cannot cross because of the single-valuedness of the transition wave function. As the computational results demonstrate, the process that the Planck constant tends to zero is equivalent to the gradual removal of quantum effects originating from the quantum potential. This study provides an insightful trajectory interpretation for the quantum-classical transition of wave packet barrier scattering.

Acoustic streaming in the transducer plane in ultrasonic particle manipulation devices.

Science.gov (United States)

Lei, Junjun; Glynne-Jones, Peter; Hill, Martyn

2013-06-07

In acoustofluidic manipulation and sorting devices, Rayleigh streaming flows are typically found in addition to the acoustic radiation forces. However, experimental work from various groups has described acoustic streaming that occurs in planar devices in a plane parallel to the transducer face. This is typically a four-quadrant streaming pattern with the circulation parallel to the transducer. Understanding its origins is essential for creating designs that limit or control this phenomenon. The cause of this kind of streaming pattern has not been previously explained as it is different from the well-known classical streaming patterns such as Rayleigh streaming and Eckart streaming, whose circulation planes are generally perpendicular to the face of the acoustic transducer. In order to gain insight into these patterns we present a numerical method based on Nyborg's limiting velocity boundary condition that includes terms ignored in the Rayleigh analysis, and verify its predictions against experimental PIV results in a simple device. The results show that the modelled particle trajectories match those found experimentally. Analysis of the dominant terms in the driving equations shows that the origin of this kind of streaming pattern is related to the circulation of the acoustic intensity.

The Effects of Oxygen Partial Pressure on Liquidus Temperature of a High-Level Waste Glass with Spinel as the Primary Phase

International Nuclear Information System (INIS)

Izak, Pavel; Hrma, Pavel R.; Wilson, Benjamin K.; Vienna, John D.

2000-01-01

The redox state of iron affects spinal crystallization in vitrified high-level waste (HLW) glass. Simulated HLW glass with spinel as the primary crystalline phase field was heat treated at constant temperatures within the interval from 850 C to 1300 C under varying atmospheres with oxygen partial pressure, Po2, ranging from 1x10-16 kPa (pure CO) to 101 kPa (pure O2). Liquidus temperature (TL) of glass increased with decreasing Po2 up to Po2 > 3 x 10-9 kPa. At Po2 < 3 x 10-9 kPa, Ni-Fe alloy precipitated from the glass, and TL decreased. Samples were analyzed with optical microscope and scanning electron microscope. The mass fraction of spinel in glass was determined using quantitative X-ray diffraction. Spinel composition was investigated with energy disperse spectroscopy. Ferrous-ferric equilibrium at TL was calculated in a HLW glass as a function of temperature and Po2, based on the previous studies by Schreiber. TL/FeO over the interval 0.0063 < gFeO < 0.051 (1x10-2 kPa < Po2 < 3x10-9 kPa) was estimated from calculated ferrous-ferric equilibrium at TL as 1835 C

Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

Energy Technology Data Exchange (ETDEWEB)

Peterson, Eric Scott [Univ. of California, Berkeley, CA (United States)

1992-08-01

A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin`s resonant energy transfer hopping mechanism.

Indication of multiscaling in the volatility return intervals of stock markets

Science.gov (United States)

Wang, Fengzhong; Yamasaki, Kazuko; Havlin, Shlomo; Stanley, H. Eugene

2008-01-01

The distribution of the return intervals τ between price volatilities above a threshold height q for financial records has been approximated by a scaling behavior. To explore how accurate is the scaling and therefore understand the underlined nonlinear mechanism, we investigate intraday data sets of 500 stocks which consist of Standard & Poor’s 500 index. We show that the cumulative distribution of return intervals has systematic deviations from scaling. We support this finding by studying the m -th moment μm≡⟨(τ/⟨τ⟩)m⟩1/m , which show a certain trend with the mean interval ⟨τ⟩ . We generate surrogate records using the Schreiber method, and find that their cumulative distributions almost collapse to a single curve and moments are almost constant for most ranges of ⟨τ⟩ . Those substantial differences suggest that nonlinear correlations in the original volatility sequence account for the deviations from a single scaling law. We also find that the original and surrogate records exhibit slight tendencies for short and long ⟨τ⟩ , due to the discreteness and finite size effects of the records, respectively. To avoid as possible those effects for testing the multiscaling behavior, we investigate the moments in the range 10volatility.

Attempting immortality

International Nuclear Information System (INIS)

Krull, W.

1995-01-01

The world's population of research reactors is growing old. Many have been adapted to serve new purposes over their lives, from testing materials for nuclear power programmes and supporting neutron physics experiments, to colouring gemstones, doping silicon and generating medical isotopes. In the first article of this survey of research reactor issues, Wilfried Krull from GKSS in Germany describes the effects on a reactor of supporting these changes in application as ''design ageing'' . Managing this and other symptoms of ageing to extend plant life is a key task for operators, and Krull discusses the efforts being made internationally to handle them. Eventually, terminal decline of one vital component can determine when a reactor has to be shutdown for refurbishment. For BR2 in Belgium, it was the beryllium matrix. Edgar Koonen from SCK-CEN explains work being done to replace it and extend reactor life for around 15 years. The Triga at the University of Austria's Atomic Institute has already been running for over 30 years and Helmuth Bock, of the Institute, credits its good health to thorough routine maintenance procedures and custom-made tools for the work. The HANARO reactor in Korea achieved first criticality in February this year - one of the few new research reactors to have started up in recent years. Seong-yun Kim of KAERI describes its design and uses, including medical isotope production. About 80% of medical Mo-99 comes from the 38-year-old NRU in Canada. Russell Ball from B and W Nuclear Environmental Services describes a conceptual reactor for dedicated Mo-99 production in the last article of the survey. (UK)

Attempting immortality

Energy Technology Data Exchange (ETDEWEB)

Krull, W. [GKSS-Forschungszentrum Geesthacht GmbH (Germany)

1995-12-01

The world`s population of research reactors is growing old. Many have been adapted to serve new purposes over their lives, from testing materials for nuclear power programmes and supporting neutron physics experiments, to colouring gemstones, doping silicon and generating medical isotopes. In the first article of this survey of research reactor issues, Wilfried Krull from GKSS in Germany describes the effects on a reactor of supporting these changes in application as ``design ageing`` . Managing this and other symptoms of ageing to extend plant life is a key task for operators, and Krull discusses the efforts being made internationally to handle them. Eventually, terminal decline of one vital component can determine when a reactor has to be shutdown for refurbishment. For BR2 in Belgium, it was the beryllium matrix. Edgar Koonen from SCK-CEN explains work being done to replace it and extend reactor life for around 15 years. The Triga at the University of Austria`s Atomic Institute has already been running for over 30 years and Helmuth Bock, of the Institute, credits its good health to thorough routine maintenance procedures and custom-made tools for the work. The HANARO reactor in Korea achieved first criticality in February this year - one of the few new research reactors to have started up in recent years. Seong-yun Kim of KAERI describes its design and uses, including medical isotope production. About 80% of medical Mo-99 comes from the 38-year-old NRU in Canada. Russell Ball from B and W Nuclear Environmental Services describes a conceptual reactor for dedicated Mo-99 production in the last article of the survey. (UK).

Computational Chemistry of Cyclopentane Low Temperature Oxidation

KAUST Repository

El Rachidi, Mariam

2015-03-30

Cycloalkanes are significant constituents of conventional fossil fuels, but little is known concerning their combustion chemistry and kinetics, particularly at low temperatures. This study investigates the pressure dependent kinetics of several reactions occurring during low-temperature cyclopentane combustion using theoretical chemical kinetics. The reaction pathways of the cyclopentyl + O2 adduct is traced to alkylhydroperoxide, cyclic ether, β-scission and HO2 elimination products. The calculations are carried out at the UCCSD(T)-F12b/cc-pVTZ-F12//M06-2X/6-311++G(d,p) level of theory. The barrierless entrance channel is treated using variable-reaction-coordinate transition state theory (VRC-TST) at the CASPT2(7e,6o) level of theory, including basis set, geometry relaxation and ZPE corrections. 1-D time-dependent multiwell master equation analysis is used to determine pressure-and temperature-dependent rate parameters of all investigated reactions. Tunneling corrections are included using Eckart barriers. Comparison with cyclohexane is used to elucidate the effect of ring size on the low temperature reactivity of naphthenes. The rate coefficients reported herein are suitable for use in cyclopentane and methylcyclopentane combustion models, even below ~900 K, where ignition is particularly sensitive to these pressure-dependent values.

Foreword

Directory of Open Access Journals (Sweden)

Lorenzo Bartalesi

2013-12-01

Full Text Available Evolutionary Aesthetics emerges today as a young and lively field of studies whose main aim is to rethink the traditional questions of philosophical Aesthetics in the light of biological theories, in particular in the light of Darwin's evolutionary theory by means of natural selection. The aim of this issue is to introduce Evolutionary Aesthetics into the Italian philosophical debate. Contributions collected cover almost entirely the lively, multifaceted spectrum of the discipline: 1 the high-debated question of the adaptive value of aesthetic sense, artistic practices and art fruition (Stephen Davies, Zach Norwood, Joseph Carroll; 2 the evolutionary explanation of human sexual preferences and production of artefacts (Hannes Rusch & Eckart Voland; 3 the possibility for a Darwinian non-reductionist definition of art as a culturally differentiated behavior (Kathryn Coe; Nancy E. Aiken; Roberta Dreon; 4 a comparative analysis of aesthetic experience from a cognitive viewpoint (Gianluca Consoli and from a morphological one (Salvatore Tedesco; 5 the influence of Darwinian perspective beyond the English boundaries, with particular reference to the Italian scientific community in the Nineteenth century (Elena Canadelli and to the tradition of Gestaltpsychologie (Michele Gardini; 6 a naturalistic approach to aesthetic experience and medial experience (Antonino Pennisi & Francesco Parisi.

Quantum wave packet dynamics with trajectories: Implementation with distributed approximating functionals

International Nuclear Information System (INIS)

Wyatt, Robert E.; Kouri, Donald J.; Hoffman, David K.

2000-01-01

The quantum trajectory method (QTM) was recently developed to solve the hydrodynamic equations of motion in the Lagrangian, moving-with-the-fluid, picture. In this approach, trajectories are integrated for N fluid elements (particles) moving under the influence of both the force from the potential surface and from the quantum potential. In this study, distributed approximating functionals (DAFs) are used on a uniform grid to compute the necessary derivatives in the equations of motion. Transformations between the physical grid where the particle coordinates are defined and the uniform grid are handled through a Jacobian, which is also computed using DAFs. A difficult problem associated with computing derivatives on finite grids is the edge problem. This is handled effectively by using DAFs within a least squares approach to extrapolate from the known function region into the neighboring regions. The QTM-DAF is then applied to wave packet transmission through a one-dimensional Eckart potential. Emphasis is placed upon computation of the transmitted density and wave function. A problem that develops when part of the wave packet reflects back into the reactant region is avoided in this study by introducing a potential ramp to sweep the reflected particles away from the barrier region. (c) 2000 American Institute of Physics

Wilfried Kürschner (Hg., Linguisten-Handbuch: Biographische und bibliographische Daten deutschsprachiger Sprachwissenschaftlerinnen und Sprachwissenschaftler der Gegenwart, I-II, Tübingen, Gunter Narr Verlag, 1994, XXX-1191 pp.

Directory of Open Access Journals (Sweden)

Žarko Muljačić

1994-12-01

Full Text Available Sebbene questo manuale fosse ideato nell'ormai lontano 1988 esso vede luce, a cura di W. Kurschner (1945-, professore di linguistica generale e germanica all'Universita di Osnabriick (sede di Vechta, appena ora. Una delle ragioni che hanno differito la sua pubblicazione è il fatto che fino al 1990 non esisteva un indirizzario dei linguisti attivi nella ex RDT. Le poche persone che già nel 1989 risposero all'appello dalla Germania Orientale appartenevano quasi esclusivamente all'Istituto Centrale di Linguistica dell'Accademia delle Scienze (ZISW di Berlino (Est e neanche essi erano liberi di rispondere all'intero Questionario (in base a ordini ricevuti hanno dovuto "saltare" ogni risposta alle domande Nr. 5, 6, 16, 18 e 31 (cf. W. Kurschner, "Notizen zur Entstehung des Linguisten-Handbuchs", vol. I, XII-XIV e il divertente e che queste domande si riferivano a cose del tutto "normali" (per es. ai numeri dei telefoni privato e d'ufficio e alle attività svolte fra la fine degli studi e l'ultimo incarico di lavoro.

Water mobility and thermal properties of smoked soft cheese

Directory of Open Access Journals (Sweden)

Hanna Maria Baranowska

2017-01-01

Full Text Available The main goal of the present study was to characterize the functional parameters of smoked soft cheese, with the emphasis on the behavior of water and milk fat, as analyzed by DSC, which was used to directly measure the melting/freezing phase transitions in the cheese. This study was complemented by NMR measurements of the organization and distribution of the aqueous phase within the emulsions constituting the cheese. The smoked and unsmoked cheeses were characterized by similar compositions in terms of protein (19.08-19.12 g∙100 g-1, fat (18.86-19.02 g∙100 g-1, and water content (59.86-60.27 g∙100 g-1. The water activity was higher in the unsmoked cheese (aw = 0.9736 than in the smoked cheese (aw = 0.9615. This result was confirmed by DSC (higher ice melting enthalpy and NMR (higher T1 value measurements. The smoking process led to differences in the distribution and binding of water to the lipid-protein matrix of the cheese. There was more non-freezed bound water in the smoked cheese which resulted in a more fragile and loosened structure in the smoked cheese than the unsmoked, which manifested in lower values of stretching and meltability. The meltability of the mozzarella smoked cheese was 1.5 times less than that of the unsmoked cheese (tube test and Schreiber test.

Tank 241-TX-118, core 236 analytical results for the final report

International Nuclear Information System (INIS)

ESCH, R.A.

1998-01-01

This document is the analytical laboratory report for tank 241-TX-118 push mode core segments collected between April 1, 1998 and April 13, 1998. The segments were subsampled and analyzed in accordance with the Tank 241-TX-118 Push Mode Core sampling and Analysis Plan (TSAP) (Benar, 1997), the Safety Screening Data Quality Objective (DQO) (Dukelow, et al., 1995), the Data Quality Objective to Support Resolution of the Organic Complexant Safety Issue (Organic DQO) (Turner, et al, 1995) and the Historical Model Evaluation Data Requirements (Historical DQO) (Sipson, et al., 1995). The analytical results are included in the data summary table (Table 1). None of the samples submitted for Differential Scanning Calorimetry (DSC) and Total Organic Carbon (TOC) exceeded notification limits as stated in the TSAP (Benar, 1997). One sample exceeded the Total Alpha Activity (AT) analysis notification limit of 38.4microCi/g (based on a bulk density of 1.6), core 236 segment 1 lower half solids (S98T001524). Appropriate notifications were made. Plutonium 239/240 analysis was requested as a secondary analysis. The statistical results of the 95% confidence interval on the mean calculations are provided by the Tank Waste Remediation Systems Technical Basis Group in accordance with the Memorandum of Understanding (Schreiber, 1997) and are not considered in this report

Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

Energy Technology Data Exchange (ETDEWEB)

Peterson, E.S.

1992-08-01

A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin's resonant energy transfer hopping mechanism.

Germany, high-tech country

International Nuclear Information System (INIS)

Anon.

1997-01-01

The Nuclear Technology Conference organized annually by the Deutsches Atomforum (DAtF) e.V. and the Kerntechnische Gesellschaft (KTG) e.V. was held in Aachen on May 13-15, 1997. Approximately 1000 participants from seventeen countries met to exchange information with experts from industry, research, science, and politics. Unlike earlier events, this one was not disturbed by demonstrations. DAtF President Dr. Wilfried Steuer welcomed Joachim H. Witt, Chief Executive Officer of the city of Aachen, who expressed words of welcome on behalf of his city at the opening of the plenary day of the conference. Energy policy and global competition were the optics of the address by Dr. Norbert Lammert, Parliamentary Undersecretary of State with the German Federal Ministry of Economics. He advocated grasping the changes offered by expanding global markets by reforming the structures of the energy supply sector. The rank of nuclear power in European research policy was explained by Fabricio Caccia Dominioni as representative of the European Commission. The electricity utilities were represented by Dr. Dietmar Kuhnt, Chief Executive Officer of RWE AG, who spoke about the security of energy investments. A thoughtful analysis of Germany as an industrial location was presented by Professor Dr. Herbert Henzler of McKinsey and Company Inc. The President of the European Nuclear Society (ENS), Ger R. Kuepers, sketched the development of nuclear power in the Netherlands, combining national and European aspects and emphasizing, in particular, the important function of ENS. Uranium enrichment as an European project was subject of the report by Dr. Klaus Messer, Urenco Ltd. The General Manager of Tractabel Energy Engineering and Chairman of Belgatom, Guy Frederic, examined the economic viability of nuclear power, appealing to the audience to reduce capital costs by innovation without detracting from safety. (orig./DG) [de

Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate

KAUST Repository

Wu, Junjun; Khaled, Fathi; Ning, Hongbo; Ma, Liuhao; Farooq, Aamir; Ren, Wei

2017-01-01

We report a systematic chemical kinetics study of the H-atom abstractions from ethyl formate (EF) by H, O(3P), CH3, OH, and HO2 radicals. The geometry optimization and frequency calculation of all the species were conducted using the M06 method and the cc-pVTZ basis set. The one-dimensional hindered rotor treatment of the reactants and transition states and the intrinsic reaction coordinate analysis were also performed at the M06/cc-pVTZ level of theory. The relative electronic energies were calculated at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory and further extrapolated to the complete basis set limit. Rate constants for the tittle reactions were calculated over the temperature range of 500‒2500 K by the transition state theory (TST) in conjunction with asymmetric Eckart tunneling effect. In addition, the rate constants of H-abstraction by hydroxyl radical were measured in shock tube experiments at 900‒1321 K and 1.4‒2.0 atm. Our theoretical rate constants of OH + EF → Products agree well with the experimental results within 15% over the experimental temperature range of 900‒1321 K. Branching ratios for the five types of H-abstraction reactions were also determined from their individual site-specific rate constants.

