experimental dataand theoretical: Topics by WorldWideScience.org

Sample records for experimental dataand theoretical

Diffusion in liquids a theoretical and experimental study

CERN Document Server

Tyrrell, H J V

1984-01-01

Diffusion in Liquids: A Theoretical and Experimental Study aims to discuss the principles, applications, and advances in the field of diffusion, thermal diffusion, and thermal conduction in liquid systems. The book covers topics such as the principles of non-equilibrium thermodynamics; diffusion in binary and multicompetent systems; and experimental methods of studying diffusion processes in liquids. Also covered in the book are topics such as the theoretical interpretations of diffusion coefficients; hydrodynamic and kinetic theories; and diffusion in electrolyte systems. The text is recommen
A combined experimental and theoretical study

Indian Academy of Sciences (India)

A combined theoretical and experimental study was also performed, which demonstrated that the clus- ters 1–3 with ... silica gel TLC plates (MERCK TLC Plates). The NMR .... tronic μ3-Se and maintains the same number of clus- ter valance ...
Optimality-theoretic pragmatics meets experimental pragmatics

NARCIS (Netherlands)

Blutner, R.; Benz, A.; Blutner, R.

2009-01-01

The main concern of this article is to discuss some recent findings concerning the psychological reality of optimality-theoretic pragmatics and its central part - bidirectional optimization. A present challenge is to close the gap between experimental pragmatics and neo-Gricean theories of
Surface physics theoretical models and experimental methods

CERN Document Server

Mamonova, Marina V; Prudnikova, I A

2016-01-01

The demands of production, such as thin films in microelectronics, rely on consideration of factors influencing the interaction of dissimilar materials that make contact with their surfaces. Bond formation between surface layers of dissimilar condensed solids-termed adhesion-depends on the nature of the contacting bodies. Thus, it is necessary to determine the characteristics of adhesion interaction of different materials from both applied and fundamental perspectives of surface phenomena. Given the difficulty in obtaining reliable experimental values of the adhesion strength of coatings, the theoretical approach to determining adhesion characteristics becomes more important. Surface Physics: Theoretical Models and Experimental Methods presents straightforward and efficient approaches and methods developed by the authors that enable the calculation of surface and adhesion characteristics for a wide range of materials: metals, alloys, semiconductors, and complex compounds. The authors compare results from the ...
Theoretical and experimental high energy physics

International Nuclear Information System (INIS)

Gasiorowicz, S.; Ruddick, K.

1988-01-01

This report discusses experimental and theoretical work in High Energy Physics. Some topics discussed are: quantum field theory; supersymmetry; cosmology; superstring model; relic photinos; inflationary universe; dark matter; standard model; supernovae; semileptonic decay; quantum Langevin equation; underground neutrino detection at Soudan; strange quark systems; cosmic ray detection; superconducting super collider detectors; and studies of direct photon production
Experimental and theoretical study of magnetohydrodynamic ship models.

Science.gov (United States)

Cébron, David; Viroulet, Sylvain; Vidal, Jérémie; Masson, Jean-Paul; Viroulet, Philippe

2017-01-01

Magnetohydrodynamic (MHD) ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.
Experimental and theoretical study of magnetohydrodynamic ship models.

Directory of Open Access Journals (Sweden)

David Cébron

Full Text Available Magnetohydrodynamic (MHD ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.
Experimental and theoretical investigation of benzyl-N ...

Indian Academy of Sciences (India)

Experimental and theoretical investigation of benzyl-N-pyrrolylketene, one- step procedure for preparing of new β-lactams by [2+2] cycloaddition reaction. MASOUMEH BEHZADI, KAZEM SAIDI. ∗. , MOHAMMAD REZA ISLAMI and. HOJATOLLAH KHABAZZADEH. Department of Chemistry, Shahid Bahonar University of ...
Theoretical and Experimental Analysis of Adsorption in Surface-based Biosensors

DEFF Research Database (Denmark)

Hansen, Rasmus

The present Ph.D. dissertation concerns the application of surface plasmon resonance (SPR) spectroscopy, which is a surface-based biosensor technology, for studies of adsorption dynamics. The thesis contains both experimental and theoretical work. In the theoretical part we develop the theory...... cell of the surface-based biosensor, in addition to the sensor surface, is investigated. In the experimental part of the thesis we use a Biacore SPR sensor to study lipase adsorption on model substrate surfaces, as well as competitive adsorption of lipase and surfactants. A part of the experimental...
Experimental and theoretical investigation of high gradient acceleration

International Nuclear Information System (INIS)

Wurtele, J.S.; Bekefi, G.; Chen, C.; Chen, S.C.; Temkin, R.J.

1993-01-01

This report contains a technical progress summary of the research conducted under the auspices of DOE Grant No. DE-AC02-91-ER40648, ''Experimental and Theoretical Investigations of High Gradient Acceleration''. This grant supports three research tasks: Task A consists of the design, fabrication and testing of a 17GHz RF photocathode gun, which can produce 2ps electron pulses with up to 1nC of charge at 2MeV energy and at a 1OHz repetition rate. Task B supports the testing of high gradient acceleration at 33GHz structure, and Task C comprises theoretical investigations, both in support of the experimental tasks and on critical physics issues for the development of high energy linear colliders
Cold quark-gluon plasma. Theoretical and experimental perspectives

Energy Technology Data Exchange (ETDEWEB)

Mandzhavidze, I [Institute of Physics, Tbilisi (Georgia); Sisakyan, A N [Bogolyubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation)

1998-12-01

The arguments that extremely high-multiplicity hadron interactions at high energies are the source of cold, dense quark-gluon plasma (CQGP) created by the QCD heavy jets are offered. The possibility of calorimetric triggering and measurements of CQGP is considered. The space-time local thermodynamical formalism is adopted for field-theoretical description of such measurements. The valid phenomena in the CQGP are discussed (qualitatively) from theoretical and experimental points of view 62 refs.
Silicene: a review of recent experimental and theoretical investigations

International Nuclear Information System (INIS)

Houssa, M; Dimoulas, A; Molle, A

2015-01-01

Silicene is the silicon counterpart of graphene, i.e. it consists in a single layer of Si atoms with a hexagonal arrangement. We present a review of recent theoretical and experimental works on this novel two dimensional material. We discuss first the structural, electronic and vibrational properties of free-standing silicene, as predicted from first-principles calculations. We next review theoretical studies on the interaction of silicene with different substrates. The growth and experimental characterization of silicene on Ag(1 1 1) is next discussed, providing insights into the different phases or atomic arrangements of silicene observed on this metallic surface, as well as on its electronic structure. Recent experimental findings about the likely formation of hexagonal Si nanosheets on MoS2 are also highlighted. (topical review)
Quantitative comparison between theoretical predictions and experimental results for the BCS-BEC crossover

International Nuclear Information System (INIS)

Perali, A.; Pieri, P.; Strinati, G.C.

2004-01-01

Theoretical predictions for the Bardeen-Cooper-Schrieffer-Bose-Einstein condensation crossover of trapped Fermi atoms are compared with recent experimental results for the density profiles of L 6 i. The calculations rest on a single theoretical approach that includes pairing fluctuations beyond mean-field. Excellent agreement with experimental results is obtained. Theoretical predictions for the zero-temperature chemical potential and gap at the unitarity limit are also found to compare extremely well with Quantum Monte Carlo simulations and with recent experimental results
Vanadium supersaturated silicon system: a theoretical and experimental approach

Science.gov (United States)

Garcia-Hemme, Eric; García, Gregorio; Palacios, Pablo; Montero, Daniel; García-Hernansanz, Rodrigo; Gonzalez-Diaz, Germán; Wahnon, Perla

2017-12-01

The effect of high dose vanadium ion implantation and pulsed laser annealing on the crystal structure and sub-bandgap optical absorption features of V-supersaturated silicon samples has been studied through the combination of experimental and theoretical approaches. Interest in V-supersaturated Si focusses on its potential as a material having a new band within the Si bandgap. Rutherford backscattering spectrometry measurements and formation energies computed through quantum calculations provide evidence that V atoms are mainly located at interstitial positions. The response of sub-bandgap spectral photoconductance is extended far into the infrared region of the spectrum. Theoretical simulations (based on density functional theory and many-body perturbation in GW approximation) bring to light that, in addition to V atoms at interstitial positions, Si defects should also be taken into account in explaining the experimental profile of the spectral photoconductance. The combination of experimental and theoretical methods provides evidence that the improved spectral photoconductance up to 6.2 µm (0.2 eV) is due to new sub-bandgap transitions, for which the new band due to V atoms within the Si bandgap plays an essential role. This enables the use of V-supersaturated silicon in the third generation of photovoltaic devices.
SiSn diodes: Theoretical analysis and experimental verification

KAUST Repository

Hussain, Aftab M.

2015-08-24

We report a theoretical analysis and experimental verification of change in band gap of silicon lattice due to the incorporation of tin (Sn). We formed SiSn ultra-thin film on the top surface of a 4 in. silicon wafer using thermal diffusion of Sn. We report a reduction of 0.1 V in the average built-in potential, and a reduction of 0.2 V in the average reverse bias breakdown voltage, as measured across the substrate. These reductions indicate that the band gap of the silicon lattice has been reduced due to the incorporation of Sn, as expected from the theoretical analysis. We report the experimentally calculated band gap of SiSn to be 1.11 ± 0.09 eV. This low-cost, CMOS compatible, and scalable process offers a unique opportunity to tune the band gap of silicon for specific applications.
Elucidating Grinding Mechanism by Theoretical and Experimental Investigations.

Science.gov (United States)

Ullah, Amm Sharif; Caggiano, Alessandra; Kubo, Akihiko; Chowdhury, M A K

2018-02-09

Grinding is one of the essential manufacturing processes for producing brittle or hard materials-based precision parts (e.g., optical lenses). In grinding, a grinding wheel removes the desired amount of material by passing the same area on the workpiece surface multiple times. How the topography of a workpiece surface evolves with these passes is thus an important research issue, which has not yet been addressed elaborately. The present paper tackles this issue from both the theoretical and the experimental points of view. In particular, this paper presents the results of experimental and theoretical investigations on the multi-pass surface grinding operations where the workpiece surface is made of glass and the grinding wheel consists of cBN abrasive grains. Both investigations confirm that a great deal of stochasticity is involved in the grinding mechanism, and the complexity of the workpiece surface gradually increases along with the number of passes.
SiSn diodes: Theoretical analysis and experimental verification

KAUST Repository

Hussain, Aftab M.; Wehbe, Nimer; Hussain, Muhammad Mustafa

2015-01-01

We report a theoretical analysis and experimental verification of change in band gap of silicon lattice due to the incorporation of tin (Sn). We formed SiSn ultra-thin film on the top surface of a 4 in. silicon wafer using thermal diffusion of Sn
Elucidating Grinding Mechanism by Theoretical and Experimental Investigations

Directory of Open Access Journals (Sweden)

AMM Sharif Ullah

2018-02-01

Full Text Available Grinding is one of the essential manufacturing processes for producing brittle or hard materials-based precision parts (e.g., optical lenses. In grinding, a grinding wheel removes the desired amount of material by passing the same area on the workpiece surface multiple times. How the topography of a workpiece surface evolves with these passes is thus an important research issue, which has not yet been addressed elaborately. The present paper tackles this issue from both the theoretical and the experimental points of view. In particular, this paper presents the results of experimental and theoretical investigations on the multi-pass surface grinding operations where the workpiece surface is made of glass and the grinding wheel consists of cBN abrasive grains. Both investigations confirm that a great deal of stochasticity is involved in the grinding mechanism, and the complexity of the workpiece surface gradually increases along with the number of passes.
An Experimental and Theoretical High Energy Physics Program

Energy Technology Data Exchange (ETDEWEB)

Shipsey, Ian

2012-07-31

The Purdue High Energy Physics Group conducts research in experimental and theoretical elementary particle physics and experimental high energy astrophysics. Our goals, which we share with high energy physics colleagues around the world, are to understand at the most fundamental level the nature of matter, energy, space and time, and in order to explain the birth, evolution and fate of the Universe. The experiments in which we are currently involved are: CDF, CLEO-c, CMS, LSST, and VERITAS. We have been instrumental in establishing two major in-house facilities: The Purdue Particle Physics Microstructure Detector Facility (P3MD) in 1995 and the CMS Tier-2 center in 2005. The research efforts of the theory group span phenomenological and theoretical aspects of the Standard Model as well as many of its possible extensions. Recent work includes phenomenological consequences of supersymmetric models, string theory and applications of gauge/gravity duality, the cosmological implications of massive gravitons, and the physics of extra dimensions.
Experimental and Theoretical Progress on the GEM Theory

Science.gov (United States)

Brandenburg, J. E.

This paper reports experimental and theoretical progress on the GEM unification theory. In theoretical progress, the derivation of the GEM theory using it in a fully covariant form is achieved based on the principle of self-cancellation of the ZPF EM stress-momentum tensor. This derivation reveals that the final Gravity-EM system obeys a Helmholtz-like equation resembling that governing sound propagation. Finally an improved derivation of the formula for the Newton Gravitation constant is shown, qresulting in the formula G = e2/(4πɛ0 me mp) α exp (-2 (α-.86/σ2…) = 6.673443 x10-11 N-m2 kg-2 that agrees with experimental values to 3 parts per 100,000. Experiments have found parity violating weight reductions in gyroscopes driven by rotating EM fields. These experiments appear to confirm gravity modification using electromagnetism predicted by the GEM theory through the Vacuum Bernoulli Equation.

Wireless Information-Theoretic Security in an Outdoor Topology with Obstacles: Theoretical Analysis and Experimental Measurements

Directory of Open Access Journals (Sweden)

Dagiuklas Tasos

2011-01-01

Full Text Available This paper presents a Wireless Information-Theoretic Security (WITS scheme, which has been recently introduced as a robust physical layer-based security solution, especially for infrastructureless networks. An autonomic network of moving users was implemented via 802.11n nodes of an ad hoc network for an outdoor topology with obstacles. Obstructed-Line-of-Sight (OLOS and Non-Line-of-Sight (NLOS propagation scenarios were examined. Low-speed user movement was considered, so that Doppler spread could be discarded. A transmitter and a legitimate receiver exchanged information in the presence of a moving eavesdropper. Average Signal-to-Noise Ratio (SNR values were acquired for both the main and the wiretap channel, and the Probability of Nonzero Secrecy Capacity was calculated based on theoretical formula. Experimental results validate theoretical findings stressing the importance of user location and mobility schemes on the robustness of Wireless Information-Theoretic Security and call for further theoretical analysis.
Experimental and theoretical evidence for the chaotic dynamics of complex structures

International Nuclear Information System (INIS)

Agop, M; Dimitriu, D G; Poll, E; Niculescu, O; Radu, V

2013-01-01

This paper presents the experimental results on the formation, dynamics and evolution towards chaos of complex space charge structures that emerge in front of a positively biased electrode immersed in a quiescent plasma. In certain experimental conditions, we managed to obtain the so-called multiple double layers (MDLs) with non-concentric configuration. Our experiments show that the interactions between each MDL's constituent entities are held responsible for the complex dynamics and eventually for its transition to chaos through cascades of spatio-temporal sub-harmonic bifurcations. Further, we build a theoretical model based on the fractal approximation (scale relativity theory) in order to reproduce the experimental results (plasma self-structuring and scenario of evolution to chaos). Comparing the experimental results with the theoretical ones, we observe a good correlation between them. (paper)
Control System Design for Active Lubrication with Theoretical and Experimental Examples

DEFF Research Database (Denmark)

Santos, Ilmar; Scalabrin, A.

2003-01-01

This work focuses on the theoretical and experimental behavior of rigid rotors controlled by tilting-pad journal bearings with active oil injection. Initially the mathematical model of the active bearing is presented: The equations that describe the dynamics of hydraulic actuators are introduced...... system of the active bearing based on root locus curves. The active system stability is analyzed by calculating its eigenvalues and frequency response curves. The theoretical and experimental results show that this kind of bearing can significantly reduce the vibration level of rotating machinery....
International Conference on Recent Advances in Spectroscopy : Theoretical, Experimental, and Astrophysical Perspectives

CERN Document Server

Chaudhuri, Rajat K; Raveendran, A. V; Satya Narayanan, A; Recent Advances in Spectroscopy : Theoretical, Astrophysical and Experimental Perspectives

2010-01-01

In recent years there have been great advances in the fields of laboratory and astronomical spectroscopy. These have been equally matched by large-scale computations using state-of-the-art theoretical methods. The accurate atomic opacities that are available today play a great role in the field of biomedical research using nanotechnology. The proceedings of the "International Conference on Recent Advances in Spectroscopy: Theoretical, Experimental and Astrophysical Perspectives" contain both invited and contributory papers, which give the most recent results by the peers in the areas of theoretical and experimental atomic physics as well as observational astrophysics.
Experimental and theoretical analysis of cracking in drying soils

OpenAIRE

Lakshmikantha, M.R.

2009-01-01

The thesis focuses on the experimental and theoretical aspects of the process of cracking in drying soils. The results and conclusions were drawn from an exhaustive experimental campaign characterised by innovative multidisciplinary aspects incorporating Fracture Mechanics and classical Soil mechanics, aided with image analysis techniques. A detailed study of the previous works on the topic showed the absence of large scale fully monitored laboratory tests, while the existing studies were per...
Main directions of Research Institute of Experimental and Theoretic Physics

International Nuclear Information System (INIS)

Tazhibaeva, I.L.

1997-01-01

The characteristic of main directions of the Research Institute of Experimental and Theoretic Physics (RIETF) activity is given in the paper. It is noted, that Institute is headquarters organisation in 4 following scientific programs of Ministry of Science - Academy of Science of Republic of Kazakhstan: Physics and mechanics of gases, plasma and liquid; Theoretical physics; Nonlinear processes and structural self-organization of substance; Research works Comet. Since 1994 RIETF is one of executors on interstate scientific program ITER. There are following priorities in activity of the institute: - actual problems of relativity theory, gravitation and quantum mechanics; - research on combustion problems and heat-mass-transfer; - physics of gases, plasma and liquid; physics non-equilibrium processes in plasma an in plasma-similar media; - solid state physics and material testing problems; modification of materials properties; electrophysical, optical and structural researches of substance; - interactions of nuclear, electromagnet radiation and accelerated particles with substance; - theoretical and experimental nuclear physics and physics of cosmic rays
Tesla Coil Theoretical Model and its Experimental Verification

Directory of Open Access Journals (Sweden)

Voitkans Janis

2014-12-01

Full Text Available In this paper a theoretical model of Tesla coil operation is proposed. Tesla coil is described as a long line with distributed parameters in a single-wire form, where the line voltage is measured across electrically neutral space. By applying the principle of equivalence of single-wire and two-wire schemes an equivalent two-wire scheme can be found for a single-wire scheme and the already known long line theory can be applied to the Tesla coil. A new method of multiple reflections is developed to characterize a signal in a long line. Formulas for calculation of voltage in Tesla coil by coordinate and calculation of resonance frequencies are proposed. The theoretical calculations are verified experimentally. Resonance frequencies of Tesla coil are measured and voltage standing wave characteristics are obtained for different output capacities in the single-wire mode. Wave resistance and phase coefficient of Tesla coil is obtained. Experimental measurements show good compliance with the proposed theory. The formulas obtained in this paper are also usable for a regular two-wire long line with distributed parameters.
Solar pond conception - experimental and theoretical studies

Energy Technology Data Exchange (ETDEWEB)

Kurt, Huseyin [Zonguldak Karaelmas Univ., Technical Education Faculty, Karabuk (Turkey); Halici, Fethi [Sakarya Univ., Mechanical Engineering Dept., Adapazari (Turkey); Binark, A. Korhan [Marmara Univ., Technical Education Faculty, Istanbul (Turkey)

2000-07-01

A one dimensional transient mathematical model for predicting the thermal performance of the salt gradient solar pond is developed and presented. In this paper, the natural solar ponds and different artificial solar pond systems found in the literature are introduced. Necessary modifications are made on the experimental stand located in Istanbul Technical University, the experimental stand is introduced and natural phenomena produced in the pond by the different solar pond variations under natural conditions are observed. In the theoretical work based on a one dimensional unsteady state heat conduction model with internal heat generation, the energy and mass balance equations for the upper convective zone, the non-convective zone and the lower convective zone, all of which form the solar pond, are written in terms of differential equations. These equations are solved analytically and numerically. The results obtained from the analysis are compared with the experimental results. The temperature and the concentration profiles are separately presented in the figures. (Author)
Theoretical background and experimental measurements of human brain noise intensity in perception of ambiguous images

International Nuclear Information System (INIS)

Runnova, Anastasiya E.; Hramov, Alexander E.; Grubov, Vadim V.; Koronovskii, Alexey A.; Kurovskaya, Maria K.; Pisarchik, Alexander N.