Instanton and noninstanton tunneling in periodically perturbed barriers: semiclassical and quantum interpretations.

Science.gov (United States)

Takahashi, Kin'ya; Ikeda, Kensuke S

2012-11-01

In multidimensional barrier tunneling, there exist two different types of tunneling mechanisms, instanton-type tunneling and noninstanton tunneling. In this paper we investigate transitions between the two tunneling mechanisms from the semiclassical and quantum viewpoints taking two simple models: a periodically perturbed Eckart barrier for the semiclassical analysis and a periodically perturbed rectangular barrier for the quantum analysis. As a result, similar transitions are observed with change of the perturbation frequency ω for both systems, and we obtain a comprehensive scenario from both semiclassical and quantum viewpoints for them. In the middle range of ω, in which the plateau spectrum is observed, noninstanton tunneling dominates the tunneling process, and the tunneling amplitude takes the maximum value. Noninstanton tunneling explained by stable-unstable manifold guided tunneling (SUMGT) from the semiclassical viewpoint is interpreted as multiphoton-assisted tunneling from the quantum viewpoint. However, in the limit ω→0, instanton-type tunneling takes the place of noninstanton tunneling, and the tunneling amplitude converges on a constant value depending on the perturbation strength. The spectrum localized around the input energy is observed, and there is a scaling law with respect to the width of the spectrum envelope, i.e., the width ∝ℏω. In the limit ω→∞, the tunneling amplitude converges on that of the unperturbed system, i.e., the instanton of the unperturbed system.

Unsteady magnetohydrodynamic thermal and diffusion boundary layer from a horizontal circular cylinder

Directory of Open Access Journals (Sweden)

Boričić Aleksandar Z.

2016-01-01

Full Text Available The unsteady 2-D dynamic, thermal, and diffusion magnetohydrodynamic laminar boundary layer flow over a horizontal cylinder of incompressible and electrical conductivity fluid, in mixed convection in the presence of heat source or sink and chemical reactions. The present magnetic field is homogenous and perpendicular to the body surface. It is assumed that induction of outer magnetic field is a function of longitudinal co-ordinate outer electric field is neglected and magnetic Reynolds number is significantly lower than one, i. e. considered the problem is in approximation without induction. Fluid electrical conductivity is constant. Free stream velocity, temperature, and concentration on the body are functions of longitudinal co-ordinate. The developed governing boundary layer equations and associated boundary conditions are made dimensionless using a suitable similarity transformation and similarity parameters. System of non-dimensionless equations is solved using the implicit finite difference three-diagonal and iteration method. Numerical results are obtained and presented for different Prandtl, Eckart, and Schmidt numbers, and values: magnetic parameter, temperature, and diffusion parameters, buoyancy temperature parameters, thermal parameter, and chemical reaction parameter. Variation of velocity profiles, temperature and diffusion distributions, and many integral and differential characteristics, boundary layer, are evaluated numerically for different values of the magnetic field. Transient effects of velocity, temperature and diffusion are analyzed. A part of obtained results is given in the form of figures and corresponding conclusions.

Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate

KAUST Repository

Wu, Junjun

2017-08-03

We report a systematic chemical kinetics study of the H-atom abstractions from ethyl formate (EF) by H, O(3P), CH3, OH, and HO2 radicals. The geometry optimization and frequency calculation of all the species were conducted using the M06 method and the cc-pVTZ basis set. The one-dimensional hindered rotor treatment of the reactants and transition states and the intrinsic reaction coordinate analysis were also performed at the M06/cc-pVTZ level of theory. The relative electronic energies were calculated at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory and further extrapolated to the complete basis set limit. Rate constants for the tittle reactions were calculated over the temperature range of 500‒2500 K by the transition state theory (TST) in conjunction with asymmetric Eckart tunneling effect. In addition, the rate constants of H-abstraction by hydroxyl radical were measured in shock tube experiments at 900‒1321 K and 1.4‒2.0 atm. Our theoretical rate constants of OH + EF → Products agree well with the experimental results within 15% over the experimental temperature range of 900‒1321 K. Branching ratios for the five types of H-abstraction reactions were also determined from their individual site-specific rate constants.

Monument protection and energy conservation. Status quo five years after the EnEV 2007; Denkmalschutz und Energieeinsparung. Stand der Dinge fuenf Jahre nach der EnEV 2007

Energy Technology Data Exchange (ETDEWEB)

NONE

2012-11-01

The meeting ''Monument conservation and energy conservation'' at 9th February 2012 in Wiesbaden (Federal Republic of Germany) focuses on the status quo five years after the revised version of the Energy Saving Ordinance (EnEV) in the year 2007. Within this meeting the following lectures were held: (1) Monument conservation and energy conservation - Status Quo five years after the EnEV 2007 (Roswitha Kaiser); (2) Interior insulation with exterior hydrophic treatment - material appropriate and monument appropriate? (Anatol Worch, Michael Auras); (3) Hints regarding to planning, execution and quality assurance of a subsequent core insulation (Heinrich Wigger, Kerstin Stoelken, Britta Schreiber); (4) Comparison of different interior insulation materials (Rudolf Platte); (5) Urban structural energy study Winterthur (Reto Bieli); (6) Remodelling of an industrial plant protected as a historical monument - Historical window systems, exposed masonry and modern installations (Andr Kramm, Marcel Kremer); (7) Model project - Facade insulation with VIP panels at a Ernst-May building protected as a historical building in Frankfurt (Main) (Juergen Werner); (8) The former tax office Wiesbaden - Energetic strengthening (Klaus Daniels); (9) House of the Evangelical Church in Wiesbaden - Energetic strengthening of the facades (Dominik Loh); (10) Conservation versus comfort and energy demand - Potentials of optimization by means of a targeting controlled operation of plant-technical systems in a historical monument (Harald Garrecht); (11) Energy efficient construction - Compound insulation materials as a disposal problem for dismantling and renovation (Ulrich Langer, Thomas Egloffstein).

Imperfect Dark Matter

Energy Technology Data Exchange (ETDEWEB)

Mirzagholi, Leila; Vikman, Alexander, E-mail: l.mirzagholi@physik.uni-muenchen.de, E-mail: alexander.vikman@lmu.de [Arnold Sommerfeld Center for Theoretical Physics, Ludwig Maximilian University Munich, Theresienstr. 37, Munich, D-80333 Germany (Germany)

2015-06-01

We consider cosmology of the recently introduced mimetic matter with higher derivatives (HD). Without HD this system describes irrotational dust—Dark Matter (DM) as we see it on cosmologically large scales. DM particles correspond to the shift-charges—Noether charges of the shifts in the field space. Higher derivative corrections usually describe a deviation from the thermodynamical equilibrium in the relativistic hydrodynamics. Thus we show that mimetic matter with HD corresponds to an imperfect DM which: i) renormalises the Newton's constant in the Friedmann equations, ii) has zero pressure when there is no extra matter in the universe, iii) survives the inflationary expansion which puts the system on a dynamical attractor with a vanishing shift-charge, iv) perfectly tracks any external matter on this attractor, v) can become the main (and possibly the only) source of DM, provided the shift-symmetry in the HD terms is broken during some small time interval in the radiation domination époque. In the second part of the paper we present a hydrodynamical description of general anisotropic and inhomogeneous configurations of the system. This imperfect mimetic fluid has an energy flow in the field's rest frame. We find that in the Eckart and in the Landau-Lifshitz frames the mimetic fluid possesses nonvanishing vorticity appearing already at the first order in the HD. Thus, the structure formation and gravitational collapse should proceed in a rather different fashion from the simple irrotational DM models.

Imperfect Dark Matter

International Nuclear Information System (INIS)

Mirzagholi, Leila; Vikman, Alexander

2015-01-01

We consider cosmology of the recently introduced mimetic matter with higher derivatives (HD). Without HD this system describes irrotational dust—Dark Matter (DM) as we see it on cosmologically large scales. DM particles correspond to the shift-charges—Noether charges of the shifts in the field space. Higher derivative corrections usually describe a deviation from the thermodynamical equilibrium in the relativistic hydrodynamics. Thus we show that mimetic matter with HD corresponds to an imperfect DM which: i) renormalises the Newton's constant in the Friedmann equations, ii) has zero pressure when there is no extra matter in the universe, iii) survives the inflationary expansion which puts the system on a dynamical attractor with a vanishing shift-charge, iv) perfectly tracks any external matter on this attractor, v) can become the main (and possibly the only) source of DM, provided the shift-symmetry in the HD terms is broken during some small time interval in the radiation domination époque. In the second part of the paper we present a hydrodynamical description of general anisotropic and inhomogeneous configurations of the system. This imperfect mimetic fluid has an energy flow in the field's rest frame. We find that in the Eckart and in the Landau-Lifshitz frames the mimetic fluid possesses nonvanishing vorticity appearing already at the first order in the HD. Thus, the structure formation and gravitational collapse should proceed in a rather different fashion from the simple irrotational DM models

Kinetic analysis of thermally relativistic flow with dissipation

International Nuclear Information System (INIS)

Yano, Ryosuke; Suzuki, Kojiro

2011-01-01

Nonequilibrium flow of thermally relativistic matter with dissipation is considered in the framework of the relativistic kinetic theory. As an object of the analysis, the supersonic rarefied flow of thermally relativistic matter around the triangle prism is analyzed using the Anderson-Witting model. Obtained numerical results indicate that the flow field changes in accordance with the flow velocity and temperature of the uniform flow owing to both effects derived from the Lorentz contraction and thermally relativistic effects, even when the Mach number of the uniform flow is fixed. The profiles of the heat flux along the stagnation streamline can be approximated on the basis of the relativistic Navier-Stokes-Fourier (NSF) law except for a strong nonequilibrium regime such as the middle of the shock wave and the vicinity of the wall, whereas the profile of the heat flux behind the triangle prism cannot be approximated on the basis of the relativistic NSF law owing to rarefied effects via the expansion behind the triangle prism. Additionally, the heat flux via the gradient of the static pressure is non-negligible owing to thermally relativistic effects. The profile of the dynamic pressure is different from that approximated on the basis of the NSF law, which is obtained by the Eckart decomposition. Finally, variations of convections of the mass and momentum owing to the effects derived from the Lorentz contraction and thermally relativistic effects are numerically confirmed.

Imperfect Dark Matter

Science.gov (United States)

Mirzagholi, Leila; Vikman, Alexander

2015-06-01

We consider cosmology of the recently introduced mimetic matter with higher derivatives (HD). Without HD this system describes irrotational dust—Dark Matter (DM) as we see it on cosmologically large scales. DM particles correspond to the shift-charges—Noether charges of the shifts in the field space. Higher derivative corrections usually describe a deviation from the thermodynamical equilibrium in the relativistic hydrodynamics. Thus we show that mimetic matter with HD corresponds to an imperfect DM which: i) renormalises the Newton's constant in the Friedmann equations, ii) has zero pressure when there is no extra matter in the universe, iii) survives the inflationary expansion which puts the system on a dynamical attractor with a vanishing shift-charge, iv) perfectly tracks any external matter on this attractor, v) can become the main (and possibly the only) source of DM, provided the shift-symmetry in the HD terms is broken during some small time interval in the radiation domination époque. In the second part of the paper we present a hydrodynamical description of general anisotropic and inhomogeneous configurations of the system. This imperfect mimetic fluid has an energy flow in the field's rest frame. We find that in the Eckart and in the Landau-Lifshitz frames the mimetic fluid possesses nonvanishing vorticity appearing already at the first order in the HD. Thus, the structure formation and gravitational collapse should proceed in a rather different fashion from the simple irrotational DM models.

Relativistic theory of particles in a scattering flow III: photon transport.

Science.gov (United States)

Achterberg, A.; Norman, C. A.

2018-06-01

We use the theory developed in Achterberg & Norman (2018a) and Achterberg & Norman (2018b) to calculate the stress due to photons that are scattered elastically by a relativistic flow. We show that the energy-momentum tensor of the radiation takes the form proposed by Eckart (1940). In particular we show that no terms associated with a bulk viscosity appear if one makes the diffusion approximation for radiation transport and treats the radiation as a separate fluid. We find only shear (dynamic) viscosity terms and heat flow terms in our expression for the energy-momentum tensor. This conclusion holds quite generally for different forms of scattering: Krook-type integral scattering, diffusive (Fokker-Planck) scattering and Thomson scattering. We also derive the transport equation in the diffusion approximation that shows the effects of the flow on the photon gas in the form of a combination of adiabatic heating and an irreversible heating term. We find no diffusive changes to the comoving number density and energy density of the scattered photons, in contrast with some published results in Radiation Hydrodynamics. It is demonstrated that these diffusive corrections to the number- and energy density of the photons are in fact higher-order terms that can (and should) be neglected in the diffusion approximation. Our approach eliminates these terms at the root of the expansion that yields the anisotropic terms in the phase-space density of particles and photons, the terms responsible for the photon viscosity.

Changes in ventilation–perfusion during and after an COPD exacerbation: an assessment using fluid dynamic modeling

Directory of Open Access Journals (Sweden)

Hajian B

2018-03-01

Full Text Available Bita Hajian,1 Jan De Backer,2 Wim Vos,2 Wouter H van Geffen,3 Paul De Winter,1 Omar Usmani,4 Tony Cahn,5 Huib AM Kerstjens,3 Massimo Pistolesi,6 Wilfried De Backer1 1Department of Respiratory Medicine, University Hospital Antwerp, Edegem, Belgium; 2FLUIDDA nv, Kontich, Belgium; 3Department of Respiratory Medicine, University Medical Center Groningen, Groningen, the Netherlands; 4Department of Pulmonology, Brompton Hospital, London, UK; 5GSK, London, UK; 6Department of Pulmonary Diseases, University of Firenze, Florence, Italy Introduction: Severe exacerbations associated with chronic obstructive pulmonary disease (COPD that require hospitalization significantly contribute to morbidity and mortality. Definitions for exacerbations are very broad, and it is unclear whether there is one predominant underlying mechanism that leads to them. Functional respiratory imaging (FRI with modeling provides detailed information about airway resistance, hyperinflation, and ventilation–perfusion (V/Q mismatch during and following an acute exacerbation. Materials and methods: Forty-two patients with COPD participating in a multicenter study were assessed by FRI, pulmonary function tests, and self-reported outcome measures during an acute exacerbation and following resolution. Arterial blood gasses and lung function parameters were measured. Results: A significant correlation was found between alveolar–arterial gradient and image-based V/Q (iV/Q, suggesting that iV/Q represents V/Q mismatch during an exacerbation (p<0.05. Conclusion: Recovery of an exacerbation is due to decreased (mainly distal airway resistance (p<0.05. Improvement in patient-reported outcomes were also associated with decreased distal airway resistance (p<0.05, but not with forced expiratory volume. FRI is, therefore, a sensitive tool to describe changes in airway caliber, ventilation, and perfusion during and after exacerbation. On the basis of the fact that FRI increased distal airway

Entropy Transfer between Residue Pairs and Allostery in Proteins: Quantifying Allosteric Communication in Ubiquitin.

Directory of Open Access Journals (Sweden)

Aysima Hacisuleyman

2017-01-01

Full Text Available It has recently been proposed by Gunasakaran et al. that allostery may be an intrinsic property of all proteins. Here, we develop a computational method that can determine and quantify allosteric activity in any given protein. Based on Schreiber's transfer entropy formulation, our approach leads to an information transfer landscape for the protein that shows the presence of entropy sinks and sources and explains how pairs of residues communicate with each other using entropy transfer. The model can identify the residues that drive the fluctuations of others. We apply the model to Ubiquitin, whose allosteric activity has not been emphasized until recently, and show that there are indeed systematic pathways of entropy and information transfer between residues that correlate well with the activities of the protein. We use 600 nanosecond molecular dynamics trajectories for Ubiquitin and its complex with human polymerase iota and evaluate entropy transfer between all pairs of residues of Ubiquitin and quantify the binding susceptibility changes upon complex formation. We explain the complex formation propensities of Ubiquitin in terms of entropy transfer. Important residues taking part in allosteric communication in Ubiquitin predicted by our approach are in agreement with results of NMR relaxation dispersion experiments. Finally, we show that time delayed correlation of fluctuations of two interacting residues possesses an intrinsic causality that tells which residue controls the interaction and which one is controlled. Our work shows that time delayed correlations, entropy transfer and causality are the required new concepts for explaining allosteric communication in proteins.

Laboratory manual on sample preparation procedures for x-ray micro-analysis

International Nuclear Information System (INIS)

1997-01-01

X-ray micro fluorescence is a non-destructive and sensitive method for studying the microscopic distribution of different elements in almost all kinds of samples. Since the beginning of this century, x-rays and electrons have been used for the analysis of many different kinds of material. Techniques which rely on electrons are mainly developed for microscopic studies, and are used in conventional Electron Microscopy (EM) or Scanning Electron Microscopy (SEM), while x-rays are widely used for chemical analysis at the microscopic level. The first chemical analysis by fluorescence spectroscopy using small x-ray beams was conducted in 1928 by Glockner and Schreiber. Since then much work has been devoted to developing different types of optical systems for focusing an x-ray beam, but the efficiency of these systems is still inferior to the conventional electron optical systems. However, even with a poor optical efficiency, the x-ray microbeam has many advantages compared with electron or proton induced x-ray emission methods. These include: The analyses are non-destructive, losses of mass are negligible, and due to the low thermal loading of x-rays, materials which may be thermally degraded can be analysed; Samples can be analysed in air, and no vacuum is required, therefore specimens with volatile components such as water in biological samples, can be imaged at normal pressure and temperature; No charging occurs during analysis and therefore coating of the sample with a conductive layer is not necessary; With these advantages, simpler sample preparation procedures including mounting and preservation can be used

Impact of using different blood donor subpopulations and models on the estimation of transfusion transmission residual risk of human immunodeficiency virus, hepatitis B virus, and hepatitis C virus in Zimbabwe.

Science.gov (United States)

Mapako, Tonderai; Janssen, Mart P; Mvere, David A; Emmanuel, Jean C; Rusakaniko, Simbarashe; Postma, Maarten J; van Hulst, Marinus

2016-06-01

Various models for estimating the residual risk (RR) of transmission of infections by blood transfusion have been published mainly based on data from high-income countries. However, to obtain the data required for such an assessment remains challenging for most developing settings. The National Blood Service Zimbabwe (NBSZ) adapted a published incidence-window period (IWP) model, which has less demanding data requirements. In this study we assess the impact of various definitions of blood donor subpopulations and models on RR estimates. We compared the outcomes of two published models and an adapted NBSZ model. The Schreiber IWP model (Model 1), an amended version (Model 2), and an adapted NBSZ model (Model 3) were applied. Variably the three models include prevalence, incidence, preseroconversion intervals, mean lifetime risk, and person-years at risk. Annual mean RR estimates and 95% confidence intervals for each of the three models for human immunodeficiency virus (HIV), hepatitis B virus (HBV), and hepatitis C virus (HCV) were determined using NBSZ blood donor data from 2002 through 2011. The annual mean RR estimates for Models 1 through 3 were 1 in 6542, 5805, and 6418, respectively for HIV; 1 in 1978, 2027, and 1628 for HBV; and 1 in 9588, 15,126, and 7750, for HCV. The adapted NBSZ model provided comparable results to the published methods and these highlight the high occurrence of HBV in Zimbabwe. The adapted NBSZ model could be used as an alternative to estimate RRs when in settings where two repeat donations are not available. © 2016 AABB.

Entropy Transfer between Residue Pairs and Allostery in Proteins: Quantifying Allosteric Communication in Ubiquitin.

Science.gov (United States)

Hacisuleyman, Aysima; Erman, Burak

2017-01-01

It has recently been proposed by Gunasakaran et al. that allostery may be an intrinsic property of all proteins. Here, we develop a computational method that can determine and quantify allosteric activity in any given protein. Based on Schreiber's transfer entropy formulation, our approach leads to an information transfer landscape for the protein that shows the presence of entropy sinks and sources and explains how pairs of residues communicate with each other using entropy transfer. The model can identify the residues that drive the fluctuations of others. We apply the model to Ubiquitin, whose allosteric activity has not been emphasized until recently, and show that there are indeed systematic pathways of entropy and information transfer between residues that correlate well with the activities of the protein. We use 600 nanosecond molecular dynamics trajectories for Ubiquitin and its complex with human polymerase iota and evaluate entropy transfer between all pairs of residues of Ubiquitin and quantify the binding susceptibility changes upon complex formation. We explain the complex formation propensities of Ubiquitin in terms of entropy transfer. Important residues taking part in allosteric communication in Ubiquitin predicted by our approach are in agreement with results of NMR relaxation dispersion experiments. Finally, we show that time delayed correlation of fluctuations of two interacting residues possesses an intrinsic causality that tells which residue controls the interaction and which one is controlled. Our work shows that time delayed correlations, entropy transfer and causality are the required new concepts for explaining allosteric communication in proteins.

William E. Vidaver (1921-2017): an innovator, enthusiastic scientist, inspiring teacher and a wonderful friend.

Science.gov (United States)

Burr, A H Jay; Vidaver, Aaron; Schreiber, Ulrich; Bruce, Doug; Donnelly, Danielle J

2018-06-01

William (Bill) E. Vidaver (February 2, 1921-August 31, 2017), who did his Ph.D. with Laurence (Larry) R. Blinks at Stanford (1964) and a postdoc with C. Stacy French (1965), taught and did research at Simon Fraser University (SFU) for almost 30 years. Here he published over 80 papers in photosynthesis-related areas co-authored by his graduate students, postdocs, visiting professors and SFU colleagues. He developed a unique high-pressure cuvette for the study of oxygen exchange and studied high-pressure effects in photosynthesis. Ulrich (Uli) Schreiber, as a postdoctoral fellow from Germany, introduced measurements on chlorophyll (Chl) a fluorescence to Bill's lab, leading to the discovery of reversible inhibition of excitation energy transfer between photosynthetic pigments and of a pivotal role of O 2 in the oxidation of the electron transport chain between Photosystem II (PS II) and PS I. Bill's and Uli's work led to a patent of a portable chlorophyll fluorometer, the first available commercially, which was later modified to measure whole plantlets. The latter was used in pioneering measurement of the health of forest and crop plants undergoing in vitro clonal micropropagation. With several other researchers (including Doug Bruce, the late Radovan Popovic, and Sarah Swenson), he localized the quenching site of O 2 and showed a dampening effect on measurements of the four-step process of O 2 production by endogenous oxygen uptake. Bill is remembered as a hard-working but fun-loving person with a keen mind and strong sense of social justice.

SNPs in genes functional in starch-sugar interconversion associate with natural variation of tuber starch and sugar content of potato (Solanum tuberosum L.).

Science.gov (United States)

Schreiber, Lena; Nader-Nieto, Anna Camila; Schönhals, Elske Maria; Walkemeier, Birgit; Gebhardt, Christiane

2014-07-31

Starch accumulation and breakdown are vital processes in plant storage organs such as seeds, roots, and tubers. In tubers of potato (Solanum tuberosum L.) a small fraction of starch is converted into the reducing sugars glucose and fructose. Reducing sugars accumulate in response to cold temperatures. Even small quantities of reducing sugars affect negatively the quality of processed products such as chips and French fries. Tuber starch and sugar content are inversely correlated complex traits that are controlled by multiple genetic and environmental factors. Based on in silico annotation of the potato genome sequence, 123 loci are involved in starch-sugar interconversion, approximately half of which have been previously cloned and characterized. By means of candidate gene association mapping, we identified single-nucleotide polymorphisms (SNPs) in eight genes known to have key functions in starch-sugar interconversion, which were diagnostic for increased tuber starch and/or decreased sugar content and vice versa. Most positive or negative effects of SNPs on tuber-reducing sugar content were reproducible in two different collections of potato cultivars. The diagnostic SNP markers are useful for breeding applications. An allele of the plastidic starch phosphorylase PHO1a associated with increased tuber starch content was cloned as full-length cDNA and characterized. The PHO1a-HA allele has several amino acid changes, one of which is unique among all known starch/glycogen phosphorylases. This mutation might cause reduced enzyme activity due to impaired formation of the active dimers, thereby limiting starch breakdown. Copyright © 2014 Schreiber et al.

Silvicultura „apropiată de natură” a revenit in Romania dupa 20 de ani. Întânirea anuală ProSilva – 28-30 iunie 2017, Sibiu, România [ProSilva Annual Meeting 28-30 June 2017, Sibiu, Romania

Directory of Open Access Journals (Sweden)

Borlea G.F.

2017-07-01

Full Text Available After 20 years, Pro Silva Europe met for the 28th annual meeting in Romania (28-30 June 2017, Sibiu. The meeting was attended by 45 participants from 17 European countries which have met in Sibiu and spent together with Romanian foresters three days in the Romanian forests. In the first day were visited the forests from Avrig Forest District to observe the application of traditional forestry practices being accompanied by Robert Blaj, the manager of the Forestry Directorate from Sibiu. In the second day, together with Mr. Dr. Guiman Gheorghe and other researchers, were visited the forests of the „Marin Dracea” National Institute from the Regional Research Institute Mihaesti, Arges County, where was presented the unevenaged management in beech forest and in the mixed forests of oak and beech. On the last day, along with practitioners, teachers, scholars from the Faculty of Silviculture and Forest Engineering, Transilvania University of Brasov, the host Urda Sorin, the manager of the ”Pădurile Șincii” Forest District, presented to all atendees the 350-hectare natural reserve, recently included on the UNESCO list, along with other virgin forests in Romania. The president of Pro Silva Europa, Eckart Senitza, were impressed by the profesionalism of romanian foresters, researchers and professors which are into ProSilva values and he hopes, along with the experience of European ProSilva members, to extend to a broad scale the principles of ProSilva in Romania for a better forestry in the future

Characterization of HIFU transducers designed for sonochemistry application: Acoustic streaming.

Science.gov (United States)

Hallez, L; Touyeras, F; Hihn, J-Y; Bailly, Y

2016-03-01

Cavitation distribution in a High Intensity Focused Ultrasound sonoreactors (HIFU) has been extensively described in the recent literature, including quantification by an optical method (Sonochemiluminescence SCL). The present paper provides complementary measurements through the study of acoustic streaming generated by the same kind of HIFU transducers. To this end, results of mass transfer measurements (electrodiffusional method) were compared to optical method ones (Particle Image Velocimetry). This last one was used in various configurations: with or without an electrode in the acoustic field in order to have the same perturbation of the wave propagation. Results show that the maximum velocity is not located at the focal but shifted near the transducer, and that this shift is greater for high powers. The two cavitation modes (stationary and moving bubbles) are greatly affect the hydrodynamic behavior of our sonoreactors: acoustic streaming and the fluid generated by bubble motion. The results obtained by electrochemical measurements show the same low hydrodynamic activity in the transducer vicinity, the same shift of the active focal toward the transducer, and the same absence of activity in the post-focal axial zone. The comparison with theoretical Eckart's velocities (acoustic streaming in non-cavitating media) confirms a very high activity at the "sonochemical focal", accounted for by wave distortion, which induced greater absorption coefficients. Moreover, the equivalent liquid velocities are one order of magnitude larger than the ones measured by PIV, confirming the enhancement of mass transfer by bubbles oscillation and collapse close to the surface, rather than from a pure streaming effect. Copyright © 2015 Elsevier B.V. All rights reserved.

Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem.

Science.gov (United States)

Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien

2018-02-21

Quantum mechanical calculations of ro-vibrational energies of CH 4 , CHD 3 , CH 3 D, and CH 3 F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH 3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH 3 . Euler angles specifying the orientation of a frame attached to CH 3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH 4 , CHD 3 , and CH 3 D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH 3 F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.

Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem

Science.gov (United States)

Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H.; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien

2018-02-01

Quantum mechanical calculations of ro-vibrational energies of CH4, CHD3, CH3D, and CH3F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH3. Euler angles specifying the orientation of a frame attached to CH3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH4, CHD3, and CH3D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH3F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.

Interview with James Bradner. Interviewed by Hannah Coaker.

Science.gov (United States)

Bradner, James E

2013-08-01

James E Bradner is an Assistant Professor in Medicine at Harvard Medical School (MA, USA) as well as a Staff Physician in the Division of Hematologic Malignancies at Dana-Farber Cancer Institute (MA, USA). The present research focus of the Bradner laboratory concerns the discovery and optimization of prototype drugs targeting cancer gene regulation. The clinical objective of the Bradner group is to deliver novel therapeutics for human clinical investigation in hematologic diseases. Bradner's awards and honors include the Damon Runyon-Rachleff Innovation Award, the Smith Family Award for Excellence in Biomedical Research, the Dunkin' Donuts Rising Star Award and the HMS Distinguished Excellence in Teaching Award. He is a member of the American Society of Clinical Investigation, the American Society of Hematology, the American Chemical Society and the American Association of Cancer Research. His recent research has been published in Nature, Cell, Nature Chemical Biology and the Journal of the American Chemical Society. He has authored more than 20 US Patent applications, licensed to five pharmaceutical companies, and is a scientific founder of Acetylon Pharmaceuticals, SHAPE Pharmaceuticals, Tensha Therapeutics and Syros Pharmaceuticals. Bradner received his AB from Harvard University, his MD from the University of Chicago (IL, USA) and a MMS from Harvard Medical School. He completed his postgraduate training in Internal Medicine at Brigham & Women's Hospital (MA, USA), followed by a fellowship in Medical Oncology and Hematology at Dana-Farber Cancer Institute. Following additional post-doctoral training in Chemistry at Harvard University and the Broad Institute (MA, USA) with Professor Stuart Schreiber, Bradner joined the research faculty of Dana-Farber in 2008. Interview conducted by Hannah Coaker, Assistant Commissioning Editor.

Aqueducts and geoglyphs : the response of Ancient Nasca to water shortages in the desert of Atacama (Peru)

Science.gov (United States)

Masini, Nicola; Lasaponara, Rosa

2016-04-01

The desert of Atacama is a plateau in South America, covering a 1,000-kilometre strip of land on the Pacific coast, west of the Andes mountains, between Chile and Peru. Due to the confluence of a cold ocean current (the Humboldt Current) along with other climatic factors, connected to the particular topography and geomorphology of the region, Atacama desert is one of the most arid areas of the world. In particular, in Nasca region (Southern Peru) the lack of water was (and still is) due to the following causes: (i) the scarce pluvial precipitations and the (ii) high infiltration capacity, and the consequent yearly significant reduction of the surface water (Schreiber & Lancho Rojas 2009). Over the millennia long periods of drought occurred and frequently the lack of water was persistent for several decades. Despite the arid and extreme nature of the environment, this region was populated by important civilizations, such as Paracas and Nasca, which flourished in the Early Intermediate period (200 BCE-500 AD) (Silvermann & Proulx 2002). In particular the Nasca civilization is well-known for its refined and colourful pottery, characterized by a rich icononographic repertory, and, above all, by the huge and mysterious geoglyphs drawn on the arid plateaus of the Rio Grande de Nasca Basin. In order to practice agriculture, the Nasca developed adequate strategies to cope with hostile environmental factors and water scarcity, building a very efficient aqueduct system. They were aided by the fact that underground water was likely enough close to the surface and accessible by constructing wells and underground aqueducts, known with quechua name of puquios (Schreiber & Lancho Rojas 2009; Lasaponara & Masini 2012a; 2012b) The effectiveness of the techniques of hydraulic engineering depended on the climate and the weather events that sometimes underwent drastic changes, as results of the cyclical phenomenon of El Niño Southern Oscillation (commonly called ENSO). Hence the

Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

Energy Technology Data Exchange (ETDEWEB)

Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany and Max-Planck Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

2015-07-28

Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2011-11-21

The recently proposed spin-adapted time-dependent density functional theory (S-TD-DFT) [Z. Li and W. Liu, J. Chem. Phys. 133, 064106 (2010)] resolves the spin-contamination problem in describing singly excited states of high spin open-shell systems. It is an extension of the standard restricted open-shell Kohn-Sham-based TD-DFT which can only access those excited states due to singlet-coupled single excitations. It is also far superior over the unrestricted Kohn-Sham-based TD-DFT (U-TD-DFT) which suffers from severe spin contamination for those excited states due to triplet-coupled single excitations. Nonetheless, the accuracy of S-TD-DFT for high spin open-shell systems is still inferior to TD-DFT for well-behaved closed-shell systems. The reason can be traced back to the violation of the spin degeneracy conditions (SDC) by approximate exchange-correlation (XC) functionals. Noticing that spin-adapted random phase approximation (S-RPA) can indeed maintain the SDC by virtue of the Wigner-Eckart theorem, a hybrid ansatz combining the good of S-TD-DFT and S-RPA can immediately be envisaged. The resulting formalism, dubbed as X-TD-DFT, is free of spin contamination and can also be viewed as a S-RPA correction to the XC kernel of U-TD-DFT. Compared with S-TD-DFT, X-TD-DFT leads to much improved results for the low-lying excited states of, e.g., N(2)(+), yet with much reduced computational cost. Therefore, X-TD-DFT can be recommended for routine calculations of excited states of high spin open-shell systems.

Semiclassical methods in chemical reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

Keshavamurthy, Srihari [Univ. of California, Berkeley, CA (United States)

1994-12-01

Semiclassical approximations, simple as well as rigorous, are formulated in order to be able to describe gas phase chemical reactions in large systems. We formulate a simple but accurate semiclassical model for incorporating multidimensional tunneling in classical trajectory simulations. This model is based on the existence of locally conserved actions around the saddle point region on a multidimensional potential energy surface. Using classical perturbation theory and monitoring the imaginary action as a function of time along a classical trajectory we calculate state-specific unimolecular decay rates for a model two dimensional potential with coupling. Results are in good comparison with exact quantum results for the potential over a wide range of coupling constants. We propose a new semiclassical hybrid method to calculate state-to-state S-matrix elements for bimolecular reactive scattering. The accuracy of the Van Vleck-Gutzwiller propagator and the short time dynamics of the system make this method self-consistent and accurate. We also go beyond the stationary phase approximation by doing the resulting integrals exactly (numerically). As a result, classically forbidden probabilties are calculated with purely real time classical trajectories within this approach. Application to the one dimensional Eckart barrier demonstrates the accuracy of this approach. Successful application of the semiclassical hybrid approach to collinear reactive scattering is prevented by the phenomenon of chaotic scattering. The modified Filinov approach to evaluating the integrals is discussed, but application to collinear systems requires a more careful analysis. In three and higher dimensional scattering systems, chaotic scattering is suppressed and hence the accuracy and usefulness of the semiclassical method should be tested for such systems.

Semiclassical methods in chemical reaction dynamics

International Nuclear Information System (INIS)

Keshavamurthy, S.