2016-01-01

We propose a theoretical approach associated with an experimental technique to quantitatively characterize cognitive brain activity in the perception of ambiguous images. Based on the developed theoretical background and the obtained experimental data, we introduce the concept of effective noise intensity characterizing cognitive brain activity and propose the experimental technique for its measurement. The developed theory, using the methods of statistical physics, provides a solid experimentally approved basis for further understanding of brain functionality. The rather simple way to measure the proposed quantitative characteristic of the brain activity related to the interpretation of ambiguous images will hopefully become a powerful tool for physicists, physiologists and medics. Our theoretical and experimental findings are in excellent agreement with each other.
Theoretical and Experimental Spectroscopic Analysis of Cyano-Substituted Styrylpyridine Compounds

Directory of Open Access Journals (Sweden)

Jorge Lopez-Cruz

2013-02-01

Full Text Available A combined theoretical and experimental study on the structure, infrared, UV-Vis and 1H NMR data of trans-2-(m-cyanostyrylpyridine, trans-2-[3-methyl-(m-cyanostyryl]pyridine and trans-4-(m-cyanostyrylpyridine is presented. The synthesis was carried out with an efficient Knoevenagel condensation using green chemistry conditions. Theoretical geometry optimizations and their IR spectra were carried out using the Density Functional Theory (DFT in both gas and solution phases. For theoretical UV-Vis and 1H NMR spectra, the Time-Dependent DFT (TD-DFT and the Gauge-Including Atomic Orbital (GIAO methods were used, respectively. The theoretical characterization matched the experimental measurements, showing a good correlation. The effect of cyano- and methyl- substituents, as well as of the N-atom position in the pyridine ring on the UV-Vis, IR and NMR spectra, was evaluated. The UV-Vis results showed no significant effect due to electron-withdrawing cyano- and electron-donating methyl-substituents. The N-atom position, however, caused a slight change in the maximum absorption wavelengths. The IR normal modes were assigned for the cyano- and methyl-groups. 1H NMR spectra showed the typical doublet signals due to protons in the trans position of a double bond. The theoretical characterization was visibly useful to assign accurately the signals in IR and 1H NMR spectra, as well as to identify the most probable conformation that could be present in the formation of the styrylpyridine-like compounds.
An Experimental and Theoretical Investigation of Electrostatically Coupled Cantilever Microbeams

KAUST Repository

Ilyas, Saad; Chappanda, Karumbaiah N.; Hafiz, Md Abdullah Al; Ramini, Abdallah; Younis, Mohammad I.

2016-01-01

We present an experimental and theoretical investigation of the static and dynamic behavior of electrostatically coupled laterally actuated silicon microbeams. The coupled beam resonators are composed of two almost identical flexible cantilever
'Impulsar': Experimental and Theoretical Investigations

International Nuclear Information System (INIS)

Apollonov, V. V.

2008-01-01

The Objective of the 'Impulsar' project is to accomplish a circle of experimental, engineering and technological works on creation of a high efficiency laser rocket engine. The project includes many organizations of the rocket industry and Academy of Sciences of Russia. High repetition rate pulse-periodic CO 2 laser system project for launching will be presented. Optical system for 15 MW laser energy delivery and optical matrix of laser engine receiver will by discussed as well. Basic characteristics of the laser-based engine will be compared with theoretical predictions and important stages of further technology implementation (low frequency resonance). Relying on a wide cooperation of different branches of science and industry organizations it is very possible to use the accumulated potential for launching of nano-vehicles during the upcoming 4-5 years
Protonation of caffeine: A theoretical and experimental study

Energy Technology Data Exchange (ETDEWEB)

Bahrami, Hamed [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Tabrizchi, Mahmoud, E-mail: m-tabriz@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Farrokhpour, Hossein [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

2013-03-29

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M{sup +} ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule.
Protonation of caffeine: A theoretical and experimental study

International Nuclear Information System (INIS)

Bahrami, Hamed; Tabrizchi, Mahmoud; Farrokhpour, Hossein

2013-01-01

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M + ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule
Theoretical and experimental studies on transient forced convection heat transfer of helium gas

International Nuclear Information System (INIS)

Liu, Qiusheng; Fukuda, Katsuya; Shibahara, Makoto

2008-01-01

Forced convection transient heat transfer for helium gas at various periods of exponential increase of heat input to a horizontal cylinder and a plate (ribbon) one was experimentally and theoretically studied. In the experimental studies, the authors measured heat flux, surface temperature, and transient heat transfer coefficients for forced convection flow of helium gas over a horizontal cylinder and a plate (ribbon) one under wide experimental conditions. Empirical correlations for quasi-steady-state heat transfer and transient heat transfer were obtained based on the experimental data. In the theoretical study, transient heat transfer was numerically solved based on a turbulent flow model. The values of numerical solution for surface temperature and heat flux were compared and discussed with authors' experimental data. (author)
Experimental and Theoretical Investigations of a Mechanical Lever System Driven by a DC Motor

Science.gov (United States)

Nana, B.; Fautso Kuiate, G.; Yamgoué, S. B.

This paper presents theoretical and experimental results on the investigation of the dynamics of a nonlinear electromechanical system made of a lever arm actuated by a DC motor and controlled through a repulsive magnetic force. We use the method of harmonic balance to derive oscillatory solutions. Theoretical tools such as, bifurcation diagrams, Lyapunov exponents, phase portraits, are used to unveil the rich nonlinear behavior of the system including chaos and hysteresis. The experimental results are in close accordance with the theoretical predictions.
Current status of antiproton impact ionization of atoms and molecules: theoretical and experimental perspectives

DEFF Research Database (Denmark)

Kirchner, Tom; Knudsen, Helge

2011-01-01

Experimental and theoretical progress in the field of antiproton-impact-induced ionization of atoms and molecules is reviewed. We describe the techniques used to measure ionization cross sections and give an overview of the experimental results supplemented by tables of all existing data. An atte......Experimental and theoretical progress in the field of antiproton-impact-induced ionization of atoms and molecules is reviewed. We describe the techniques used to measure ionization cross sections and give an overview of the experimental results supplemented by tables of all existing data...
Physics of mind: Experimental confirmations of theoretical predictions.

Science.gov (United States)

Schoeller, Félix; Perlovsky, Leonid; Arseniev, Dmitry

2018-02-02

What is common among Newtonian mechanics, statistical physics, thermodynamics, quantum physics, the theory of relativity, astrophysics and the theory of superstrings? All these areas of physics have in common a methodology, which is discussed in the first few lines of the review. Is a physics of the mind possible? Is it possible to describe how a mind adapts in real time to changes in the physical world through a theory based on a few basic laws? From perception and elementary cognition to emotions and abstract ideas allowing high-level cognition and executive functioning, at nearly all levels of study, the mind shows variability and uncertainties. Is it possible to turn psychology and neuroscience into so-called "hard" sciences? This review discusses several established first principles for the description of mind and their mathematical formulations. A mathematical model of mind is derived from these principles. This model includes mechanisms of instincts, emotions, behavior, cognition, concepts, language, intuitions, and imagination. We clarify fundamental notions such as the opposition between the conscious and the unconscious, the knowledge instinct and aesthetic emotions, as well as humans' universal abilities for symbols and meaning. In particular, the review discusses in length evolutionary and cognitive functions of aesthetic emotions and musical emotions. Several theoretical predictions are derived from the model, some of which have been experimentally confirmed. These empirical results are summarized and we introduce new theoretical developments. Several unsolved theoretical problems are proposed, as well as new experimental challenges for future research. Copyright © 2017. Published by Elsevier B.V.
Sodium fires: French strategy - theoretical and experimental developments

International Nuclear Information System (INIS)

Descombes; Thomann; Malet, J.C.; Rzekiecki, R.

1985-01-01

After a description of the needs relating to LMFBR safety analysis and design in terms of prevention, detection and protection, the French strategy concerning sodium fires it presented. It includes theoretical developments supported with relevant experimental program, to allow reliable calculations and predictions for safety and design. The following physical phenomena are detailed: (1) sodium fire (mechanical and thermal effects); (2) sodium-structures interactions; (3) aerosols behavior
Experimental and theoretical analysis of a hybrid solar thermoelectric generator with forced convection cooling

Science.gov (United States)

Sundarraj, Pradeepkumar; Taylor, Robert A.; Banerjee, Debosmita; Maity, Dipak; Sinha Roy, Susanta

2017-01-01

Hybrid solar thermoelectric generators (HSTEGs) have garnered significant research attention recently due to their potential ability to cogenerate heat and electricity. In this paper, theoretical and experimental investigations of the electrical and thermal performance of a HSTEG system are reported. In order to validate the theoretical model, a laboratory scale HSTEG system (based on forced convection cooling) is developed. The HSTEG consists of six thermoelectric generator modules, an electrical heater, and a stainless steel cooling block. Our experimental analysis shows that the HSTEG is capable of producing a maximum electrical power output of 4.7 W, an electrical efficiency of 1.2% and thermal efficiency of 61% for an average temperature difference of 92 °C across the TEG modules with a heater power input of 382 W. These experimental results of the HSTEG system are found to be in good agreement with the theoretical prediction. This experimental/theoretical analysis can also serve as a guide for evaluating the performance of the HSTEG system with forced convection cooling.