1994-12-01

Semiclassical approximations, simple as well as rigorous, are formulated in order to be able to describe gas phase chemical reactions in large systems. We formulate a simple but accurate semiclassical model for incorporating multidimensional tunneling in classical trajectory simulations. This model is based on the existence of locally conserved actions around the saddle point region on a multidimensional potential energy surface. Using classical perturbation theory and monitoring the imaginary action as a function of time along a classical trajectory we calculate state-specific unimolecular decay rates for a model two dimensional potential with coupling. Results are in good comparison with exact quantum results for the potential over a wide range of coupling constants. We propose a new semiclassical hybrid method to calculate state-to-state S-matrix elements for bimolecular reactive scattering. The accuracy of the Van Vleck-Gutzwiller propagator and the short time dynamics of the system make this method self-consistent and accurate. We also go beyond the stationary phase approximation by doing the resulting integrals exactly (numerically). As a result, classically forbidden probabilties are calculated with purely real time classical trajectories within this approach. Application to the one dimensional Eckart barrier demonstrates the accuracy of this approach. Successful application of the semiclassical hybrid approach to collinear reactive scattering is prevented by the phenomenon of chaotic scattering. The modified Filinov approach to evaluating the integrals is discussed, but application to collinear systems requires a more careful analysis. In three and higher dimensional scattering systems, chaotic scattering is suppressed and hence the accuracy and usefulness of the semiclassical method should be tested for such systems

Rotations et moments angulaires enmécanique quantique

Science.gov (United States)

van de Wiele, J.

Rotations and angular moments in quantum mechanics As in classical mechanics, rotation in quantum mechanics is a transformation which deals with angular momentum. The difference with classical mechanics comes from the fact that angular momentum is a vector operator and not a usual vector and its components do not commute. As for any transformation in quantum mechanics, to each rotation we can associate an operator which acts in state space. The expression of this operator depends on whether the rotation is passive, that is we do a rotation of the coordinate axes and the physical system is left unchanged, or active, in which case the coordinate axes are unchanged and the rotation is performed on the physical system. In the first part (Chaps. 1 and 2) of this book, details concerning both aspects are given. Following the definition of the geometrical transformation associated with the most general rotation, we give the expression of the rotation operator for specific cases. Transformation laws for scalar fields, vector fields and spinor fields are given as well as transformation laws for scalar operators, vector operators and more generally, for operators of any rank. The second part (Chaps. 3 and 4) deals with angular momentum algebra. We define the coupling coefficients of 2, 3 and 4 angular momenta as well as the recoupling coefficients. The definition of the irreductible tensor operator, which is a generalisation of scalar and vector operators, is given as well as the Wigner-Eckart theorem. The application of this theorem to more complex cases is studied. Comme en mécanique classique, la rotation en mécanique quantique est une transformation qui fait intervenir le moment cinétique. La différence avec la mécanique classique vient du fait que le moment cinétique est un opérateur vectoriel et non pas un vecteur ordinaire, et que ses composantes ne commutent pas deux-à-deux. Comme pour toute transformation en mécanique quantique, à chaque rotation est

Environment informatin systems. Data requests and acquisition of information acording to the theme environment and health; Umweltinformationssysteme. Datenanforderungen und Informationsgewinnung zum Themenbereich Umwelt und Gesundheit

Energy Technology Data Exchange (ETDEWEB)

NONE

2010-12-15

Within the workshop of the working group 'Environmental Information System' of the specialized group 'Informatics in environmental protection' from 27th to 28th May, 2010, in Leipzig (Federal Republic of Germany) the following lectures were held: (1) Environment and health: Data for deeds (Hedi Schreiber); (2) Fundamental data to describe health-related environmental pollution of humans in Germany (Andre Conrad); (3) Noxen information system NIS - a material information system for the Public Health Service (Cerstin Finke); (4) Biocide portal ''Fly-swatter instead of spray can' (Gunnar Minx); (5) The web supported information portal nature protection and health (NatGesIS) in the Federal Office for Nature Conservation (Beate Job-Hoben); (6) The information system of ecologic building materials WECOBIS (Rainer Weidemann); (7) Integration of remote sensing data, geodata and health data in geographical information infrastructure for the prediction of environmentally influenced health hazards - EO2HEAVEN (Silke Richter); (8) Transnational data of the state of soil tools and requirements from the view of the Federal Environment Office (Falk Hilliges); (9) Information system for the monitoring of forests in Europa data management in the EU project FutMon (Friedhelm Hosenfeld); (10) Environmental performance and urban development - On the urban space distribution of health relevant environmental pollution in the region Berlin (Heinz-Josef Klimeczek); (11) InGrid {sup registered} - a software for the development of environmental information systems (Fred Kruse); (12) Linked environmental data (Maria Ruether); (13) HIPPOLYTOS - Intuitive, overlapping research of environmental data and geological data by means of semantic technologies (Gergely Lukacs); (14) Tool for a flexible data exchange between specialized information systems (Rene Poeschel); (15) A technical concept of research information systems of the EU project ICT-ENSURE (Richard Lutz).

Nonlinear Dynamics, Chaotic and Complex Systems

Science.gov (United States)

Infeld, E.; Zelazny, R.; Galkowski, A.

2011-04-01

Part I. Dynamic Systems Bifurcation Theory and Chaos: 1. Chaos in random dynamical systems V. M. Gunldach; 2. Controlling chaos using embedded unstable periodic orbits: the problem of optimal periodic orbits B. R. Hunt and E. Ott; 3. Chaotic tracer dynamics in open hydrodynamical flows G. Karolyi, A. Pentek, T. Tel and Z. Toroczkai; 4. Homoclinic chaos L. P. Shilnikov; Part II. Spatially Extended Systems: 5. Hydrodynamics of relativistic probability flows I. Bialynicki-Birula; 6. Waves in ionic reaction-diffusion-migration systems P. Hasal, V. Nevoral, I. Schreiber, H. Sevcikova, D. Snita, and M. Marek; 7. Anomalous scaling in turbulence: a field theoretical approach V. Lvov and I. Procaccia; 8. Abelian sandpile cellular automata M. Markosova; 9. Transport in an incompletely chaotic magnetic field F. Spineanu; Part III. Dynamical Chaos Quantum Physics and Foundations Of Statistical Mechanics: 10. Non-equilibrium statistical mechanics and ergodic theory L. A. Bunimovich; 11. Pseudochaos in statistical physics B. Chirikov; 12. Foundations of non-equilibrium statistical mechanics J. P. Dougherty; 13. Thermomechanical particle simulations W. G. Hoover, H. A. Posch, C. H. Dellago, O. Kum, C. G. Hoover, A. J. De Groot and B. L. Holian; 14. Quantum dynamics on a Markov background and irreversibility B. Pavlov; 15. Time chaos and the laws of nature I. Prigogine and D. J. Driebe; 16. Evolutionary Q and cognitive systems: dynamic entropies and predictability of evolutionary processes W. Ebeling; 17. Spatiotemporal chaos information processing in neural networks H. Szu; 18. Phase transitions and learning in neural networks C. Van den Broeck; 19. Synthesis of chaos A. Vanecek and S. Celikovsky; 20. Computational complexity of continuous problems H. Wozniakowski; Part IV. Complex Systems As An Interface Between Natural Sciences and Environmental Social and Economic Sciences: 21. Stochastic differential geometry in finance studies V. G. Makhankov; Part V. Conference Banquet

Environment informatin systems. Data requests and acquisition of information acording to the theme environment and health; Umweltinformationssysteme. Datenanforderungen und Informationsgewinnung zum Themenbereich Umwelt und Gesundheit

Energy Technology Data Exchange (ETDEWEB)

NONE

2010-12-15

Within the workshop of the working group 'Environmental Information System' of the specialized group 'Informatics in environmental protection' from 27th to 28th May, 2010, in Leipzig (Federal Republic of Germany) the following lectures were held: (1) Environment and health: Data for deeds (Hedi Schreiber); (2) Fundamental data to describe health-related environmental pollution of humans in Germany (Andre Conrad); (3) Noxen information system NIS - a material information system for the Public Health Service (Cerstin Finke); (4) Biocide portal ''Fly-swatter instead of spray can' (Gunnar Minx); (5) The web supported information portal nature protection and health (NatGesIS) in the Federal Office for Nature Conservation (Beate Job-Hoben); (6) The information system of ecologic building materials WECOBIS (Rainer Weidemann); (7) Integration of remote sensing data, geodata and health data in geographical information infrastructure for the prediction of environmentally influenced health hazards - EO2HEAVEN (Silke Richter); (8) Transnational data of the state of soil tools and requirements from the view of the Federal Environment Office (Falk Hilliges); (9) Information system for the monitoring of forests in Europa data management in the EU project FutMon (Friedhelm Hosenfeld); (10) Environmental performance and urban development - On the urban space distribution of health relevant environmental pollution in the region Berlin (Heinz-Josef Klimeczek); (11) InGrid {sup registered} - a software for the development of environmental information systems (Fred Kruse); (12) Linked environmental data (Maria Ruether); (13) HIPPOLYTOS - Intuitive, overlapping research of environmental data and geological data by means of semantic technologies (Gergely Lukacs); (14) Tool for a flexible data exchange between specialized information systems (Rene Poeschel); (15) A technical concept of research information systems of the EU project ICT-ENSURE (Richard

Modulation of the activity of N-methyl-D-aspartate receptors as a novel treatment option for depression: current clinical evidence and therapeutic potential of rapastinel (GLYX-13

Directory of Open Access Journals (Sweden)

Vasilescu AN

2017-03-01

Full Text Available Andrei-Nicolae Vasilescu,1,* Nina Schweinfurth,2,* Stefan Borgwardt,2,* Peter Gass,1 Undine E Lang,2,* Dragos Inta,1,2,* Sarah Eckart2,* 1Department of Psychiatry and Psychotherapy, Central Institute of Mental Health, Medical Faculty Mannheim, Heidelberg University, Heidelberg, Germany; 2Department of Psychiatry (Universitäre Psychiatrische Kliniken, University of Basel, Basel, Switzerland *These authors contributed equally to this work Abstract: Classical monoaminergic antidepressants show several disadvantages, such as protracted onset of therapeutic action. Conversely, the fast and sustained antidepressant effect of the N-methyl-d-aspartate receptor (NMDAR antagonist ketamine raises vast interest in understanding the role of the glutamate system in mood disorders. Indeed, numerous data support the existence of glutamatergic dysfunction in major depressive disorder (MDD. Drawback to this short-latency therapy is its side effect profile, especially the psychotomimetic action, which seriously hampers the common and widespread clinical use of ketamine. Therefore, there is a substantial need for alternative glutamatergic antidepressants with milder side effects. In this article, we review evidence that implicates NMDARs in the prospective treatment of MDD with focus on rapastinel (formerly known as GLYX-13, a novel synthetic NMDAR modulator with fast antidepressant effect, which acts by enhancing NMDAR function as opposed to blocking it. We summarize and discuss current clinical and animal studies regarding the therapeutic potential of rapastinel not only in MDD but also in other psychiatric disorders, such as obsessive–compulsive disorder and posttraumatic stress disorder. Additionally, we discuss current data concerning the molecular mechanisms underlying the antidepressant effect of rapastinel, highlighting common aspects as well as differences to ketamine. In 2016, rapastinel received the Breakthrough Therapy designation for the treatment

Nail psoriasis: clinical features, pathogenesis, differential diagnoses, and management

Directory of Open Access Journals (Sweden)

Haneke E

2017-10-01

Full Text Available Eckart Haneke1–4 1Department of Dermatology, Inselspital, University of Bern, Bern, Switzerland; 2Dermatology Practice Dermaticum, Freiburg, Germany; 3Centro de Dermatología Epidermis, Instituto CUF, Porto, Portugal; 4Department of Dermatology, University Hospital, Gent, Belgium Abstract: Psoriasis is the skin disease that most frequently affects the nails. Depending on the very nail structure involved, different clinical nail alterations can be observed. Irritation of the apical matrix results in psoriatic pits, mid-matrix involvement may cause leukonychia, whole matrix affection may lead to red lunulae or severe nail dystrophy, nail bed involvement may cause salmon spots, subungual hyperkeratosis, and splinter hemorrhages, and psoriasis of the distal nail bed and hyponychium causes onycholysis whereas that of the proximal nail fold causes psoriatic paronychia. The more extensive the involvement, the more severe is the nail destruction. Pustular psoriasis may be seen as yellow spots under the nail or, in case of acrodermatitis continua suppurativa, as an insidious progressive loss of the nail organ. Nail psoriasis has a severe impact on quality of life and may interfere with professional and other activities. Management includes patient counseling, avoidance of stress and strain to the nail apparatus, and different types of treatment. Topical therapy may be tried but is rarely sufficiently efficient. Perilesional injections with corticosteroids and methotrexate are often beneficial but may be painful and cannot be applied to many nails. All systemic treatments clearing widespread skin lesions usually also clear the nail lesions. Recently, biologicals were introduced into nail psoriasis treatment and found to be very effective. However, their use is restricted to severe cases due to high cost and potential systemic adverse effects. Keywords: nail psoriasis, etiology, pathology, quality of life, impact, treatment

Quasiclassical trajectory studies of the O(3P) + CX4(vk = 0, 1) → OXv + CX3(n1n2n3n4) [X = H and D] reactions on an ab initio potential energy surface.

Science.gov (United States)

Czakó, Gábor; Liu, Rui; Yang, Minghui; Bowman, Joel M; Guo, Hua

2013-08-01

We report quasiclassical trajectory calculations of the integral and differential cross sections and the mode-specific product state distributions for the "central-barrier" O((3)P) + CH4/CD4(vk = 0, 1) [k = 1, 2, 3, 4] reactions using a full-dimensional ab initio potential energy surface. The mode-specific vibrational distributions for the polyatomic methyl products are obtained by doing a normal-mode analysis in the Eckart frame, followed by standard histogram binning (HB) and energy-based Gaussian binning (1GB). The reactant bending excitations slightly enhance the reactivity, whereas stretching excitations activate the reaction more efficiently. None of the reactant vibrational excitations is as efficient as an equivalent amount of translational energy to promote the reactions. The excitation functions without product zero-point energy (ZPE) constraint are in good agreement with previous 8-dimensional quantum mechanical (QM) results for the ground-state and stretching-excited O + CH4 reactions, whereas for the bending-excited reactions the soft ZPE constraint, which is applied to the sum of the product vibrational energies, provides better agreement with the QM cross sections. All angular distributions show the dominance of backward scattering indicating a direct rebound mechanism, in agreement with experiment. The title reactions produce mainly OH/OD(v = 0) products for all the initial states. HB significantly overestimates the populations of OH/OD(v = 1), especially in the energetic threshold regions, whereas 1GB provides physically correct results. The CH3/CD3 vibrational distributions show dominant populations for ground (v = 0), umbrella-excited (v2 = 1, 2), in-plane-bending-excited (v4 = 1), and v2 + v4 methyl product states. Neither translational energy nor reactant vibrational excitation transfers significantly into product vibrations.

A theoretical study of the H-abstraction reactions from HOI by moist air radiolytic products (H, OH, and O (3P)) and iodine atoms (2P(3/2)).

Science.gov (United States)

Hammaecher, Catherine; Canneaux, Sébastien; Louis, Florent; Cantrel, Laurent

2011-06-23

The rate constants of the reactions of HOI molecules with H, OH, O ((3)P), and I ((2)P(3/2)) atoms have been estimated over the temperature range 300-2500 K using four different levels of theory. Geometry optimizations and vibrational frequency calculations are performed using MP2 methods combined with two basis sets (cc-pVTZ and 6-311G(d,p)). Single-point energy calculations are performed with the highly correlated ab initio coupled cluster method in the space of single, double, and triple (pertubatively) electron excitations CCSD(T) using the cc-pVTZ, cc-pVQZ, 6-311+G(3df,2p), and 6-311++G(3df,3pd) basis sets. Reaction enthalpies at 0 K were calculated at the CCSD(T)/cc-pVnZ//MP2/cc-pVTZ (n = T and Q), CCSD(T)/6-311+G(3df,2p)//MP2/6-311G(d,p), and CCSD(T)/6-311++G(3df,3pd)//MP2/6-311G(d,p) levels of theory and compared to the experimental values taken from the literature. Canonical transition-state theory with an Eckart tunneling correction is used to predict the rate constants as a function of temperature. The computational procedure has been used to predict rate constants for H-abstraction elementary reactions because there are actually no literature data to which the calculated rate constants can be directly compared. The final objective is to implement kinetics of gaseous reactions in the ASTEC (accident source term evaluation code) program to improve speciation of fission products, which can be transported along the reactor coolant system (RCS) of a pressurized water reactor (PWR) in the case of a severe accident.

Remote Monitoring of Hypertension Diseases in Pregnancy: A Pilot Study.

Science.gov (United States)

Lanssens, Dorien; Vandenberk, Thijs; Smeets, Christophe Jp; De Cannière, Hélène; Molenberghs, Geert; Van Moerbeke, Anne; van den Hoogen, Anne; Robijns, Tiziana; Vonck, Sharona; Staelens, Anneleen; Storms, Valerie; Thijs, Inge M; Grieten, Lars; Gyselaers, Wilfried

2017-03-09

interventions and as such to ever increasing medicalized antenatal care. ©Dorien Lanssens, Thijs Vandenberk, Christophe JP Smeets, Hélène De Cannière, Geert Molenberghs, Anne Van Moerbeke, Anne van den Hoogen, Tiziana Robijns, Sharona Vonck, Anneleen Staelens, Valerie Storms, Inge M Thijs, Lars Grieten, Wilfried Gyselaers. Originally published in JMIR Mhealth and Uhealth (http://mhealth.jmir.org), 09.03.2017.

Multiple Citation Indicators and Their Composite across Scientific Disciplines.