Theoretical and Experimental Estimations of Volumetric Inductive Phase Shift in Breast Cancer Tissue

Science.gov (United States)

González, C. A.; Lozano, L. M.; Uscanga, M. C.; Silva, J. G.; Polo, S. M.

2013-04-01

Impedance measurements based on magnetic induction for breast cancer detection has been proposed in some studies. This study evaluates theoretical and experimentally the use of a non-invasive technique based on magnetic induction for detection of patho-physiological conditions in breast cancer tissue associated to its volumetric electrical conductivity changes through inductive phase shift measurements. An induction coils-breast 3D pixel model was designed and tested. The model involves two circular coils coaxially centered and a human breast volume centrally placed with respect to the coils. A time-harmonic numerical simulation study addressed the effects of frequency-dependent electrical properties of tumoral tissue on the volumetric inductive phase shift of the breast model measured with the circular coils as inductor and sensor elements. Experimentally; five female volunteer patients with infiltrating ductal carcinoma previously diagnosed by the radiology and oncology departments of the Specialty Clinic for Women of the Mexican Army were measured by an experimental inductive spectrometer and the use of an ergonomic inductor-sensor coil designed to estimate the volumetric inductive phase shift in human breast tissue. Theoretical and experimental inductive phase shift estimations were developed at four frequencies: 0.01, 0.1, 1 and 10 MHz. The theoretical estimations were qualitatively in agreement with the experimental findings. Important increments in volumetric inductive phase shift measurements were evident at 0.01MHz in theoretical and experimental observations. The results suggest that the tested technique has the potential to detect pathological conditions in breast tissue associated to cancer by non-invasive monitoring. Further complementary studies are warranted to confirm the observations.
Experimental and theoretical study of steam condensation induced water hammer phenomena

International Nuclear Information System (INIS)

Barna, Imre Ferenc; Baranyai, Gabor; Ezsoel, Gyoergy

2009-01-01

We investigate steam condensation induced water hammer (waha) phenomena and present experimental and theoretical results. Some of the experiments were performed in the PMK-2 facility, which is a full-pressure thermohydraulic model of the nuclear power plant of VVER-440/312 type and located in the Atomic Energy Research Institute Budapest, Hungary. Other experiments were done in the ROSA facility in Japan. On the theoretical side waha is studied and analyzed with the WAHA3 model based on two-phase flow six first-order partial differential equations that present one dimensional, surface averaged mass, momentum and energy balances. A second order accurate high-resolution shock-capturing numerical scheme was applied with different kind of limiters in the numerical calculations. The applied two-fluid model shows some similarities to Relap5 which is widely used in the nuclear industry to simulate nuclear power plant accidents. Experimentally measured and theoretically calculated waha pressure peaks are in qualitative agreement. (author)
Experimental and theoretical studies of bombardment induced surface morphology changes

International Nuclear Information System (INIS)

Carter, G.; Nobes, M.J.; Williams, J.S.

1980-01-01

In this review results of experimental and theoretical studies of solid surface morphology changes due to ion bombardment are discussed. An attempt is undertaken to classify the observed specific features of a structure, generated by ion bombardment [ru
Experimental-theoretical analysis of laminar internal forced convection with nanofluids

Energy Technology Data Exchange (ETDEWEB)

Cerqueira, Ivana G.; Cotta, Renato M. [Lab. of Transmission and Technology of Heat-LTTC. Mechanical Eng. Dept. - POLI and COPPE/UFRJ, Rio de Janeiro, RJ (Brazil)], E-mail: cotta@mecanica.coppe.ufrj.br; Mota, Carlos Alberto A. [Conselho Nacional de Pesquisas - CNPq, Brasilia, DF (Brazil)], e-mail: carlosal@cnpq.br; Nunes, Jeziel S. [INPI, Rio de Janeiro, RJ (Brazil)], e-mail: jeziel@inpi.gov.br

2010-07-01

This work reports fundamental experimental-theoretical research related to heat transfer enhancement in laminar channel flow with nanofluids, which are essentially modifications of the base fluid with the dispersion of metal oxide nanoparticles. The theoretical work was performed by making use of mixed symbolic-numerical computation (Mathematica 7.0 platform) and a hybrid numerical-analytical methodology (Generalized Integral Transform Technique - GITT) in accurately handling the governing partial differential equations for the heat and fluid flow problem formulation with temperature dependency in all the thermophysical properties. Experimental work was also undertaken based on a thermohydraulic circuit built for this purpose, and sample results are presented to verify the proposed model. The aim is to illustrate detailed modeling and robust simulation attempting to reach an explanation of the controversial heat transfer enhancement observed in laminar forced convection with nanofluids. (author)
Experimental and theoretical advances in fluid dynamics

CERN Document Server

Klapp, Jaime; Fuentes, Oscar Velasco

2011-01-01

The book is comprised of lectures and selected contributions presented at the Enzo Levi and XVI Annual Meeting of the Fluid Dynamic Division of the Mexican Physical Society in 2010. It is aimed at fourth year undergraduate and graduate students, as well as scientists in the fields of physics, engineering and chemistry with an interest in fluid dynamics from the experimental and theoretical point of view. The lectures are introductory and avoid the use of complicated mathematics. The other selected contributions are also geared to fourth year undergraduate and graduate students. The fluid dynam
Theoretical & Experimental Research in Weak, Electromagnetic & Strong Interactions

Energy Technology Data Exchange (ETDEWEB)

Nandi, Satyanarayan [Oklahoma State Univ., Stillwater, OK (United States); Babu, Kaladi [Oklahoma State Univ., Stillwater, OK (United States); Rizatdinova, Flera [Oklahoma State Univ., Stillwater, OK (United States); Khanov, Alexander [Oklahoma State Univ., Stillwater, OK (United States); Haley, Joseph [Oklahoma State Univ., Stillwater, OK (United States)

2015-09-17

The conducted research spans a wide range of topics in the theoretical, experimental and phenomenological aspects of elementary particle interactions. Theory projects involve topics in both the energy frontier and the intensity frontier. The experimental research involves energy frontier with the ATLAS Collaboration at the Large Hadron Collider (LHC). In theoretical research, novel ideas going beyond the Standard Model with strong theoretical motivations were proposed, and their experimental tests at the LHC and forthcoming neutrino facilities were outlined. These efforts fall into the following broad categories: (i) TeV scale new physics models for LHC Run 2, including left-right symmetry and trinification symmetry, (ii) unification of elementary particles and forces, including the unification of gauge and Yukawa interactions, (iii) supersummetry and mechanisms of supersymmetry breaking, (iv) superworld without supersymmetry, (v) general models of extra dimensions, (vi) comparing signals of extra dimensions with those of supersymmetry, (vii) models with mirror quarks and mirror leptons at the TeV scale, (viii) models with singlet quarks and singlet Higgs and their implications for Higgs physics at the LHC, (ix) new models for the dark matter of the universe, (x) lepton flavor violation in Higgs decays, (xi) leptogenesis in radiative models of neutrino masses, (xii) light mediator models of non-standard neutrino interactions, (xiii) anomalous muon decay and short baseline neutrino anomalies, (xiv) baryogenesis linked to nucleon decay, and (xv) a new model for recently observed diboson resonance at the LHC and its other phenomenological implications. The experimental High Energy Physics group has been, and continues to be, a successful and productive contributor to the ATLAS experiment at the LHC. Members of the group performed search for gluinos decaying to stop and top quarks, new heavy gauge bosons decaying to top and bottom quarks, and vector-like quarks
Experimental and Theoretical Deflections of Hybrid Composite Sandwich Panel under Four-point Bending Load

Directory of Open Access Journals (Sweden)

Jauhar Fajrin

2017-03-01

Full Text Available This paper presents a comparison of theoretical and experimental deflection of a hybrid sandwich panel under four-point bending load. The paper initially presents few basic equations developed under three-point load, followed by development of model under four-point bending load and a comparative analysis between theoretical and experimental results. It was found that the proposed model for predicting the deflection of hybrid sandwich panels provided fair agreement with the experimental values. Most of the sandwich panels showed theoretical deflection values higher than the experimental values, which is desirable in the design. It was also noticed that the introduction of intermediate layer does not contribute much to reduce the deflection of sandwich panel as the main contributor for the total deflection was the shear deformation of the core that mostly determined by the geometric of the samples and the thickness of the core.
Theoretical and Experimental Study on Secondary Piezoelectric Effect Based on PZT-5

International Nuclear Information System (INIS)

Zhang, Z H; Sun, B Y; Shi, L P

2006-01-01

The purpose of this paper is to confirm the existence of secondary and multiple piezoelectric effect theoretically and experimentally. Based on Heckmann model showing the relationship among mechanical, electric and heat energy and the physical model on mechanical, electric, heat, and magnetic energy, theoretical analysis of multiple piezoelectric effect is made through four kinds of piezoelectric equations. Experimental research of secondary direct piezoelectric effect is conducted through adopting PZT-5 piles. The result of the experiment indicates that charge generated by secondary direct piezoelectric effect as well as displacement caused by first converse piezoelectric effect keeps fine linearity with the applied voltage
Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

Science.gov (United States)

Çırak, Çağrı; Demir, Selçuk; Ucun, Fatih; Çubuk, Osman

2011-08-01

Experimental and theoretical vibrational spectra of β-2-aminopyridinium dihydrogenphosphate (β-2APDP) have been investigated. The FT-IR spectrum of β-2APDP was recorded in the region 4000-400 cm -1. The optimized molecular structure and theoretical vibrational frequencies of β-2APDP have been investigated using ab initio Hartree-Fock (HF) and density functional B3LYP method with 6-311++G(d,p) basis set. The optimized geometric parameters (bond lengths and bond angles) and theoretical frequencies have been compared with the corresponding experimental data and it is found that they agree well with each other. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Furthermore, the used scale factors were obtained from the ratio of the frequency values of the strongest peaks in the experimental and theoretical IR spectra. From the results it was concluded that the B3LYP method is superior to the HF method for the vibrational frequencies.
Low-Temperature Experimental and Theoretical Rate Constants for the O(1D) + H2 Reaction.