Science.gov (United States)

Ioannidis, John P A; Klavans, Richard; Boyack, Kevin W

2016-07-01

Many fields face an increasing prevalence of multi-authorship, and this poses challenges in assessing citation metrics. Here, we explore multiple citation indicators that address total impact (number of citations, Hirsch H index [H]), co-authorship adjustment (Schreiber Hm index [Hm]), and author order (total citations to papers as single; single or first; or single, first, or last author). We demonstrate the correlation patterns between these indicators across 84,116 scientists (those among the top 30,000 for impact in a single year [2013] in at least one of these indicators) and separately across 12 scientific fields. Correlation patterns vary across these 12 fields. In physics, total citations are highly negatively correlated with indicators of co-authorship adjustment and of author order, while in other sciences the negative correlation is seen only for total citation impact and citations to papers as single author. We propose a composite score that sums standardized values of these six log-transformed indicators. Of the 1,000 top-ranked scientists with the composite score, only 322 are in the top 1,000 based on total citations. Many Nobel laureates and other extremely influential scientists rank among the top-1,000 with the composite indicator, but would rank much lower based on total citations. Conversely, many of the top 1,000 authors on total citations have had no single/first/last-authored cited paper. More Nobel laureates of 2011-2015 are among the top authors when authors are ranked by the composite score than by total citations, H index, or Hm index; 40/47 of these laureates are among the top 30,000 by at least one of the six indicators. We also explore the sensitivity of indicators to self-citation and alphabetic ordering of authors in papers across different scientific fields. Multiple indicators and their composite may give a more comprehensive picture of impact, although no citation indicator, single or composite, can be expected to select all the

Multiple Citation Indicators and Their Composite across Scientific Disciplines.

Directory of Open Access Journals (Sweden)

John P A Ioannidis

2016-07-01

Full Text Available Many fields face an increasing prevalence of multi-authorship, and this poses challenges in assessing citation metrics. Here, we explore multiple citation indicators that address total impact (number of citations, Hirsch H index [H], co-authorship adjustment (Schreiber Hm index [Hm], and author order (total citations to papers as single; single or first; or single, first, or last author. We demonstrate the correlation patterns between these indicators across 84,116 scientists (those among the top 30,000 for impact in a single year [2013] in at least one of these indicators and separately across 12 scientific fields. Correlation patterns vary across these 12 fields. In physics, total citations are highly negatively correlated with indicators of co-authorship adjustment and of author order, while in other sciences the negative correlation is seen only for total citation impact and citations to papers as single author. We propose a composite score that sums standardized values of these six log-transformed indicators. Of the 1,000 top-ranked scientists with the composite score, only 322 are in the top 1,000 based on total citations. Many Nobel laureates and other extremely influential scientists rank among the top-1,000 with the composite indicator, but would rank much lower based on total citations. Conversely, many of the top 1,000 authors on total citations have had no single/first/last-authored cited paper. More Nobel laureates of 2011-2015 are among the top authors when authors are ranked by the composite score than by total citations, H index, or Hm index; 40/47 of these laureates are among the top 30,000 by at least one of the six indicators. We also explore the sensitivity of indicators to self-citation and alphabetic ordering of authors in papers across different scientific fields. Multiple indicators and their composite may give a more comprehensive picture of impact, although no citation indicator, single or composite, can be expected to

The impact of population growth on environment: the debate heats up.

Science.gov (United States)

Shaw, R P

1992-02-01

. The evidence suggests that population limitation will probably prevent environmental degradation in poor, resource constrained countries from getting worse. Resource conservation will remain unaffected. The World Bank proposes National Environmental Action Plans or the Cleaver Schreiber proposal for a "nexus strategy" for balancing food supply and population in Africa.

Ab initio chemical kinetics for SiH3 reactions with Si(x)H2x+2 (x = 1-4).

Science.gov (United States)

Raghunath, P; Lin, M C

2010-12-30

Gas-phase kinetics and mechanisms of SiH(3) reactions with SiH(4), Si(2)H(6), Si(3)H(8), and Si(4)H(10), processes of relevance to a-Si thin-film deposition, have been investigated by ab initio molecular orbital and transition-state theory (TST) calculations. Geometric parameters of all the species involved in the title reactions were optimized by density functional theory at the B3LYP and BH&HLYP levels with the 6-311++G(3df,2p) basis set. The potential energy surface of each reaction was refined at the CCSD(T)/6-311++G(3df,2p) level of theory. The results show that the most favorable low energy pathways in the SiH(3) reactions with these silanes occur by H abstraction, leading to the formation of SiH(4) + Si(x)H(2x+1) (silanyl) radicals. For both Si(3)H(8) and n-Si(4)H(10) reactions, the lowest energy barrier channels take place by secondary Si-H abstraction, yielding SiH(4) + s-Si(3)H(7) and SiH(4) + s-Si(4)H(9), respectively. In the i-Si(4)H(10) reaction, tertiary Si-H abstraction has the lowest barrier producing SiH(4) + t-Si(4)H(9). In addition, direct SiH(3)-for-X substitution reactions forming Si(2)H(6) + X (X = H or silanyls) can also occur, but with significantly higher reaction barriers. A comparison of the SiH(3) reactions with the analogous CH(3) reactions with alkanes has been made. The rate constants for low-energy product channels have been calculated for the temperature range 300-2500 K by TST with Eckart tunneling corrections. These results, together with predicted heats of formation of various silanyl radicals and Si(4)H(10) isomers, have been tabulated for modeling of a-Si:H film growth by chemical vapor deposition.

The equivalence myth of quantum mechanics-part II

Science.gov (United States)

Muller, F. A.

The author endeavours to show two things: first, that Schrödingers (and Eckarts) demonstration in March (September) 1926 of the equivalence of matrix mechanics, as created by Heisenberg, Born, Jordan and Dirac in 1925, and wave mechanics, as created by Schrödinger in 1926, is not foolproof; and second, that it could not have been foolproof, because at the time matrix mechanics and wave mechanics were neither mathematically nor empirically equivalent. That they were is the Equivalence Myth. In order to make the theories equivalent and to prove this, one has to leave the historical scene of 1926 and wait until 1932, when von Neumann finished his magisterial edifice. During the period 1926-1932 the original families of mathematical structures of matrix mechanics and of wave mechanics were stretched, parts were chopped off and novel structures were added. To Procrustean places we go, where we can demonstrate the mathematical, empirical and ontological equivalence of 'the final versions of' matrix mechanics and wave mechanics. The present paper claims to be a comprehensive analysis of one of the pivotal papers in the history of quantum mechanics: Schrödingers equivalence paper. Since the analysis is performed from the perspective of Suppes structural view ('semantic view') of physical theories, the present paper can be regarded not only as a morsel of the internal history of quantum mechanics, but also as a morsel of applied philosophy of science. The paper is self-contained and presupposes only basic knowledge of quantum mechanics. For reasons of length, the paper is published in two parts; Part I appeared in the previous issue of this journal. Section 1 contains, besides an introduction, also the papers five claims and a preview of the arguments supporting these claims; so Part I, Section 1 may serve as a summary of the paper for those readers who are not interested in the detailed arguments.

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Wagner, Albert F., E-mail: wagner@anl.gov [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439 (United States); Dawes, Richard [Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409 (United States); Continetti, Robert E. [Department of Chemistry and Biochemistry, University of California, San Diego, California 92093 (United States); Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

2014-08-07

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO{sub 2} on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO₂.

Science.gov (United States)

Wagner, Albert F; Dawes, Richard; Continetti, Robert E; Guo, Hua

2014-08-07

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO2 on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least

Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2

International Nuclear Information System (INIS)

Wagner, Albert F.; Dawes, Richard; Continetti, Robert E.; Guo, Hua

2014-01-01

The measured H(D)OCO survival fractions of the photoelectron-photofragment coincidence experiments by the Continetti group are qualitatively reproduced by tunneling calculations to H(D) + CO 2 on several recent ab initio potential energy surfaces for the HOCO system. The tunneling calculations involve effective one-dimensional barriers based on steepest descent paths computed on each potential energy surface. The resulting tunneling probabilities are converted into H(D)OCO survival fractions using a model developed by the Continetti group in which every oscillation of the H(D)-OCO stretch provides an opportunity to tunnel. Four different potential energy surfaces are examined with the best qualitative agreement with experiment occurring for the PIP-NN surface based on UCCSD(T)-F12a/AVTZ electronic structure calculations and also a partial surface constructed for this study based on CASPT2/AVDZ electronic structure calculations. These two surfaces differ in barrier height by 1.6 kcal/mol but when matched at the saddle point have an almost identical shape along their reaction paths. The PIP surface is a less accurate fit to a smaller ab initio data set than that used for PIP-NN and its computed survival fractions are somewhat inferior to PIP-NN. The LTSH potential energy surface is the oldest surface examined and is qualitatively incompatible with experiment. This surface also has a small discontinuity that is easily repaired. On each surface, four different approximate tunneling methods are compared but only the small curvature tunneling method and the improved semiclassical transition state method produce useful results on all four surfaces. The results of these two methods are generally comparable and in qualitative agreement with experiment on the PIP-NN and CASPT2 surfaces. The original semiclassical transition state theory method produces qualitatively incorrect tunneling probabilities on all surfaces except the PIP. The Eckart tunneling method uses the least

3. forum bioenergy. Politics, market, finances, marketing and distribution, export. Proceedings 2007; 3. Forum Bioenergie. Politik, Markt, Finanzierung, Marketing and Vertrieb, Export. Tagungsband 2007

Energy Technology Data Exchange (ETDEWEB)

NONE

2007-07-01

The following lectures were held (selection of topics): The decision to the thermal energy law and EEG from the cabinet meeting at 5th December, 2007 (Heiko Schwarzburger); Comment of the opposition to the cabinet decisions and outline of the political activities of the European policy (Heinz-Josef Fell); The meaning of new systems for utilization of land for soil protection and climatic change (Uwe Schneider); State of the art: laws and terms of references (Lothar Breidenbach); Bioenergy the interface industry - strategic challenges (Hilmar Platz); Actual developments with the promotion of the bioenergy by EEG and thermal energy law (Nicole Pippke); National biomass strategies in the European Union - project BAP DRIVER (Alexandra Lermen); Effects of the trade from biofuels to meet the development extensions of the European Union on area requirements (Enver Doruk Oezdemir); Energy region Rhein-Sieg: Renewable energies in the association - modelling of self-sufficient regions (Rolf Beyer); Potentials of value added in regions - results from the BMU project BioRegio (Georg Wagener Lohse); Posibilities and terms of references for increasing the potentials of biomass (Cornelia Behm); What can bioenergies perform in mix of renewable energies? - Discussion contribution for the limited potential of the bio energies (Susanne Jung); Panel discussion with representatives from the policy: Surface competition - full grain instead of full power; Fermentation gas - economy and experiences from bank view (Joerg-Uwe Fischer); Financing concept of large-scale projects by the example of the biological gas facility in Penkun (Balthasar Schramm); Economy factors for the gas feed - examples from consultant practice (Markus Helm); Stabilization or endangerment agriculture? Realizations from the field study 'biological gas facilities in Bavaria' (Wilfried Zoerner); Bioenergy - chances for investors (Daniel Kellermann); Private Equity within the range of bioenergy (Andrew Murphy

Photovoltaic reciprocity and quasi-Fermi level splitting in nanostructure-based solar cells (Conference Presentation)

Science.gov (United States)

Aeberhard, Urs

2017-04-01

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions [1]. So far, the theory has been verified for a wide range of devices and material systems and forms the basis of a growing number of luminesecence imaging techniques used in the characterization of photovoltaic materials, cells and modules [2-5]. However, there are also some examples where the theory fails, such as in the case of amorphous silicon. In our contribution, we critically assess the assumptions made in the derivation of the theory and compare its predictions with rigorous formal relations as well as numerical computations in the framework of a comprehensive quantum-kinetic theory of photovoltaics [6] as applied to ultra-thin absorber architectures [7]. One of the main applications of the photovoltaic reciprocity relation is the determination of quasi-Fermi level splittings (QFLS) in solar cells from the measurement of luminescence. In nanostructure-based photovoltaic architectures, the determination of QFLS is challenging, but instrumental to assess the performance potential of the concepts. Here, we use our quasi-Fermi level-free theory to investigate existence and size of QFLS in quantum well and quantum dot solar cells. [1] Uwe Rau. Reciprocity relation between photovoltaic quantum efficiency and electrolumines- cent emission of solar cells. Phys. Rev. B, 76(8):085303, 2007. [2] Thomas Kirchartz and Uwe Rau. Electroluminescence analysis of high efficiency cu(in,ga)se2 solar cells. J. Appl. Phys., 102(10), 2007. [3] Thomas Kirchartz, Uwe Rau, Martin Hermle, Andreas W. Bett, Anke Helbig, and Jrgen H. Werner. Internal voltages in GaInP-GaInAs-Ge multijunction solar cells determined by electro- luminescence measurements. Appl. Phys. Lett., 92(12), 2008. [4] Thomas Kirchartz, Anke Helbig, Wilfried Reetz, Michael Reuter, Jürgen H. Werner, and

Lineshape theory of pigment-protein complexes: How the finite relaxation time of nuclei influences the exciton relaxation-induced lifetime broadening

Energy Technology Data Exchange (ETDEWEB)

Dinh, Thanh-Chung; Renger, Thomas, E-mail: thomas.renger@jku.at [Institut für Theoretische Physik, Johannes Kepler University Linz, Altenberger Str. 69, 4040 Linz (Austria)

2016-07-21

In pigment-protein complexes, often the excited states are partially delocalized and the exciton-vibrational coupling in the basis of delocalized states contains large diagonal and small off-diagonal elements. This inequality may be used to introduce potential energy surfaces (PESs) of exciton states and to treat the inter-PES coupling in Markov and secular approximations. The resulting lineshape function consists of a Lorentzian peak that is broadened by the finite lifetime of the exciton states caused by the inter-PES coupling and a vibrational sideband that results from the mutual displacement of the excitonic PESs with respect to that of the ground state. So far analytical expressions have been derived that relate the exciton relaxation-induced lifetime broadening to the Redfield [T. Renger and R. A. Marcus, J. Chem. Phys. 116, 9997 (2002)] or modified Redfield [M. Schröder, U. Kleinekathöfer, and M. Schreiber, J. Chem. Phys. 124, 084903 (2006)] rate constants of exciton relaxation, assuming that intra-PES nuclear relaxation is fast compared to inter-PES transfer. Here, we go beyond this approximation and provide an analytical expression, termed Non-equilibrium Modified Redfield (NeMoR) theory, for the lifetime broadening that takes into account the finite nuclear relaxation time. In an application of the theory to molecular dimers, we find that, for a widely used experimental spectral density of the exciton-vibrational coupling of pigment-protein complexes, the NeMoR spectrum at low-temperatures (T < 150 K) is better approximated by Redfield than by modified Redfield theory. At room temperature, the lifetime broadening obtained with Redfield theory underestimates the NeMoR broadening, whereas modified Redfield theory overestimates it by a similar amount. A fortuitous error compensation in Redfield theory is found to explain the good performance of this theory at low temperatures. Since steady state spectra of PPCs are often measured at low temperatures

[Evolution of residual risk for HIV, HCV and HBV, from 1999 to 2010, in blood donations of the Centro Hospitalar S. João, EPE, Porto, Portugal].

Science.gov (United States)

Koch, Carmo; Araújo, Fernando

2013-01-01

Monitoring the residual risk of transfusion-transmitted viral infections is important to evaluate the improvement achieved in the blood donation safety and to adopt policies to reduce risks. The present study calculates the incidence of the key infectious diseases, human immunodeficiency virus (HIV), hepatitis B virus (HBV) and hepatitis C virus (HCV) as well as the residual risk of transfusion-transmitted viral infections, during twelve years, 1999 through 2010. Data were analyzed over 3 periods of 4 years (1999-2002, 2003-2006 and 2007-2010). The risk estimates were compared to those previously obtained for blood donations occurred between 1991 and 1998. The study included 209 640 blood donations, from 42 634 regular, volunteers and unpaid donors. The residual risk of transfusion-transmitted infection per million donations was calculated, for each virus, through mathematical model "Incidence rate/window period", described by Schreiber et al. All donations were screened according to Portuguese legislation. In January 2001, the nucleic acid testing in minipool was implemented on all blood donations, for screening simultaneously HIV-1 and HCV ribonucleic acid (RNA) (Cobas Amplicor Ampliscreen-Roche©). This test was replaced, in January 2007, by the simultaneous screening of HBV deoxyribonucleic acid, HCV RNA and HIV-1/HIV-2 RNA, in minipool (Cobas Taqscreen MPX Test-Roche©). The residual risk of transmitting viral infections during the transfusion of blood components is very small and has declined over the years. After the implementation of the nucleic acid testing in minipool for the three viruses, the risk of giving blood during an infectious window period was estimated as follows: for human immunodeficiency virus, 1 in 1.67 million, for hepatitis C virus 1 in 3.33 million and for hepatitis B virus 1 in 526 000. During the 12 years under study, we found a decrease in residual risk for the three viruses, by a factor around five for human immunodeficiency virus

Tank 241-TX-104, cores 230 and 231 analytical results for the final report

International Nuclear Information System (INIS)

Diaz, L.A.

1998-01-01

This document is the analytical laboratory report for tank 241-TX-104 push mode core segments collected between February 18, 1998 and February 23, 1998. The segments were subsampled and analyzed in accordance with the Tank 241-TX-104 Push Mode Core Sampling and Analysis Plan (TSAP) (McCain, 1997), the Data Quality Objective to Support Resolution of the Organic Complexant Safety Issue (Organic DQO) (Turner, et al., 1995) and the Safety Screening Data Quality Objective (DQO) (Dukelow, et.al., 1995). The analytical results are included in the data summary table. None of the samples submitted for Differential Scanning Calorimetry (DSC) and Total Alpha Activity (AT) exceeded notification limits as stated in the TSAP. The statistical results of the 95% confidence interval on the mean calculations are provided by the Tank Waste Remediation Systems Technical Basis Group in accordance with the Memorandum of Understanding (Schreiber, 1997) and are not considered in this report. Appearance and Sample Handling Attachment 1 is a cross reference to relate the tank farm identification numbers to the 222-S Laboratory LabCore/LIMS sample numbers. The subsamples generated in the laboratory for analyses are identified in these diagrams with their sources shown. Core 230: Three push mode core segments were removed from tank 241-TX-104 riser 9A on February 18, 1998. Segments were received by the 222-S Laboratory on February 19, 1998. Two segments were expected for this core. However, due to poor sample recovery, an additional segment was taken and identified as 2A. Core 231: Four push mode core segments were removed from tank 241-TX-104 riser 13A between February 19, 1998 and February 23, 1998. Segments were received by the 222-S Laboratory on February 24, 1998. Two segments were expected for this core. However, due to poor sample recovery, additional segments were taken and identified as 2A and 2B. The TSAP states the core samples should be transported to the laboratory within three

Heat Transfer by Thermo-capillary Convection -Sounding Rocket COMPERE Experiment SOURCE

Science.gov (United States)

Dreyer, Michael; Fuhrmann, Eckart

for benchmarking of commercial CFD codes and the tank design (using these codes) of future cryogenic upper stages. References Eckart Fuhrmann, Michael E. Dreyer, Description of the Sounding Rocket Experiment SOURCE, Microgravity sci. technol., 20/3-4, 206 (2008)

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

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

Science.gov (United States)

Wong, Kin-Yiu; Gao, Jiali

2008-09-09

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

MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation.

Science.gov (United States)

Omelyan, Igor; Kovalenko, Andriy

2015-04-14

We developed a generalized solvation force extrapolation (GSFE) approach to speed up multiple time step molecular dynamics (MTS-MD) of biomolecules steered with mean solvation forces obtained from the 3D-RISM-KH molecular theory of solvation (three-dimensional reference interaction site model with the Kovalenko-Hirata closure). GSFE is based on a set of techniques including the non-Eckart-like transformation of coordinate space separately for each solute atom, extension of the force-coordinate pair basis set followed by selection of the best subset, balancing the normal equations by modified least-squares minimization of deviations, and incremental increase of outer time step in motion integration. Mean solvation forces acting on the biomolecule atoms in conformations at successive inner time steps are extrapolated using a relatively small number of best (closest) solute atomic coordinates and corresponding mean solvation forces obtained at previous outer time steps by converging the 3D-RISM-KH integral equations. The MTS-MD evolution steered with GSFE of 3D-RISM-KH mean solvation forces is efficiently stabilized with our optimized isokinetic Nosé-Hoover chain (OIN) thermostat. We validated the hybrid MTS-MD/OIN/GSFE/3D-RISM-KH integrator on solvated organic and biomolecules of different stiffness and complexity: asphaltene dimer in toluene solvent, hydrated alanine dipeptide, miniprotein 1L2Y, and protein G. The GSFE accuracy and the OIN efficiency allowed us to enlarge outer time steps up to huge values of 1-4 ps while accurately reproducing conformational properties. Quasidynamics steered with 3D-RISM-KH mean solvation forces achieves time scale compression of conformational changes coupled with solvent exchange, resulting in further significant acceleration of protein conformational sampling with respect to real time dynamics. Overall, this provided a 50- to 1000-fold effective speedup of conformational sampling for these systems, compared to conventional MD

Book Reviews

Directory of Open Access Journals (Sweden)

Redactie KITLV

2001-10-01

Full Text Available -Doris Jedamski, René Witte, De Indische radio-omroep; Overheidsbeleid en ontwikkeling, 1923-1942. Hilversum: Verloren, 1998, 202 pp. -Edwin Jurriëns, Philip Kitley, Television, nation, and culture in Indonesia. Athens, Ohio: Ohio University Center for International Studies, 2000, xviii + 411 pp. [Research in International Studies, Southeast Asia Series 104.] -Gerrit Knaap, Scott Merrillees, Batavia in nineteenth century photographs. Richmond, Surrey: Curzon, 2000, 282 pp. -C.C. MacKnight, David Bulbeck ,Land of iron; The historical archaelogy of Luwu and the Cenrana valley; Results of the Origin of Complex Society in South Sulawesi Project (OXIS. Hull and Canberra: Centre for South-East Asian Studies, University of Hull / School of Archaeology and Anthropology, Australian National University, 2000, vi + 141 pp., Ian Caldwell (eds -Niels Mulder, Toh Goda, Political culture and ethnicity; An anthropological study in Southeast Asia. Quezon City: New Day, 1999, xviii + 182 pp. -Niels Mulder, Norman G. Owen, The Bikol blend; Bikolanos and their history. Quezon City: New Day, 1999, x + 291 pp. -Anton Ploeg, Donald Tuzin, Social complexity in the making; A case study among the Arapesh of New Guinea. London: Routledge, 2001, xii + 159 pp. -Henk Schulte-Nordholt, Maarten Kuitenbrouwer, Tussen oriëntalisme en wetenschap; Het Koninklijk Instituut voor Taal-, Land- en Volkenkunde in historisch verband 1851-2001. Leiden: KITLV Uitgeverij, 2001, ix + 362 pp. -Sri Margana, Peter Carey ,The archive of Yogyakarta, Volume II, Documents relating to economic and agrarian affairs. New York: Oxford University Press, 2000, 566 pp., Mason C. Hoadley (eds -Eric Venbrux, Wilfried van Damme, Bijdragen over kunst en cultuur in Oceanië/Studies in Oceanic Art and Culture. Gent: Academia Press, 2000, 122 pp. -Edwin Wieringa, Raharjo Suwandi, A quest for justice; The millenary aspirations of a contemporary Javanese wali. Leiden: KITLV Press, 2000, x + 229 pp

Effectiveness of Telemonitoring in Obstetrics: Scoping Review.

Science.gov (United States)

Lanssens, Dorien; Vandenberk, Thijs; Thijs, Inge M; Grieten, Lars; Gyselaers, Wilfried

2017-09-27

uterine activity by telecommunication. They had significant prolonged pregnancy survivals, and the newborns were less likely to be of low birth weight or to be admitted to the NICU. Following these results, telemonitoring can only be recommended by pregnant women at risk for preterm delivery. It is however important to consider that these studies were published in the mid-90s, which limits their direct applicability given the current technologies and practice. This review shows that telemonitoring can be tentatively recommended for pregnant women at risk for preterm delivery. More recent RCTs with a blinded protocol are needed to strengthen the level of evidence around this topic and to have an insight in the added value of the technologies that are available nowadays. In addition, studies investigating patient satisfaction and economic effects in relation to telemonitoring are suggested for future research. ©Dorien Lanssens, Thijs Vandenberk, Inge M Thijs, Lars Grieten, Wilfried Gyselaers. Originally published in the Journal of Medical Internet Research (http://www.jmir.org), 27.09.2017.

Prenatal Remote Monitoring of Women With Gestational Hypertensive Diseases: Cost Analysis.

Science.gov (United States)

Lanssens, Dorien; Vandenberk, Thijs; Smeets, Christophe Jp; De Cannière, Hélène; Vonck, Sharona; Claessens, Jade; Heyrman, Yenthel; Vandijck, Dominique; Storms, Valerie; Thijs, Inge M; Grieten, Lars; Gyselaers, Wilfried

2018-03-26

.89%) per person, with savings mainly for RIZIV of €848.97 per person (23.18%; mean €2797.42 [SD €2905.18] vs mean €3646.39 [SD €4878.47], P=.19). When an additional fee of €525.07 per month per pregnant woman for funding remote monitoring costs is demanded, remote monitoring is acceptable in their costs for HCS, RIZIV, and individual patients. In the current organization of Belgian health care, a remote monitoring prenatal follow-up of women with GHD is cost saving for the global health care system, mainly via savings for the insurance institution RIZIV. ©Dorien Lanssens, Thijs Vandenberk, Christophe JP Smeets, Hélène De Cannière, Sharona Vonck, Jade Claessens, Yenthel Heyrman, Dominique Vandijck, Valerie Storms, Inge M Thijs, Lars Grieten, Wilfried Gyselaers. Originally published in the Journal of Medical Internet Research (http://www.jmir.org), 26.03.2018.

Sulphur bacteria mediated formation of Palaeoproterozoic phosphorites

Science.gov (United States)

Joosu, Lauri; Lepland, Aivo; Kirsimäe, Kalle

2014-05-01

. Moreover, P-rich intervals in the Zaonega Formation are found in organic-rich sediments exhibiting strongly negative δ13Corg values (-37 to -34 per mil) which is interpreted to reflect the methanotrophic biomass. We conclude that modern-style phosphogenesis, mediated by sulphide-oxidising bacteria living in consortium with methanotrophs, was established at least 2 Ga ago. [1] Schulz and Schulz (2005) Science 307, 416-418 [2] Lepland, Joosu, Kirsimäe, Prave, Romashkin, Črne, Martin, Fallick, Somelar, Üpraus, Mänd, Roberts, van Zuilen, Wirth, Schreiber (2014) Nature geoscience 7, 20-24 [3] Bailey, Joye, Kalanetra, Flood, and Corsetti (2007) Nature 445, 198-201 [4] Schulz, Brinkhoff, Ferdelman, Marine, Teske and Jorgensen (1999) Science 284, 493-495 [5] Knittel, Losekann, Boetius, Kort and Amann (2005) Applied and Environmental Microbiology 71, 467-479.

A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Roemelt, Michael; Maganas, Dimitrios; Neese, Frank [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); DeBeer, Serena [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853 (United States)

2013-05-28

A novel restricted-open-shell configuration interaction with singles (ROCIS) approach for the calculation of transition metal L-edge X-ray absorption spectra is introduced. In this method, one first calculates the ground state and a number of excited states of the non-relativistic Hamiltonian. By construction, the total spin is a good quantum number in each of these states. For a ground state with total spin S excited states with spin S Prime = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with M{sub S}= S, Horizontal-Ellipsis , -S for each multiplet of spin S are obtained. The spin-orbit operator is represented by a mean-field approximation to the full Breit-Pauli spin-orbit operator and is diagonalized over this N-particle basis. This is equivalent to a quasi-degenerate treatment of the spin-orbit interaction to all orders. Importantly, the excitation space spans all of the molecular multiplets that arise from the atomic Russell-Saunders terms. Hence, the method represents a rigorous first-principles approach to the complicated low-symmetry molecular multiplet problem met in L-edge X-ray absorption spectroscopy. In order to gain computational efficiency, as well as additional accuracy, the excitation space is restricted to single excitations and the configuration interaction matrix is slightly parameterized in order to account for dynamic correlation effects in an average way. To this end, it is advantageous to employ Kohn-Sham rather than Hartree-Fock orbitals thus defining the density functional theory/ROCIS method. However, the method can also be used in an entirely non-empirical fashion. Only three global empirical parameters are introduced and have been determined here for future application of the method to any system containing any transition metal. The three parameters were carefully calibrated using the L-edge X-ray absorption spectroscopy spectra of a test set of coordination complexes containing first row

Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: Accelerating with advanced extrapolation of effective solvation forces

International Nuclear Information System (INIS)

Omelyan, Igor; Kovalenko, Andriy

2013-01-01

We develop efficient handling of solvation forces in the multiscale method of multiple time step molecular dynamics (MTS-MD) of a biomolecule steered by the solvation free energy (effective solvation forces) obtained from the 3D-RISM-KH molecular theory of solvation (three-dimensional reference interaction site model complemented with the Kovalenko-Hirata closure approximation). To reduce the computational expenses, we calculate the effective solvation forces acting on the biomolecule by using advanced solvation force extrapolation (ASFE) at inner time steps while converging the 3D-RISM-KH integral equations only at large outer time steps. The idea of ASFE consists in developing a discrete non-Eckart rotational transformation of atomic coordinates that minimizes the distances between the atomic positions of the biomolecule at different time moments. The effective solvation forces for the biomolecule in a current conformation at an inner time step are then extrapolated in the transformed subspace of those at outer time steps by using a modified least square fit approach applied to a relatively small number of the best force-coordinate pairs. The latter are selected from an extended set collecting the effective solvation forces obtained from 3D-RISM-KH at outer time steps over a broad time interval. The MTS-MD integration with effective solvation forces obtained by converging 3D-RISM-KH at outer time steps and applying ASFE at inner time steps is stabilized by employing the optimized isokinetic Nosé-Hoover chain (OIN) ensemble. Compared to the previous extrapolation schemes used in combination with the Langevin thermostat, the ASFE approach substantially improves the accuracy of evaluation of effective solvation forces and in combination with the OIN thermostat enables a dramatic increase of outer time steps. We demonstrate on a fully flexible model of alanine dipeptide in aqueous solution that the MTS-MD/OIN/ASFE/3D-RISM-KH multiscale method of molecular dynamics

Clinical biochemistry and laboratory medicine in the post-genome era

International Nuclear Information System (INIS)

Efremov, Georgi D.

2001-01-01

, modification, and regulation of every encoded protein. Much information about protein function can be derived from the analysis of biochemical activities (Martzen, M. R. et al., 1999). In principle, the biochemical activities of proteins can be probed by producing proteins in a high-throughput fashion and analysing the functions of hundreds or thousands of protein samples in parallel using protein micro arrays (MacBeath,G. and Schreiber, S. L., 2000). Major problems in screening an entire proteome array have been the ability to generate the necessary expression clones and also the expression and purification of proteins in a high-throughput fashion. This endeavour has been advanced by creating micro arrays on glass slides that display purified proteins. In the last part of this article I have presented our interest in the study of the molecular basis of the most common monogenic diseases. (Author)

Tank characterization report for single-shell tank 241-T-102

International Nuclear Information System (INIS)

Baldwin, J.H.

1997-01-01

and 56, only core 55 had sufficient recovery for analysis. Therefore, only the results from the analysis of core 55 can be used to partially satisfy the requirements of the safety DQO. The sampling and analysis of the 1994 grab samples were performed in accordance with Schreiber (1994) and the results were originally reported in WHC (1994). Appendix C provides information on the statistical analysis and numerical manipulation of data used in issue resolution. Appendix D contains the evaluation to establish the best basis for the inventory estimate and the statistical analysis performed for this evaluation. Appendix E is the bibliography that resulted from an in-depth literature search of all known information sources applicable to tank 241-T-102 and its respective waste type. The reports listed in Appendix E may be found in the Tank Characterization and Safety Resource Center

Tank characterization report for single-shell tank 241-T-102

Energy Technology Data Exchange (ETDEWEB)

Baldwin, J.H.

1997-06-24

and 56, only core 55 had sufficient recovery for analysis. Therefore, only the results from the analysis of core 55 can be used to partially satisfy the requirements of the safety DQO. The sampling and analysis of the 1994 grab samples were performed in accordance with Schreiber (1994) and the results were originally reported in WHC (1994). Appendix C provides information on the statistical analysis and numerical manipulation of data used in issue resolution. Appendix D contains the evaluation to establish the best basis for the inventory estimate and the statistical analysis performed for this evaluation. Appendix E is the bibliography that resulted from an in-depth literature search of all known information sources applicable to tank 241-T-102 and its respective waste type. The reports listed in Appendix E may be found in the Tank Characterization and Safety Resource Center.

Rotational Seismology Workshop of February 2006

Science.gov (United States)

Evans, John R.; Cochard, A.; Graizer, Vladimir; Huang, Bor-Shouh; Hudnut, Kenneth W.; Hutt, Charles R.; Igel, H.; Lee, William H.K.; Liu, Chun-Chi; Majewski, Eugeniusz; Nigbor, Robert; Safak, Erdal; Savage, William U.; Schreiber, U.; Teisseyre, Roman; Trifunac, Mihailo; Wassermann, J.; Wu, Chien-Fu

2007-01-01

seismology (Cochard, Igel, Schreiber, Teisseyre, Wassermann, Majewski), sensor-calibration issues (Evans, Hutt), and finally the summary and conclusions (Savage). As a direct result of the 2006 Workshop and the formation of IWGoRS, we held a special session at the Fall 2006 AGU meeting (convened by H. Igel, W.H.K. Lee, and M.I. Todorovska). Currently, the first formal Workshop of the IWGoRS is being organized by W.H.K. Lee, M. Celebi, and M. I. Todorovska with sponsorship by the USGS and assistance from many others; this First International Workshop on Rotational Seismology and Engineering Applications will be held in September 2007 at Menlo Park, California (http://pubs.usgs.gov/of/2007/1144/). The following summarizes presentations and discussions during and shortly after the informal Workshop of February 2006.

Assessing Biogenecity of Stromatolites: Return to the Facies

Science.gov (United States)

Shapiro, R. S.; Jameson, S.; Rutter, A.; McCarthy, K.; Planavsky, N. J.; Severson, M.