Science.gov (United States)

Hickson, Kevin M; Suleimanov, Yury V

2017-03-09

In the present joint experimental and theoretical study, we report thermal rate constants for the O( 1 D) + H 2 reaction within the 50-300 K temperature range. Experimental kinetics measurements were performed using a continuous supersonic flow reactor coupled with pulsed laser photolysis for O( 1 D) production and pulsed laser-induced fluorescence in the vacuum ultraviolet wavelength range (VUV LIF) for O( 1 D) detection. Theoretical rate constants were obtained using the ring polymer molecular dynamics (RPMD) approach over the two lowest potential energy surfaces 1 1 A' and 1 1 A″, which possess barrierless and thermally activated energy profiles, respectively. Both the experimental and theoretical rate constants exhibit a weak temperature dependence. The theoretical results show the dominant role of the 1 1 A' ground state and that contribution of the 1 1 A″ excited state to the total thermal rate decreases dramatically at lower temperature. Agreement between the experimental and theoretical results is good, and the discrepancy does not exceed 25%. It is argued that these differences are likely to be due to nonadiabatic couplings between the 1 1 A' and 2 1 A' surfaces.
Theoretical-experimental comparison of vitrified glass container behavior using the Castem system

International Nuclear Information System (INIS)

Moncouyoux, J.P.; Jamet, P.; Combescure, A.; Millard, A.

1989-01-01

This paper compares theoretical predictions of vitrified nuclear waste glass package collapse with experimental values in order to qualify the mathematical models describing canister deformation under external pressure loads. After briefly outlining the program and describing the experiments performed, the paper discusses the theoretical predictions based on the INCA code from the CEA's CASTEM system
Temperature dependence of OSL decay curves: Experimental and theoretical aspects

DEFF Research Database (Denmark)

McKeever, S.W.S.; Bøtter-Jensen, L.; Agersnap Larsen, N.

1997-01-01

; (2) thermally assisted optical stimulation; (3) thermal quenching; and (4) localized donor-acceptor type recombination. Experimental OSL data from natural quartz and feldspars, stimulated with both green and infra-red light, are examined in the light of the theoretical considerations. (C) 1997...
Molecular physics. Theoretical principles and experimental methods

International Nuclear Information System (INIS)

Demtroeder, W.

2005-01-01

This advanced textbook comprehensively explains important principles of diatomic and polyatomic molecules and their spectra in two separate, distinct parts. The first part concentrates on the theoretical aspects of molecular physics, whereas the second part of the book covers experimental techniques, i.e. laser, Fourier, NMR, and ESR spectroscopies, used in the fields of physics, chemistry, biolog, and material science. Appropriate for undergraduate and graduate students in physics and chemistry with a knowledge of atomic physics and familiar with the basics of quantum mechanics. From the contents: - Electronic States of Molecules, - Rotation, Oscillation and Potential Curves of Diatomic Molecules, - The Spectra of Diatomic Molecules, - Molecule Symmetries and Group Theory, - Rotation and Oscillations of Polyatomic Molecules, - Electronic States of Polyatomic Molecules, - The Spectra of Polyatomic Molecules, - Collapse of the Born-Oppenheimer-Approximation, Disturbances in Molecular Spectra, - Molecules in Disturbing Fields, - Van-der-Waals-Molecules and Cluster, - Experimental Techniques in Molecular Physics. (orig.)
Spectroscopic Analysis of Neurotransmitters: A Theoretical and Experimental Raman Study

Science.gov (United States)

Alonzo, Matthew

Surface-enhanced Raman spectroscopy (SERS) was applied to investigate the feasibility in the detection and monitoring of the dopamine (DA) neurotransmitter adsorbed onto silver nanoparticles (Ag NPs) at 10-11 molar, a concentration far below physiological levels. In addition, density functional theory (DFT) calculations were obtained with the Gaussian-09 analytical suite software to generate the theoretical molecular configuration of DA in its neutral, cationic, anionic, and dopaminequinone states for the conversion of computer-simulated Raman spectra. Comparison of theoretical and experimental results show good agreement and imply the presence of dopamine in all of its molecular forms in the experimental setting. The dominant dopamine Raman bands at 750 cm-1 and 795 cm-1 suggest the adsorption of dopaminequinone onto the silver nanoparticle surface. The results of this experiment give good insight into the applicability of using Raman spectroscopy for the biodetection of neurotransmitters.
Theoretical and Experimental Impact Analysis of Decision Support Systems for Advanced MCR Operators

International Nuclear Information System (INIS)

Lee, Seung Jun; Seong, Poong Hyun

2008-01-01

Human error is recognized as one of the main causes of nuclear power plant (NPP) accidents, and there have been efforts to reduce and prevent human errors by developing various operator support systems. Before adapting these support systems to actual NPPs, it is necessary to validate their reliability and to evaluate their effect on operator performance. Particularly for safety-critical systems such as NPPs, the validation and evaluation of support systems is as important as the design of good systems. Such evaluations may be carried out through a theoretical modelling or experimentation. The objective of this study is to investigate the effects of decision support systems on operator performance by both theoretical and experimental methods. The target system is an integrated decision support system including four decision support sub-systems. In the results of both the theoretical and experimental evaluations, the decision support systems revealed positive effects, and several trends were observed. (authors)
Theoretical and Experimental Impact Analysis of Decision Support Systems for Advanced MCR Operators

Energy Technology Data Exchange (ETDEWEB)

Lee, Seung Jun [Korea Atomic Energy Research Institute, 1045 Daedeok-daero, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of); Seong, Poong Hyun [Korea Advanced Institute of Science and Technology, Guseong-dong, Yuseong-gu, Daejeon, 305-703 (Korea, Republic of)

2008-07-01

Human error is recognized as one of the main causes of nuclear power plant (NPP) accidents, and there have been efforts to reduce and prevent human errors by developing various operator support systems. Before adapting these support systems to actual NPPs, it is necessary to validate their reliability and to evaluate their effect on operator performance. Particularly for safety-critical systems such as NPPs, the validation and evaluation of support systems is as important as the design of good systems. Such evaluations may be carried out through a theoretical modelling or experimentation. The objective of this study is to investigate the effects of decision support systems on operator performance by both theoretical and experimental methods. The target system is an integrated decision support system including four decision support sub-systems. In the results of both the theoretical and experimental evaluations, the decision support systems revealed positive effects, and several trends were observed. (authors)
Synergy between experimental and theoretical methods in the exploration of homogeneous transition metal catalysis

DEFF Research Database (Denmark)

Lupp, Daniel; Christensen, Niels Johan; Fristrup, Peter

2014-01-01

n this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can be complem......n this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can...... be complemented by computational chemistry – in particular in cases where interpretation of the experimental results is not straightforward. The good correspondence between experiment and theory is only possible due to recent advances within the applied theoretical framework. We therefore also highlight...
An Experimental and Theoretical Investigation of Electrostatically Coupled Cantilever Microbeams

KAUST Repository

Ilyas, Saad

2016-06-16

We present an experimental and theoretical investigation of the static and dynamic behavior of electrostatically coupled laterally actuated silicon microbeams. The coupled beam resonators are composed of two almost identical flexible cantilever beams forming the two sides of a capacitor. The experimental and theoretical analysis of the coupled system is carried out and compared against the results of beams actuated with fixed electrodes individually. The pull-in characteristics of the electrostatically coupled beams are studied, including the pull-in time. The dynamics of the coupled dual beams are explored via frequency sweeps around the neighborhood of the natural frequencies of the system for different input voltages. Good agreement is reported among the simulation results and the experimental data. The results show considerable drop in the pull-in values as compared to single microbeam resonators. The dynamics of the coupled beam resonators are demonstrated as a way to increase the bandwidth of the resonator near primary resonance as well as a way to introduce increased frequency shift, which can be promising for resonant sensing applications. Moreover the dynamic pull-in characteristics are also studied and proposed as a way to sense the shift in resonance frequency.
The N2HDM under theoretical and experimental scrutiny

Energy Technology Data Exchange (ETDEWEB)

Mühlleitner, Margarete [Institute for Theoretical Physics, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Sampaio, Marco O.P. [Departamento de Física, Universidade de Aveiro and CIDMA, Campus de Santiago, 3810-183 Aveiro (Portugal); Santos, Rui [ISEL - Instituto Superior de Engenharia de Lisboa, Instituto Politécnico de Lisboa, 1959-007 Lisboa (Portugal); Centro de Física Teórica e Computacional, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, Edifício C8, 1749-016 Lisboa (Portugal); Wittbrodt, Jonas [Institute for Theoretical Physics, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, D-22607 Hamburg (Germany)

2017-03-17

The N2HDM is based on the CP-conserving 2HDM extended by a real scalar singlet field. Its enlarged parameter space and its fewer symmetry conditions as compared to supersymmetric models allow for an interesting phenomenology compatible with current experimental constraints, while adding to the 2HDM sector the possibility of Higgs-to-Higgs decays with three different Higgs bosons. In this paper the N2HDM is subjected to detailed scrutiny. Regarding the theoretical constraints we implement tests of tree-level perturbativity and vacuum stability. Moreover, we present, for the first time, a thorough analysis of the global minimum of the N2HDM. The model and the theoretical constraints have been implemented in ScannerS, and we provide N2HDECAY, a code based on HDECAY, for the computation of the N2HDM branching ratios and total widths including the state-of-the-art higher order QCD corrections and off-shell decays. We then perform an extensive parameter scan in the N2HDM parameter space, with all theoretical and experimental constraints applied, and analyse its allowed regions. We find that large singlet admixtures are still compatible with the Higgs data and investigate which observables will allow to restrict the singlet nature most effectively in the next runs of the LHC. Similarly to the 2HDM, the N2HDM exhibits a wrong-sign parameter regime, which will be constrained by future Higgs precision measurements.
The N2HDM under theoretical and experimental scrutiny

International Nuclear Information System (INIS)

Mühlleitner, Margarete; Sampaio, Marco O.P.; Santos, Rui; Wittbrodt, Jonas

2017-01-01

The N2HDM is based on the CP-conserving 2HDM extended by a real scalar singlet field. Its enlarged parameter space and its fewer symmetry conditions as compared to supersymmetric models allow for an interesting phenomenology compatible with current experimental constraints, while adding to the 2HDM sector the possibility of Higgs-to-Higgs decays with three different Higgs bosons. In this paper the N2HDM is subjected to detailed scrutiny. Regarding the theoretical constraints we implement tests of tree-level perturbativity and vacuum stability. Moreover, we present, for the first time, a thorough analysis of the global minimum of the N2HDM. The model and the theoretical constraints have been implemented in ScannerS, and we provide N2HDECAY, a code based on HDECAY, for the computation of the N2HDM branching ratios and total widths including the state-of-the-art higher order QCD corrections and off-shell decays. We then perform an extensive parameter scan in the N2HDM parameter space, with all theoretical and experimental constraints applied, and analyse its allowed regions. We find that large singlet admixtures are still compatible with the Higgs data and investigate which observables will allow to restrict the singlet nature most effectively in the next runs of the LHC. Similarly to the 2HDM, the N2HDM exhibits a wrong-sign parameter regime, which will be constrained by future Higgs precision measurements.

Experimental and theoretical analysis for improved microscope design of optical projection tomographic microscopy.

Science.gov (United States)

Coe, Ryan L; Seibel, Eric J

2013-09-01

We present theoretical and experimental results of axial displacement of objects relative to a fixed condenser focal plane (FP) in optical projection tomographic microscopy (OPTM). OPTM produces three-dimensional, reconstructed images of single cells from two-dimensional projections. The cell rotates in a microcapillary to acquire projections from different perspectives where the objective FP is scanned through the cell while the condenser FP remains fixed at the center of the microcapillary. This work uses a combination of experimental and theoretical methods to improve the OPTM instrument design.
Thermoelectric Generation Of Current - Theoretical And Experimental Analysis

Science.gov (United States)

Ruciński, Adam; Rusowicz, Artur

2017-12-01

This paper provides some information about thermoelectric technology. Some new materials with improved figures of merit are presented. These materials in Peltier modules make it possible to generate electric current thanks to a temperature difference. The paper indicates possible applications of thermoelectric modules as interesting tools for using various waste heat sources. Some zero-dimensional equations describing the conditions of electric power generation are given. Also, operating parameters of Peltier modules, such as voltage and electric current, are analyzed. The paper shows chosen characteristics of power generation parameters. Then, an experimental stand for ongoing research and experimental measurements are described. The authors consider the resistance of a receiver placed in the electric circuit with thermoelectric elements. Finally, both the analysis of experimental results and conclusions drawn from theoretical findings are presented. Voltage generation of about 1.5 to 2.5 V for the temperature difference from 65 to 85 K was observed when a bismuth telluride thermoelectric couple (traditionally used in cooling technology) was used.
[Experimental and theoretical high energy physics program

Energy Technology Data Exchange (ETDEWEB)

Finley, J.; Gaidos, J.A.; Loeffler, F.J.; McIlwain, R.L.; Miller, D.H.; Palfrey, T.R.; Shibata, E.I.; Shipsey, I.P.

1993-04-01

Experimental and theoretical high-energy physics research at Purdue is summarized in a number of reports. Subjects treated include the following: the CLEO experiment for the study of heavy flavor physics; gas microstrip detectors; particle astrophysics; affine Kac{endash}Moody algebra; nonperturbative mass bounds on scalar and fermion systems due to triviality and vacuum stability constraints; resonance neutrino oscillations; e{sup +}e{sup {minus}} collisions at CERN; {bar p}{endash}p collisions at FNAL; accelerator physics at Fermilab; development work for the SDC detector at SSC; TOPAZ; D-zero physics; physics beyond the standard model; and the Collider Detector at Fermilab. (RWR)
[Experimental and theoretical high energy physics program

International Nuclear Information System (INIS)

Finley, J.; Gaidos, J.A.; Loeffler, F.J.; McIlwain, R.L.; Miller, D.H.; Palfrey, T.R.; Shibata, E.I.; Shipsey, I.P.

1993-04-01

Experimental and theoretical high-energy physics research at Purdue is summarized in a number of reports. Subjects treated include the following: the CLEO experiment for the study of heavy flavor physics; gas microstrip detectors; particle astrophysics; affine Kac endash Moody algebra; nonperturbative mass bounds on scalar and fermion systems due to triviality and vacuum stability constraints; resonance neutrino oscillations; e + e - collisions at CERN; bar p endash p collisions at FNAL; accelerator physics at Fermilab; development work for the SDC detector at SSC; TOPAZ; D-zero physics; physics beyond the standard model; and the Collider Detector at Fermilab
A theoretical and experimental study of microshield circuits

Science.gov (United States)

Dib, Nihad I.; Drayton, Rhonda F.; Katehi, Linda P. B.

1993-05-01

The novel type of monolithic planar transmission line presently studied theoretically and experimentally operates without via-holes or ground-equalizing air bridges; it also radiates less than conventional coplanar waveguides and furnishes a wide range of impedances in virtue of its many design parameters. The space-domain integral equation method is used to analyze several discontinuities of the proposed line. It is shown that the proposed line discontinuities radiate less than the corresponding coplanar waveguide cases.
Point-counterpoint in physics: theoretical prediction and experimental discovery of elementary particles

International Nuclear Information System (INIS)

Leite Lopes, J.

1984-01-01

A report is given on the theoretical prediction and the experimental discovery of elementary particles from the electron to the weak intermediate vector bosons. The work of Lattes, Occhialini and Powell which put in evidence the pions predicted by Yukawa was the starting point of the modern experimental particle physics
Light scattering by particles in water theoretical and experimental foundations

CERN Document Server

Jonasz, Miroslaw

2007-01-01

Light scattering-based methods are used to characterize small particles suspended in water in a wide range of disciplines ranging from oceanography, through medicine, to industry. The scope and accuracy of these methods steadily increases with the progress in light scattering research. This book focuses on the theoretical and experimental foundations of the study and modeling of light scattering by particles in water and critically evaluates the key constraints of light scattering models. It begins with a brief review of the relevant theoretical fundamentals of the interaction of light with condensed matter, followed by an extended discussion of the basic optical properties of pure water and seawater and the physical principles that explain them. The book continues with a discussion of key optical features of the pure water/seawater and the most common components of natural waters. In order to clarify and put in focus some of the basic physical principles and most important features of the experimental data o...
Comparative evaluation of experimental and theoretical erosion resistance of materials upon electric pulse treatment

International Nuclear Information System (INIS)

Karpman, M.G.; Fetisov, G.P.; Bologov, D.V.

1999-01-01

Using the Palatnik criterion a comparative analysis is performed of the theoretical and experimental data on comparative electric erosion and erosion resistance of the electrodes and parts made of different materials upon their treatment using electric pulse technique. A reasonable qualitative agreement of the theoretical and experimental data indicates the possibility of using the Palatnik criterion to predict the serviceability of different pairs of the materials in conditions of electroerosion wear [ru
Point-counterpoint in physics: theoretical prediction and experimental discovery of elementary particles

International Nuclear Information System (INIS)

Lopes, J.L.

1984-01-01

A report is given on the theoretical prediction and the experimental discovery of elementary particles from the electron to the weak intermediate vector bosons. The work of Lattes, Occhialini and Powell which put in evidence the pions predicted by Yukawa was the starting point of the modern experimental particle physics. (Author) [pt
Theoretical and experimental studies on critical heat flux in subcooled boiling and vertical flow geometry

International Nuclear Information System (INIS)

Staron, E.