2013-12-01

The discovery of richly microfossiliferous cherty stromatolites near Schreiber and Kakabeka Falls, Ontario, in the 1.9 Ga Gunflint Iron Formation, firmly established the field of pre-Cambrian paleontology. In the half-century since this discovery, paradigm shifts in the ecology of the microfossils as well as the utility of stromatolites as biological markers has caused a re-evaluation of our understanding of the pre-Cambrian fossil record. This research summarizes facies evaluation of the two stromatolite marker beds in the Gunflint-correlative Biwabik Iron Formation of Minnesota. The centimeter-scale microstratigraphy of cores drilled through the central and eastern Mesabi Iron Range was coupled with field descriptions of outcrops and mines in both the Biwabik and Gunflint iron formations. Eight lithologic facies associated with the stromatolites are identified: A) Pebble conglomerate clasts ranging in size of 0.5-3 cm, syneresis cracks, and septarian nodules with medium to coarse grain matrix; B) siltstone with subparallel sub-mm to 5 cm magnetitic and non-magnetic bands; C) stromatolitic boundstone comprising stratiform, pseudocolumnar, domal, undulatory, flat-laminated, dendritic, columnar, and mico-digitate forms and oncoids 0.5 to 2 cm diameter; D) grainstone with medium to coarse siliceous and carbonate ooids and peloids; E) massive green crystalline beds with bands of magnetite, quartz, calcite, disseminated pyrite and localized ankerite; F) autobreccicated fabric of 0.3 to 10 mm clasts; G) medium to coarse sandstone; H) quartzite. Correlation between 11 cores near Hoyt Lakes and 9 cores through the basal stromatolite layer at the MinnTac Mine near Virginia revealed that stromatolites formed both on conglomerate and medium quartz sandstone. Multiple forms of stromatolite may occur in a vertical succession (flat-laminated to undulatory to psuedocolumnar to columnar) or a core may be dominated by one type, typically columnar-stratiform. Where stromatolites do

PREFACE: Astronomy at High Angular Resolution 2011: The central kiloparsec in galactic nuclei

Science.gov (United States)

Iserlohe, Christof; Karas, Vladimir; Krips, Melanie; Eckart, Andreas; Britzen, Silke; Fischer, Sebastian

2012-07-01

University of Thessaloniki in Greece for giving the dinner talk on the most astounding ancient Antikythera mechanism. We would also like to thank Victor Gomer and the staff of the Physikzentrum of the Deutsche Physikalische Gesellschaft in Bad Honnef where the conference took place. Last but not least we would like to thank all unnamed helpers, without whom the organisation of this conference would not have been possible. Financial support for this conference was granted by the Deutsche Forschungsgemeinschaft (DFG) Sonderforschungsbereich project number SFB 956. We also acknowledge support from the European Community Framework Programme 7, Advanced Radio Astronomy in Europe, grant agreement no. 227290. Christof Iserlohe, Vladimir Karas, Melanie Krips, Andreas Eckart, Silke Britzen and Sebastian Fischer The Editors Conference photograph Conference Group Photo, 1 September 2011 The PDF also contains additional photographs from the conference and the Contents of the Proceedings.

The Black Hole at the Center of the Milky Way

Energy Technology Data Exchange (ETDEWEB)

Broderick, A [Harvard-Smithsonian Institute (United States)

2006-10-21

collected in the appendices, make this a valuable reference. As explicitly stated in the foreword, the text can not be complete, owing to the rapidity with which the field is advancing. To address this the authors maintain a website associated with the book containing links to recent publications. The success of the webpage will depend upon the familiarity of the reader with the field, as the material has not been presented in a digested, pedagogical form. The incompleteness is my only substantive criticism of the book, given the exciting recent developments (improved constraints upon the physical size of Sagittarius A*, new polarization measurements of flares, etc) a revised edition may be in order. (Book review of The Black Hole at the Center of the Milky Way by Andreas Eckart, Rainer Schodel and Christian Straubmeier, 2005 Singapore: World Scientific, 308pp, ISBN-10: 186-094-567-8)

Doctrine of "Fair Price” by Thomas Aquinas: background, laws of development and specific interpretation

Directory of Open Access Journals (Sweden)

Nureev Rustem, M.

2015-03-01

analyzed the "contribution" of Thomas Aquinas in the development of the labor theory of value. Such an ambiguous approach to a "fair" price led to what some researchers considered the forerunner of Thomas Aquinas, the cost of labor history: I. M. Kulisher (1906, R. H. Tawney (1926, J.-B. Kraus (1930, S. Hagenauer (1931, A. Fanfani (1935, O.V. Trachtenberg (1957, Y. Mike. (1994 - and others have tried to try on his views with utility theory (since it appeared demand Aquinas had to implement trade trying to try two beginnings consumer and labor: H. Contzen (1869, E. Schreiber (1913, O. Scbilling (1923, R. De Roover (1958, R. M. Nureev (2005. Therefore, in the second half of the XX century, many researchers refuse to consider a "fair price" as the basis of cost, and steel is identified with its current market price: A. Sapori (1955, J. T. Noonan (1957, L. W. Baldwin (1959, Dr. T. Stetsyura (2010. The paper analyzes the arguments "pro" and "contra" in favor of each of these approaches.

Bioorthogonal chemistry: applications in activity-based protein profiling.

Science.gov (United States)

Willems, Lianne I; van der Linden, Wouter A; Li, Nan; Li, Kah-Yee; Liu, Nora; Hoogendoorn, Sascha; van der Marel, Gijs A; Florea, Bogdan I; Overkleeft, Herman S

2011-09-20

The close interaction between organic chemistry and biology goes back to the late 18th century, when the modern natural sciences began to take shape. After synthetic organic chemistry arose as a discipline, organic chemists almost immediately began to pursue the synthesis of naturally occurring compounds, thereby contributing to the understanding of their functions in biological processes. Research in those days was often remarkably interdisciplinary; in fact, it constituted chemical biology research before the phrase even existed. For example, histological dyes, both of an organic and inorganic nature, were developed and applied by independent researchers (Gram and Golgi) with the aim of visualizing cellular substructures (the bacterial cell wall and the Golgi apparatus). Over the years, as knowledge within the various fields of the natural sciences deepened, research disciplines drifted apart, becoming rather monodisciplinary. In these years, broadly ranging from the end of World War II to about the 1980s, organic chemistry continued to impact life sciences research, but contributions were of a more indirect nature. As an example, the development of the polymerase chain reaction, from which molecular biology and genetics research have greatly profited, was partly predicated on the availability of synthetic oligonucleotides. These molecules first became available in the late 1960s, the result of organic chemists pursuing the synthesis of DNA oligomers primarily because of the synthetic challenges involved. Today, academic natural sciences research is again becoming more interdisciplinary, and sometimes even multidisciplinary. What was termed "chemical biology" by Stuart Schreiber at the end of the last century can be roughly described as the use of intellectually chemical approaches to shed light on processes that are fundamentally rooted in biology. Chemical tools and techniques that are developed for biological studies in the exciting and rapidly evolving field

Editorial: Focus on Laser- and Beam-Driven Plasma Accelerators

Science.gov (United States)

Joshi, Chan; Malka, Victor

2010-04-01

, S Mangles, L O Silva, R Fonseca and P A Norreys Electro-optic shocks from blowout laser wakefields D F Gordon, A Ting, M H Helle, D Kaganovich and B Hafizi Onset of self-steepening of intense laser pulses in plasmas J Vieira, F Fiúza, L O Silva, M Tzoufras and W B Mori Analysis of laser wakefield dynamics in capillary tubes N E Andreev, K Cassou, F Wojda, G Genoud, M Burza, O Lundh, A Persson, B Cros, V E Fortov and C-G Wahlstrom Characterization of the beam loading effects in a laser plasma accelerator C Rechatin, J Faure, X Davoine, O Lundh, J Lim, A Ben-Ismaïl, F Burgy, A Tafzi, A Lifschitz, E Lefebvre and V Malka Energy gain scaling with plasma length and density in the plasma wakefield accelerator P Muggli, I Blumenfeld, C E Clayton, F J Decker, M J Hogan, C Huang, R Ischebeck, R H Iverson, C Joshi, T Katsouleas, N Kirby, W Lu, K A Marsh, W B Mori, E Oz, R H Siemann, D R Walz and M Zhou Generation of tens of GeV quasi-monoenergetic proton beams from a moving double layer formed by ultraintense lasers at intensity 1021-1023Wcm-2 Lu-Le Yu, Han Xu, Wei-Min Wang, Zheng-Ming Sheng, Bai-Fei Shen, Wei Yu and Jie Zhang Carbon ion acceleration from thin foil targets irradiated by ultrahigh-contrast, ultraintense laser pulses D C Carroll, O Tresca, R Prasad, L Romagnani, P S Foster, P Gallegos, S Ter-Avetisyan, J S Green, M J V Streeter, N Dover, C A J Palmer, C M Brenner, F H Cameron, K E Quinn, J Schreiber, A P L Robinson, T Baeva, M N Quinn, X H Yuan, Z Najmudin, M Zepf, D Neely, M Borghesi and P McKenna Numerical modelling of a 10-cm-long multi-GeV laser wakefield accelerator driven by a self-guided petawatt pulse S Y Kalmykov, S A Yi, A Beck, A F Lifschitz, X Davoine, E Lefebvre, A Pukhov, V Khudik, G Shvets, S A Reed, P Dong, X Wang, D Du, S Bedacht, R Zgadzaj, W Henderson, A Bernstein, G Dyer, M Martinez, E Gaul, T Ditmire and M C Downer Effects of laser prepulses on laser-induced proton generation D Batani, R Jafer, M Veltcheva, R Dezulian, O Lundh, F Lindau, A

Why does the Size of the Laacher See Magma Chamber and its Caldera Size not go together? - New Findings with regard to Active Tectonics in the East Eifel Volcanic Field

Science.gov (United States)

Schreiber, Ulrich; Berberich, Gabriele

2013-04-01

decade, a second new seismically active zone developed in the Bad Ems/Nassau region with local magnitudes up to 4.4 (BNS 2012). Our data generated from a combination of mapped active strike-slip faults and gas analyses along these gaspermeable faults provide, besides a seismic monitoring, integrated knowledge on the future evolution of the East Eifel volcanic field. The gas analyses (carbon dioxide, helium, radon, hydrogen sulphide and methane) of mofettes and mineral springs were performed in several campaigns during the period 2008 to 2012 in the East Eifel volcanic field (Berberich 2010, Schreiber & Berberich 2012). Based on the results specific distribution patterns can be identified, which allow conclusions to be drawn to tectonic and magmatic activities. Our results show a split of the East Eifel volcanic field into two parts. Helium (He) anomalies with concentrations exceeding up to seven-fold the atmospheric standard of 5,220 ppb (Holland & Emmerson 1987) are evident in the northern and in the northwestern part of Laacher See, whereas Helium anomalies with concentrations up to 70-fold of the atmospheric standard are evident southeast of Laacher See, indicating a large-scale anisotropy in the tectonic depression of Neuwied Basin. East of Laacher See, Radon anomalies up to 130 Bq/l are found. H2S anomalies are evident northeast of Laacher See. The highest gas anomalies are evident in the mofette field (500 m length) in the Lahn River in Bad Ems: Helium anomalies with concentrations exceeding up to 150-fold the atmospheric standard, Radon anomalies up to 500 Bq/l and H2S anomalies up to 18 ppm were found. References: Acocella V (2007): Understanding caldera structure and development: An overview of analogue models compared to natural calderas, Earth-Science Reviews, 85 (3-4): 125-160. Berberich G (2010): Identifikation junger gasführender Störungszonen in der West- und Hocheifel mit Hilfe von Bioindikatoren. Dissertation. Essen, 293 S. BNS (2012): Earthquake data

Use of regenerative energy sources and hydrogen technology. Proceedings; Nutzung regenerativer Energiequellen und Wasserstofftechnik 2008. Tagungsband

Energy Technology Data Exchange (ETDEWEB)

Luschtinetz, Thomas; Lehmann, Jochen (eds.)

2008-07-01

biomass and low temperature waste heat (W. Nowak, A. Borsukiewicz-Gozdur, A.A. Stachel); (17) Opportunities for small and medium sized enterprises and the regions by linking renewable energy sources with nationally made fuel cells (E. Oettel); (18) Accumulators - State of the arts and perspectives (D. Ohms, G. Schaedlich); (19) Comparisons of different power fruit rotations in Mecklenburg-Vorpommern under economic and ecological aspects (J. Peters); (20) Algae in biogas purification (M. Schlegel, G. Mann, R. Schumann, N. Kanswohl, D. Wiedow); (21) Development of a software for a process engineering design of bio network sites (M. Schreiber, H.J. Krautz, R. Mueller); (22) HyWindBalance - Results from the wind-hydrogen project Oldenburg (K. Stolzenburg, J. Linnemann, R. Steinberger-Wilckens, L.V. Tudela, H.-P. Waldl, M. Lange, H. Kroeger, S. Styrnol, U. Ziebell, D. Heinemann, H.-G. Holtorf); (23) Prospects of combined concentrating solar power plant technologies and solar cooling applications in Thailand (S. Sukchai, A. Pongtornkulpanich); (24) The way to increase the efficiency of new power sources (L. Vasiliev); (25) Hydrogen - production via electrolysis (M. Wenske); (26) Use of geothermic resources to meet the requirement of heat and coldness of modern buildings - Initial experiences about the operation of the university library at the university Rostock (P. Wickboldt); (27) Shell cross anemometer - diagonal incident flow? (H.-J. Winkel, M. Paschen, M. Jensch); (28) Energy biomass from rewetted peatlands for combined heat and power generation (A. Wulf, W. Wichtmann, M. Barz, M. Ahlhaus); (29) Electric and magnetic fields near wind power farms (M. Zenczak); (30) Ecologic aspects of the selection of solutions of energetic systems of fishing cutters (W. Zenczak); (31) An innovative company in the area of product development and technology development (MET Motoren- und Energietechnik GmbH Rostock); (32) GA cooperation network energy economy / power technology of the state

7. Rostock bioenergy forum. Proceedings; 7. Rostocker Bioenergieforum. Tagungsband

Energy Technology Data Exchange (ETDEWEB)

Nelles, Michael (ed.)

2013-10-01

the generation of biofuels (K. Schiemenz); (20) BioBoost - Biomass based energy intermediates boosting bio-fuel production (A. Niebel); (21) Hydrothermal conversion of biomass to liquid energy sources (M. Kroeger); (22) Production of diesel fuels from vegetable oils by means of homogenous catalysed metathesis of methyl oleate (F. Erben); (23) Investigation on application properties of liquid fuels with biogenic compounds (M. Neulen); (24) ENIAK - Development of a non-motor injector coking test facility for alternative fuels (H. Hoffmann); (25) Quality control of mixtures consisting of engine oil and rapeseed oil by means of online oil sensors (K. Thuneke); (26) Plasma regeneration of mineral adsorbents for the precipitation of formaldehyde from exhaust gases of biogas engines (S. Mueller); (27) Economical efficiency of bio energy as the level of prices in the agricultural sector rises (H. Heilmann); (28) Sorghum as an alternative of cultivation to maize (K. Jaekel); (29) New findings on the biogas production from sugar beets (H. Bormann); (30) Losses of the potential in methane formation during the storage of sugar beet pulp in open ground basins (F. Weissbach); (31) Overlapping effects during the fermentation of substrate mixtures (N. Engler); (32) Rising the exploitation of substrates by thermal digestate processing (I. Seick); (33) Application of a qualitative image analysis on the evaluation of microbial process parameters of biogas plants (Y.S. Kim); (34) Practical application of the microbial activity analysis on the monitoring of the process biological stability of biogas plants (L. Neumann); (35) Requirement-specific use of trace element biogas additives under consideration of the bioavailability (A. Feher); (36) Application of the membrane technology on the exhaustive fermentation of renewable raw materials in biogas plants (A. Schreiber); (37) The opportunity of rising efficiency at biogas plants without BHKW (K. Wemken); (38) Quantification of diffuse

First Results of 3 Year Monitoring of Red Wood Ants' Behavioural Changes and Their Possible Correlation with Earthquake Events

Science.gov (United States)

Berberich, Gabriele; Berberich, Martin; Grumpe, Arne; Wöhler, Christian; Schreiber, Ulrich

2013-04-01

(including climate data, earth tides, lunar phases and biological parameters) are recorded and correlated with the analysed daily activity. Additionally, nest air measurements (CO2, Helium, Radon, H2S and CH4) are performed at intervals. At present, an automated image analysis routine is being applied to the acquired more than 45,000 hours of video stream data. It is a valuable tool to objectively identify and classify the ants' activity on top of mounds and to examine possible correlations with earthquakes. Based on this automated approach, a statistical analysis of the ants' behaviour is intended. The investigation and results presented here are a first access to a completely new research complex. The key question is whether the ants' behavioural changes and their correlation with earthquake events are statistically significant and if a detection by an automated system is possible. Long-term studies have to show whether confounding factors and climatic influences can clearly be distinguished. Although the first results suggest that it is promising to consolidate and extend the research to determine a pattern for exceptional situations, there is, however, still a long way to go for a usable automated earthquake warning system. References Berberich G (2010): Identifikation junger gasführender Störungszonen in der West- und Hocheifel mit Hilfe von Bioindikatoren. Dissertation. Essen, 293 S. Berberich G, Klimetzek D, Wöhler C., and Grumpe A (2012): Statistical Correlation between Red Wood Ant Sites and Neotectonic Strike-Slip Faults. Geophysical Research Abstracts Vol. 14, EGU2012-3518 Berberich G, Berberich M, Grumpe A, Wöhler C., and Schreiber U (2012): First Results of 3 Year Monitoring of Red Wood Ants' Behavioural Changes and Their Possible Correlation with Earthquake Events. Animals, ISSN 2076-2615,. Special Issue "Biological Anomalies Prior to Earthquakes") (in prep.) Dologlou E. (2010): Recent aspects on possible interrelation between precursory electric signals

Book Reviews

Directory of Open Access Journals (Sweden)

Dieuwke Wendelaar Bonga

1998-10-01

Hahl, Gouverneursjahre in Neuguinea. Edited by Wilfried Wagner. Hamburg: Abera Verlag Meyer, 1997, xxxi + 230 pp. - Elly Touwen-Bouwsma, Dieuwke Wendelaar Bonga, Eight prison camps; A Dutch family in Japanese Java. Athens, Ohio: University Center for International Studies, 1996, xii + 219 pp. - Freek Colombijn, Anthony J. Whitten, The ecology of Sumatra. Yogyakarta: Gadjah Mada University Press, 1987 [First edition 1984], xxiii + 583 pp., photographs, figures, tables, index., Sengli J. Damanik, Jazanul Anwar (eds. - David Henley, Anthony J. Whitten, The ecology of Sulawesi. Yogyakarta: Gadjah Mada University Press, 1987, xxi + 777 pp., Muslimin Mustafa, Gregory S. Henderson (eds. - Peter Boomgaard, Tony Whitten, The ecology of Java and Bali. [Singapore]: Periplus Editions, 1996, xxiii + 969 pp. [The Ecology of Indonesia Series 2.], Roehayat Emon Soeriaatmadja, Surya A. Afiff (eds. - Han Knapen, Kathy MacKinnon, The ecology of Kalimantan. [Singapore]: Periplus Editions, 1996, xxiv + 802 pp., tables, figures, boxes, index. [The Ecology of Indonesia Series 3.], Gusti Hatta, Hakimah Halim (eds. - Bernice de Jong Boers, Manon Ossewiejer, Kathryn A. Monk, The ecology of Nusa Tenggara and Maluku. [Singapore]: Periplus Editions, Oxford: Oxford University Press, 1997, xvii + 966 pages, tables, figures, boxes, annexes, appendixes, index. [The Ecology of Indonesia Series 5.], Yance de Fretes, Gayatri Reksodiharjo-Lilley (eds. - Freek Colombijn, Tomas Tomascik, The ecology of the Indonesian seas [2 volumes]. Hong Kong: Periplus, 1997, xiv + vi + 1388 pp., photographs, figures, tables, indexes. [The Ecology of Indonesia Series 7-8.], Anmarie Janice Mah, Anugerah Nontji (eds.