1996-01-01

Critical Heat Flux is a very important subject of interest due to design, operation and safety analysis of nuclear power plants. Every new design of the core must be thoroughly checked. Experimental studies have been performed using freon as a working fluid. The possibility of transferring of results into water equivalents has been proved. The experimental study covers vertical flow, annular geometry over a wide range of pressure, mass flow and temperature at inlet of test section. Theoretical models of Critical Heat Flux have been presented but only those which cover DNB. Computer programs allowing for numerical calculations using theoretical models have been developed. A validation of the theoretical models has been performed in accordance with experimental results. (author). 83 refs, 32 figs, 4 tabs
Fiber-optic dipping liquid analyzer: theoretical and experimental study of light transmission

International Nuclear Information System (INIS)

Zhou Ai; Liu Zhihai; Yuan Libo

2009-01-01

A fiber-optic dipping liquid analyzer (FDLA) is developed for measuring liquid properties such as concentration, refractive index, surface tension, and viscosity. An important feature of the FDLA is that a liquid drop is introduced on the end face of a fiber probe, and the drop can be regarded as a planar-convex lens. The light transmitting path and receiving power are affected by the refractive index of the liquid drop. We present a theoretical and experimental analysis of the light transmission. A mathematical model of receiving power is established based on paraxial refraction imaging and fiber reflective intensity modulation methods. Sucrose-water solutions were tested with the FDLA. The experimental results agree well with the theoretical analysis.
Theoretical and experimental evaluation of an indirect-fired GAX cycle cooling system

Energy Technology Data Exchange (ETDEWEB)

Gomez, V.H.; Vidal, A. [Posgrado en Ingenieria, Energia, Universidad Nacional Autonoma de Mexico, Privada Xochicalco S/N, Apdo. Postal 34, 62580 Temixco Morelos (Mexico); Best, R.; Garcia-Valladares, O. [Centro de Investigacion en Energia, Universidad Nacional Autonoma de Mexico, Privada Xochicalco S/N, Apdo. Postal 34, 62580 Temixco Morelos (Mexico); Velazquez, N. [Instituto de Ingenieria, Universidad Autonoma de Baja California, Calle de la Normal S/N, Insurgentes Este, 21280 Mexicali, BC (Mexico)

2008-06-15

A theoretical and experimental evaluation of an indirect-fired GAX-Prototype Cooling System (GAX-PCS), using ammonia-water as the working fluid, is presented. The GAX-PCS was designed for a cooling capacity of 10.6 kW (3 tons). A simulation model was developed, calibrated and validated with experimental values in order to predict the performance of the system outside the design parameters. Experimental results were obtained using thermal oil, at temperatures from 180 to 195 C, as heating source. An internal heat recovery in the system of {proportional_to}55% with respect to the total heat supplied in the generator was obtained. Also the performance of the GAX absorption system, integrated to a micro gas turbine (MGT) as a cogeneration system was simulated. Overall efficiencies for the cogeneration system from 29% to 49% were obtained for cooling loads from 5 kW to 20 kW, respectively. With the theoretical and experimental study of the proposed cycle, it is concluded that the GAX-PCS presents potential to compete technically in the Mexican air conditioning market. (author)
An Experimental and Theoretical Investigation of a Micromirror Under Mixed-Frequency Excitation

KAUST Repository

Ilyas, Saad; Ramini, Abdallah; Carreno, Armando Arpys Arevalo; Younis, Mohammad I.

2015-01-01

We present an experimental and theoretical investigation of a micromachined mirror under a mixed-frequency signal composed of two harmonic ac sources. The micromirror is made of polyimide as the main structural layer. The experimental and theoretical dynamics are explored via frequency sweeps in the desired neighborhoods. One frequency is fixed while the other frequency is swept through a wide range to study the dynamic responses. To simulate the behavior of the micromirror, it is modeled as a single degree of freedom system, where the parameters of the model are extracted experimentally. A good agreement is reported among the simulation results and the experimental data. These responses are studied under different frequencies and input voltages. The results show interesting dynamics, where the system exhibits primary resonance and combination resonances of additive and subtractive type. The mixed excitation is demonstrated as a way to increase the bandwidth of the resonator near primary resonance, which can be promising for resonant sensing applications in the effort to increase the signal-noise ratio over extended frequency range.
An Experimental and Theoretical Investigation of a Micromirror Under Mixed-Frequency Excitation

KAUST Repository

Ilyas, Saad

2015-01-12

We present an experimental and theoretical investigation of a micromachined mirror under a mixed-frequency signal composed of two harmonic ac sources. The micromirror is made of polyimide as the main structural layer. The experimental and theoretical dynamics are explored via frequency sweeps in the desired neighborhoods. One frequency is fixed while the other frequency is swept through a wide range to study the dynamic responses. To simulate the behavior of the micromirror, it is modeled as a single degree of freedom system, where the parameters of the model are extracted experimentally. A good agreement is reported among the simulation results and the experimental data. These responses are studied under different frequencies and input voltages. The results show interesting dynamics, where the system exhibits primary resonance and combination resonances of additive and subtractive type. The mixed excitation is demonstrated as a way to increase the bandwidth of the resonator near primary resonance, which can be promising for resonant sensing applications in the effort to increase the signal-noise ratio over extended frequency range.
Correction: Experimental and theoretical studies of nanofluid thermal conductivity enhancement: a review

Directory of Open Access Journals (Sweden)

Kleinstreuer Clement

2011-01-01

Full Text Available Abstract Correction to Kleinstreuer C, Feng Y: Experimental and theoretical studies of nanofluid thermal conductivity enhancement: a review. Nanoscale Research Letters 2011, 6:229.
A theoretical and experimental EPFM study of cracks emanating from a hole

International Nuclear Information System (INIS)

Broekhoven, M.J.G.

1978-01-01

Results are presented of a combined theoretical and experimental study on the onset of crack extension in the EPFM regime for through cracks emanating from a circular hole in a plate under tensile load, with emphasis on the applicability of the J-concept for predicting such extensions. This configuration was selected both because of its general importance and as a first approximation for a nozzle-to-vessel geometry. Theoretical investigations consisted of elastic-plastic finite element computations both for 3-point bend specimens and for plate geometry. J values were calculated using the contour-integral definition for J, and by the method of virtual crack extension. The applicability of simplified analytical approximations for J was also investigated. COD data were derived from finite element computed displacements. Experimental investigations included Jsub(Ic) tests on a series of bend specimens and crack extensions tests on a series of cracked perforated plate models. For practical reasons aluminium 2024-T 351 was selected as a suitable model material within the aims of the study. Onset of crack extension was determined by the heat-tinting procedure throughout the experiments, in some cases supplemented by fractographic investigations. The various theoretical solutions and experimental observations were compared and a number of conclusions were drawn. (author)
Experimental and theoretical study on forced convection film boiling heat transfer

International Nuclear Information System (INIS)

Liu, Qiusheng

2001-01-01

Theoretical solutions of forced convection film boiling heat transfer from horizontal cylinders in saturated liquids were obtained based on a two-phase laminar boundary layer film boiling model. It was clarified that author's experimental data for the cylinders with the nondimensional diameters, D, of around 1.3 in water and in Freon-113 agreed with the values of theoretical numerical solutions based on the two-phase laminar boundary layer model with the smooth vapor-liquid interface except those for low flow velocities. A forced convection film boiling heat transfer correlation including the radiation contribution from the cylinders with various diameters in saturated and subcooled liquids was developed based on the two-phase laminar boundary layer film boiling model and the experimental data for water and Freon-113 at wide ranges of flow velocities, surface superheats, system pressures and cylinder diameters. (author)
Theoretical and experimental studies on electric field and confinement in helical systems

International Nuclear Information System (INIS)

Sanuki, H.; Itoh, K.; Todoroki, J.; Ida, K.; Idei, H.; Iguchi, H.; Yamada, H.

1994-06-01

The present study consists of two parts. The first part is oriented to a theoretical model of selfconsistent analysis to determine simultaneously the electric field and loss cone boundary in heliotron/torsatron configurations under the influence of nonclassical particle losses. The second part is referred to the analysis on NBI heated and ECH plasmas in Compact Helical System (CHS) device. A comparison is made between theoretical results and experimental observations. (author)
Experimental and theoretical Compton profiles of Be, C and Al

Energy Technology Data Exchange (ETDEWEB)

Aguiar, Julio C., E-mail: jaguiar@arn.gob.a [Autoridad Regulatoria Nuclear, Av. Del Libertador 8250, C1429BNP, Buenos Aires (Argentina); Instituto de Fisica ' Arroyo Seco' , Facultad de Ciencias Exactas, U.N.C.P.B.A., Pinto 399, 7000 Tandil (Argentina); Di Rocco, Hector O. [Instituto de Fisica ' Arroyo Seco' , Facultad de Ciencias Exactas, U.N.C.P.B.A., Pinto 399, 7000 Tandil (Argentina); Arazi, Andres [Laboratorio TANDAR, Comision Nacional de Energia Atomica, Av. General Paz 1499, 1650 San Martin, Buenos Aires (Argentina)

2011-02-01

The results of Compton profile measurements, Fermi momentum determinations, and theoretical values obtained from a linear combination of Slater-type orbital (STO) for core electrons in beryllium; carbon and aluminium are presented. In addition, a Thomas-Fermi model is used to estimate the contribution of valence electrons to the Compton profile. Measurements were performed using monoenergetic photons of 59.54 keV provided by a low-intensity Am-241 {gamma}-ray source. Scattered photons were detected at 90{sup o} from the beam direction using a p-type coaxial high-purity germanium detector (HPGe). The experimental results are in good agreement with theoretical calculations.
Theoretical and experimental study of an energy-reinforced braking radiation photon beam

International Nuclear Information System (INIS)

Bertin, Pierre-Yves

1966-01-01

This research thesis reports the theoretical study of a photon beam raised towards high energies, its experimental implementation, the definition of a gamma spectrometry method which aimed at checking various hypotheses used in the beam theoretical study. After a presentation of the theory of phenomena of electron braking radiation, of materialisation of photons into positon-negaton pair, and of issues related to multiple Coulomb diffusion, the author reports the study of the different solutions which allow a photon beam to be obtained. A braking radiation of mono-kinetic electron has been used. This braking radiation is reinforced by absorption of low energy protons in a column of lithium hydride. The author describes how the beam is built up, and the experimental approach. He describes how raw data are processed to get rid of the influence of the multiple Coulomb diffusion and of the braking radiation. Experimental results are compared with those obtained by convolution of photon spectra and differential cross section

Experimental and theoretical assessment of flexural properties of hybrid natural fibre composites

DEFF Research Database (Denmark)

Raghavalu Thirumalai, Durai Prabhakaran; Toftegaard, Helmuth Langmaack; Markussen, Christen Malte

2014-01-01

The concept of hybridization of natural fibre composites with synthetic fibres is attracting increasing scientific attention. The present study addresses the flexural properties of hybrid flax/glass/epoxy composites to demonstrate the potential benefits of hybridization. The study covers both...... experimental and theoretical assessments. Composite laminates with different hybrid fibre mixing ratios and different layer configurations were manufactured, and their volumetric composition and flexural properties were measured. The relationship between volume fractions in the composites is shown to be well...... predicted as a function of the hybrid fibre mixing ratio. The flexural modulus of the composites is theoretically assessed by using micromechanical models and laminate theory. The model predictions are compared with the experimentally determined flexural properties. Both approaches show that the flexural...
Comparison of experimental and theoretical binding and transition energies in the actinide region

International Nuclear Information System (INIS)

Krause, M.O.; Nestor, C.W. Jr.