Proceedings of the 26th International Cryogenic Engineering Conference - International Cryogenic Material Conference 2016

Science.gov (United States)

Datta, T. S.; Sharma, R. G.; Kar, S.

2017-02-01

International Conference ICEC 26 - ICMC 2016 was organized at New Delhi, India during March 7-11, 2016. Previous conference ICEC25-ICMC 2014 was held at the University of Twente, The Netherlands in July 2014. Next Conference ICEC 27- ICMC 2018 will be held at Oxford, UK during September 3-7, 2018 1. Introduction This is a biennial international conference on cryogenic engineering and cryogenics materials organized by the International Cryogenic Engineering Committee and the International Cryogenic Material Committee. For some years, the host country has been alternating between Europe and Asia. The present conference was held at the Manekshaw Convention Centre, New Delhi, India during March 7-11, 2016 and hosted jointly by the Indian Cryogenics Council (ICC) and the Inter-University Accelerator Centre (IUAC), New Delhi. Put all together as many as 547 persons participated in the conference. Out of these 218 were foreign delegates coming from 25 countries and the rest from India. 2. Inaugural Session & Course Lectures The pre conference short course lectures on “Cryocoolers” and “Superconducting Materials for Power Applications” were organized on 7th March. Cryocooler course was given jointly by Dr. Chao Wang from M/s. Cryomech, USA and Prof. Milind Atrey from IIT Bombay, India. The Course on Superconducting Materials was given by Prof. Venkat Selvamanickam from the University of Houston, USA. The conference was inaugurated in the morning of March 8th in a typical Indian tradition and in the presence of the Chief Guest, Dr. R Chidambaram (Principle Scientific Adviser to Govt. of India), Guest of Honour, Prof. H Devaraj (Vice Chairman University Grant Commission), Prof Marcel ter Brake ( Chair, ICEC Board), Prof. Wilfried Goldacker (Chair, ICMC board), Dr. D Kanjilal (Director IUAC), Dr R K Bhandari, (President, Indian Cryogenic Council ). Dr. T S Datta, Chair Local Organizing Committee coordinated the proceedings of the inaugural function. 3. Technical

Transmissions in vehicles 2010

Energy Technology Data Exchange (ETDEWEB)

NONE

2010-07-01

method (R.A. Lloyd); (18) Trends of market and technology for agricultural machinery from the view of a vehicle manufacturer (H. Reiter); (19) Shifting comfort improvement on a powershift transmission using objective driveability evaluation (G. Stein); (20) Development trends on construction machinery drive trains (H. Beck); (21) Electrification and hybridisation of powertrains for off-highway machines (M. Mohr); (22) Infinitely variable PTO transmission - Development and test results of an IV-PTO transmission (R. Gugel); (23) Transmission for tractors - requirements, technical solutions and development trends (K. Grad); (24) New hydrostatic-mechanical powersplit CVT-transmission for construction machines (W. Rebholz); (25) AMT today and for the future (M. Hochrein); (26) Efficiency-optimized manual transmission featuring high performance density and excellent shift comfort (J. Patzner); (27) reduction of the gear-rattle noise level of automotive transmissions using innovative gear lubricants (A. Baumann); (28) AWD differential (B.-R. Hoehn); (28) Road-lab-math strategy and implementation in thedevelopment of manual transmission systems (T. Hahne); (29) Fluorescence-based investigations into the contact of wet-disc clutches - Optical investigations into the flat friction contact of multi-disc clutches (N. Weber); (30) The real test drive on the powertrain testbed of maneuver based training (F. Illmeier); (31) Experience of AUTOSAR-compliant development of a power-shift-transmission-control and outlook to future standards including ISO 26262 and EAST-ADL2 - Standards supporting development efficiency (G. Stempfer); (32) The impact of peripheral component on gear development concerning investigation of comfort relevant manoeuvres (A. Albers); (33) Comfort and dynamics of manual gearshifts - definition and experience at the simulator with real-time models for synchronizer and powertrain (U. Schreiber); (34) The eClutch - A new world for manual transmissions (P. Kelly); (35

Relaxometry in soil science

Science.gov (United States)

Schaumann, G. E.; Jaeger, F.; Bayer, J. V.

2009-04-01

relaxometry of soil samples. Soil Science Society of America Journal, 72, 1694-1707. Jaeger, F., Bowe, S. & Schaumann, G.E. in preparation. Evaluation of 1H NMR relaxometry for the assessment of pore size distribution in soil samples. European Journal of Soil Science. Jähnert, S., Vaca Chavez, F., Schaumann, G.E., Schreiber, A., Schönhoff, M. & Findenegg, G.H. 2008. Melting and freezing of water in cylindrical silica nanopores. Physical Chemistry Chemical Physics, 39, 6039-6051. Schaumann, G.E., Hurraß, J., Müller, M. & Rotard, W. 2004. Swelling of organic matter in soil and peat samples: insights from proton relaxation, water absorption and PAH extraction. In Humic Substances: Nature's Most Versatile Materials eds. E.A. Ghabbour & G. Davies), pp. 101-117. Taylor and Francis, Inc., New York. Schaumann, G.E., Hobley, E., Hurraß, J. & Rotard, W. 2005. H-NMR Relaxometry to monitor wetting and swelling kinetics in high organic matter soils. Plant and Soil, 275, 1-20. Schaumann, G.E. & Bertmer, M. 2008. Do water molecules bridge soil organic matter molecule segments? European Journal of Soil Science, 59, 423-429. Todoruk, T.R., Langford, C.H. & Kantzas, A. 2003. Pore-Scale Redistribution of Water during Wetting of Air-Dried Soils As Studied by Low-Field NMR Relaxometry. Environmental Science and Technology, 37, 2707-2713. Todoruk, T.R., Litvina, M., Kantzas, A. & Langford, C.H. 2003. Low-Field NMR Relaxometry: A Study of Interactions of Water with Water-Repellant Soils. Environmental Science and Technology, 37, 2878-2882. Van As, H. & van Dusschoten, D. 1997. NMR methods for imaging of transport processes in micro-porous systems. Geoderma, 80, 389-403. Van As, H. & Lens, P. 2001. Use of 1H NMR to study transport processes in porous biosystems. Journal of Industrial Microbiology & Biotechnology, 26, 43-52.

Preface: Proceedings of the Colloidal Dispersions in External Fields II Conference (Bonn-Bad Godesberg, 31 March 2 April 2008)

Science.gov (United States)

Löwen, H.

2008-10-01

), E Noruzifar (Mainz), M Oettel (Mainz), O Otto (Leipzig), S Overduin (Düsseldorf), E C Oğuz (Düsseldorf), T Palberg (Mainz), G Pauschenwein (Vienna), G Pellicane (Messina), F Pesth (Mainz), P Pfleiderer (Mainz), D J Pine (New York), D Pini (Milan), H Reiber (Mainz), V Reshetnyak (Kiev), M Rex (Düsseldorf), M Ripoll (Jülich), M Roth (Mainz), P Royall (Bristol), M Rubin-Zuzic (Garching), T Schilling (Mainz), A Schmidt (Düsseldorf), M Schmiedeberg (Berlin), H J Schöpe (Mainz), S Schreiber (Bayreuth), B Schumann (Düsseldorf), F Sciortino (Rome), L Shapran-Reiber (Mainz), M Siebenbürger (Bayreuth), S P Singh (New Delhi), R Siquieri (Aachen), F Smallenburg (Utrecht), I Snook (Melbourne), M Sperl (Cologne), J Stellbrink (Jülich), E Stiakakis (Jülich), T Szymborski (Warsaw), H Tanaka (Tokyo), P Tierno (Barcelona), U Tkalec (Ljubljana), A Tsigkri (Jülich), T Tückmantel (Düsseldorf), C Valeriani (Edinburgh), A van Blaaderen (Utrecht), E van den Pol (Utrecht), J van Meel (Amsterdam), P van Oostrum (Utrecht), R van Roij (Utrecht), S van Teeffelen (Düsseldorf), L Verhoeff (Utrecht), E Vermolen (Utrecht), R Vink (Göttingen), P Virnau (Mainz), T Voigtmann (Cologne), D Vollmer (Mainz), G J Vroege (Utrecht), H R Vutukuri (Utrecht), C Walz (Konstanz), M Walz (Erlangen), D A Weitz (Harvard), J Wenk (Düsseldorf), R Wensink (London), F Weyßer (Konstanz), L Willner (Jülich), R G Winkler (Jülich), A Wynveen (Düsseldorf), A Wysocki (Düsseldorf), J Zausch (Mainz), J Zhao (Mainz), M Zietara (Konstanz), U Zimmermann (Düsseldorf), J Zwanikken (Utrecht).

Deepest Infrared View of the Universe

Science.gov (United States)

2002-12-01

presented in this Press Release is based on a research article ("Ultradeep Near-Infrared ISAAC Observations of the Hubble Deep Field South: Observations, Reduction, Multicolor Catalog, and Photometric Redshifts" by Ivo Labbé et al.) that will soon appear in the research journal "Astronomical Journal" (cf. astro-ph/0212236). A shorter account will appear in the December 2002 issue of ESO's house journal "The Messenger". Information, including photos and reduced data, is also available at the website of the FIRES project. Notes [1]: This press release is issued in coordination between ESO, Leiden Observatory, the Netherlands Research School for Research in Astronomy (NOVA) and the Netherlands Foundation for Research (NWO). A Dutch-language version is available here. [2]: The team consists of Ivo Labbé, Marijn Franx, Natascha M. Förster Schreiber, Paul van der Werf, Huub Röttgering, Lottie van Starkenburg, Arjen van de Wel and Konrad Kuijken (Leiden Observatory, The Netherlands), Gregory Rudnick (Max-Planck-Institut für Astrophysik, Garching, Germany), Hans-Walter Rix (Max-Planck-Institut für Astronomie, Heidelberg, Germany), Alan Moorwood and Emanuele Daddi (ESO, Garching, Germany) and Pieter G. van Dokkum (California Institute of Technology, Pasadena, USA). [3]: In astronomy, the redshift denotes the fraction by which the lines in the spectrum of an object are shifted towards longer wavelengths. The observed redshift of a remote galaxy provides an estimate of its distance.

Astrophysical phenomena related to supermassive black holes

Science.gov (United States)

Pott, Jörg-Uwe

2006-12-01

The thesis contains the results of my recent projects in astrophysical research. All projects aim at pushing the limits of our knowledge about the interaction between a galaxy, the fundamental building block of today's universe, and a supermassive black hole (SMBH) at its center. Over the past years a lot of observational evidence has been gathered for the current understanding, that at least a major part of the galaxies with a stellar bulge contain central SMBHs. The typical extragalactic approach consists of searching for the spectroscopic pattern of Keplerian rotation, produced by stars and gas, when orbiting a central dark mass (Kormendy & Richstone 1995). It suggests that a significant fraction of large galaxies host in their very nucleus a SMBH of millions to billions of solar masses (Kormendy & Gebhardt 2001). In the closest case, the center of our Milky Way, the most central stars, which can be imaged, were shown to move on orbits with circulation times of a few decades only, evidencing a mass and compactness of the dark counter part of the Keplerian motion, which can only be explained by a SMBH (Eckart & Genzel 1996; Ghez et al. 2000; Schödel et al. 2002). Having acknowledged the widespread existence of SMBHs the obvious next step is investigating the interaction with their environment. Although the basic property of a SMBH, which is concentrating a huge amount of mass in a ludicrously small volume defined by the Schwarzschild radius, only creates a deep gravitational trough, its existence evokes much more phenomena than simply attracting the surrounding matter. It can trigger or exacerbate star formation via tidal forces (Morris 1993). It shapes the distribution of its surrounding matter to accretion discs, which themselves release gravitational potential energy as radiation, possibly due to magnetic friction (Blandford 1995). The radiation efficiency of such active galactic nuclei (AGN) can become roughly 100 times more efficient than atomic nuclear

BOOK REVIEWS: Quantum Mechanics: Fundamentals

Science.gov (United States)

Whitaker, A.

2004-02-01

, propagators, Green’s functions, semiclassical quantum mechanics. The level of mathematical rigour is stated as ‘typical of the bulk of theoretical physics literature---slovenly’; those unhappy with this are directed to the well-known books of Jordan and Thirring. The next chapter---‘Basic Tools’---explains a set of topics which students will need to use when studying particular systems---angular momentum and its addition, free particles, the two-body system, and the standard approximation techniques. There follow chapters on low-dimensional systems---harmonic oscillator, Aharanov--Bohm effect, one-dimensional scattering, WKB and so on; hydrogenic atoms---the Kepler problem, fine and hyperfine structure, Zeeman and Stark effects; and on two-electron atoms---spin and statistics. As in the first edition, there is a substantial treatment of symmetries, including time reversal, Galileo transformations, the rotation group, the Wigner-Eckart theorem and the Berry phase. There are two long chapters on scattering---elastic and inelastic respectively, including an account of the S matrix. The treatment of electrodynamics is much extended and modernised compared to that in the first edition. There are discussions of the quantization of the free field, causality and uncertainty in electrodynamics, vacuum fluctuations including the Casimir effect and the Lamb shift, and radiative transitions. There is a treatment of quantum optics, but this a only a brief introduction to a rapidly expanding subject, designed to facilitate understanding of the experiments on Bell’s inequalities discussed in the later chapter on interpretation. Other topics are the photoeffect in hydrogen, scattering of photons, resonant scattering and spontaneous decay. Identical particles are discussed, with a treatment of second quantization and an introduction to Bose--Einstein condensation, and the last chapter is a brief introduction to relativistic quantum mechanics, including the Dirac equation, the

SINFONI Opens with Upbeat Chords

Science.gov (United States)

2004-08-01

the development of SINFONI for nearly 7 years. Some of the members of the Commissioning Teams are depicted in PR Photos 24g/04 and 24h/04; in addition to the SPIFFI team members present on the second photo, Walter Bornemann, Reinhard Genzel, Hans Gemperlein, Stefan Huber have also been working on the reintegration/commissioning in Paranal. Notes [1] This press release is issued in coordination between ESO, the Max-Planck-Institute for Extraterrestrial Physics (MPE) in Garching, Germany, and the Nederlandse Onderzoekschool Voor Astronomie in Leiden, The Netherlands. A German version is available at http://www.mpg.de/bilderBerichteDokumente/dokumentation/pressemitteilungen/2004/pressemitteilung20040824/index.html and a Dutch version at http://www.astronomy.nl/inhoud/pers/persberichten/30_08_04.html. [2] The SINFONI team consists of Roberto Abuter, Andrew Baker, Walter Bornemann, Ric Davies, Frank Eisenhauer (SPIFFI Principal Investigator), Hans Gemperlein, Reinhard Genzel (MPE Director), Andrea Gilbert, Armin Goldbrunner, Matthew Horrobin, Stefan Huber, Christof Iserlohe, Matthew Lehnert, Werner Lieb, Dieter Lutz, Nicole Nesvadba, Claudia Röhrle, Jürgen Schreiber, Linda Tacconi, Matthias Tecza, Niranjan Thatte, Harald Weisz (Max-Planck-Institut für Extraterrestrische Physik, Garching, Germany), Anthony Brown, Paul van der Werf (NOVA, Leiden, The Netherlands), Eddy Elswijk, Johan Pragt, Jan Kragt, Gabby Kroes, Ton Schoenmaker, Rik ter Horst (ASTRON, Dwingeloo, The Netherlands), Henri Bonnet (SINFONI Project Manager), Roberto Castillo, Ralf Conzelmann, Romuald Damster, Bernard Delabre, Christophe Dupuy, Robert Donaldson, Christophe Dumas, Enrico Fedrigo, Gert Finger, Gordon Gillet, Norbert Hubin (Head of Adaptive Optics Dept.), Andreas Kaufer, Franz Koch, Johann Kolb, Andrea Modigliani, Guy Monnet (Head of Telescope Systems Division), Chris Lidman, Jochen Liske, Jean Louis Lizon, Markus Kissler-Patig (SINFONI Instrument Scientist), Jerome Paufique, Juha Reunanen