1977-01-01

The status of experimental and theoretical binding and transition energy determinations is reviewed extending the comparison between experiment and theory to encompass representative series of data for all actinides. This comprehensive comparison reveals areas where improvements may be indicated, showing whether theoretical treatments including all known contributions to the lowest order would be adequate in all instances. 45 references
Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials

Energy Technology Data Exchange (ETDEWEB)

Kay, Jeffrey J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Park, Samuel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kohl, Ian Thomas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Knepper, Robert [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Farrow, Darcie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Tappan, Alexander S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-09-01

In this work, shock-induced reactions in high explosives and their chemical mechanisms were investigated using state-of-the-art experimental and theoretical techniques. Experimentally, ultrafast shock interrogation (USI, an ultrafast interferometry technique) and ultrafast absorption spectroscopy were used to interrogate shock compression and initiation of reaction on the picosecond timescale. The experiments yielded important new data that appear to indicate reaction of high explosives on the timescale of tens of picoseconds in response to shock compression, potentially setting new upper limits on the timescale of reaction. Theoretically, chemical mechanisms of shock-induced reactions were investigated using density functional theory. The calculations generated important insights regarding the ability of several hypothesized mechanisms to account for shock-induced reactions in explosive materials. The results of this work constitute significant advances in our understanding of the fundamental chemical reaction mechanisms that control explosive sensitivity and initiation of detonation.
Mechanical properties of jennite: A theoretical and experimental study

Energy Technology Data Exchange (ETDEWEB)

Moon, Juhyuk, E-mail: juhyuk.moon@stonybrook.edu [Civil Engineering Program, Department of Mechanical Engineering, Stony Brook University, NY 11794 (United States); Yoon, Seyoon [School of Engineering, Kings College, University of Aberdeen, Aberdeen AB24 3UE (United Kingdom); Monteiro, Paulo J.M. [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)

2015-05-15

The objective of this study is to determine the mechanical properties of jennite. To date, several hypotheses have been proposed to predict the structural properties of jennite. For the first time as reported herein, the isothermal bulk modulus of jennite was measured experimentally. Synchrotron-based high-pressure x-ray diffraction experiments were performed to observe the variation of lattice parameters under pressure. First-principles calculations were applied to compare with the experimental results and predict additional structural properties. Accurately measured isothermal bulk modulus herein (K{sub 0} = 64(2) GPa) and the statistical assessment on experimental and theoretical results suggest reliable mechanical properties of shear and Young's modulus, Poisson's ratio, and elastic tensor coefficients. Determination of these fundamental structural properties is the first step toward greater understanding of calcium–silicate–hydrate, as well as provides a sound foundation for forthcoming atomic level simulations.
Experimental and theoretical IR study of methanol and ethanol converson over H-SAPO-34

NARCIS (Netherlands)

Hemelsoet, K.L.J.; Ghysels, A.; Mores, D.; De Wispelaere, K.; Van Speybroeck, V.; Weckhuysen, B.M.; Waroquier, M.

2011-01-01

Theoretical and experimental IR data are combined to gain insight into the methanol and ethanol conversion over an acidic H-SAPO-34 catalyst. The theoretical simulations use a large finite cluster and the initial physisorption energy of both alcohols is calculated. Dispersive contributions turn out
Ultrafast Gain Dynamics in Quantum Dot Amplifiers: Theoretical Analysis and Experimental Investigations

DEFF Research Database (Denmark)

Poel, Mike van der; Gehrig, Edeltraud; Hess, Ortwin

2005-01-01

Ultrafast gain dynamics in an optical amplifier with an active layer of self-organized quantum dots (QDs) emitting near 1.3$muhbox m$is characterized experimentally in a pump-probe experiment and modeled theoretically on the basis of QD Maxwell–Bloch equations. Experiment and theory are in good......$factor) is theoretically predicted and demonstrated in the experiments. The fundamental analysis reveals the underlying physical processes and indicates limitations to QD-based devices....
Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections

Energy Technology Data Exchange (ETDEWEB)

Barbosa, Alessandra Souza [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Varella, Márcio T. do N. [Instituto de Física, Universidade de São Paulo, Rua do Matão 1731, 05508-090 São Paulo, SP (Brazil); Sanchez, Sergio d’A.; Bettega, Márcio H. F., E-mail: bettega@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Ameixa, João; Limão-Vieira, Paulo; Ferreira da Silva, Filipe [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Blanco, Francisco [Departamento de Física Atómica, Molecular y Nuclear, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); and others

2016-08-28

In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR). The calculations with the SMCPP method were done in the static-exchange (SE) approximation, for energies above 12 eV, and in the static-exchange plus polarization approximation, for energies up to 12 eV. The calculations with the IAM-SCAR method covered energies up to 500 eV. The experimental differential cross sections were obtained in the high resolution electron energy loss spectrometer VG-SEELS 400, in Lisbon, for electron energies from 8.0 eV to 50 eV and angular range from 7{sup ∘} to 110{sup ∘}. From the present theoretical integral cross section (ICS) we discuss the low-energy shape-resonances present in chlorobenzene and compare our computed resonance spectra with available electron transmission spectroscopy data present in the literature. Since there is no other work in the literature reporting differential cross sections for this molecule, we compare our theoretical and experimental DCSs with experimental data available for the parent molecule benzene.
Experimental and theoretical study of the energy loss of C and O in Zn

Energy Technology Data Exchange (ETDEWEB)

Cantero, E. D.; Lantschner, G. H.; Arista, N. R. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina); Montanari, C. C.; Miraglia, J. E. [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Buenos Aires (Argentina); Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Behar, M.; Fadanelli, R. C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, Porto Alegre-RS (Brazil)

2011-07-15

We present a combined experimental-theoretical study of the energy loss of C and O ions in Zn in the energy range 50-1000 keV/amu. This contribution has a double purpose, experimental and theoretical. On the experimental side, we present stopping power measurements that fill a gap in the literature for these projectile-target combinations and cover an extended energy range, including the stopping maximum. On the theoretical side, we make a quantitative test on the applicability of various theoretical approaches to calculate the energy loss of heavy swift ions in solids. The description is performed using different models for valence and inner-shell electrons: a nonperturbative scattering calculation based on the transport cross section formalism to describe the Zn valence electron contribution, and two different models for the inner-shell contribution: the shellwise local plasma approximation (SLPA) and the convolution approximation for swift particles (CasP). The experimental results indicate that C is the limit for the applicability of the SLPA approach, which previously was successfully applied to projectiles from H to B. We find that this model clearly overestimates the stopping data for O ions. The origin of these discrepancies is related to the perturbative approximation involved in the SLPA. This shortcoming has been solved by using the nonperturbative CasP results to describe the inner-shell contribution, which yields a very good agreement with the experiments for both C and O ions.
Theoretical and Experimental Analysis of Formability of Explosive Welded Mg/Al Bimetallic Bars

Directory of Open Access Journals (Sweden)

Mróz S.

2017-06-01

Full Text Available The paper has presented the results of theoretical studies and experimental tests of the plastic deformation of Mg/Al bimetallic specimens. Theoretical studies were carried out using the Forge2011® computer program. Physical modeling, on the other hand, was performed using the Gleeble3800 simulator. Bimetallic bars of an outer diameter of 22.5 mm and a cladding layer thickness of 1.7 mm were obtained by the explosive welding method. Samples for formability tests, characterized by a diameter-to-length ratio of 1, were taken from the bars. The theoretical studies and experimental tests were carried out for the temperature range from 300 to 400°C and for different strain rates. Based on the obtained investigation results it has been found that the main parameters influencing the formability of Mg/Al bimetallic bars are strain rate than the process temperature.
Comparative experimental and theoretical investigations of the DM neutron moisture probe

DEFF Research Database (Denmark)

Ølgaard, Povl Lebeck; Haahr, Vagner

1967-01-01

Theoretical and experimental investigations of the Danish produced DM subsurface moisture probe have been carried out at the Research Establishment Risö, and the results obtained are presented in this paper. The DM probe contains an Am-Be fast neutron source and has a glass scintillator containing...
Mechanical Behaviour of 3D Multi-layer Braided Composites: Experimental, Numerical and Theoretical Study

Science.gov (United States)

Deng, Jian; Zhou, Guangming; Ji, Le; Wang, Xiaopei

2017-12-01

Mechanical properties and failure mechanisms of a newly designed 3D multi-layer braided composites are evaluated by experimental, numerical and theoretical studies. The microstructure of the composites is introduced. The unit cell technique is employed to address the periodic arrangement of the structure. The volume averaging method is used in theoretical solutions while FEM with reasonable periodic boundary conditions and meshing technique in numerical simulations. Experimental studies are also conducted to verify the feasibility of the proposed models. Predicted elastic properties agree well with the experimental data, indicating the feasibility of the proposed models. Numerical evaluation is more accurate than theoretical assessment. Deformations and stress distributions of the unit cell under tension shows displacement and traction continuity, guaranteeing the rationality of the applied periodic boundary conditions. Although compression and tension modulus are close, the compressive strength only reaches 70% of the tension strength. This indicates that the composites can be weakened in compressive loading. Additionally, by analysing the micrograph of fracture faces and strain-stress curves, a brittle failure mechanism is observed both in composites under tension and compression.
Theoretical and experimental determination of mass attenuation coefficients of lead-based ceramics and their comparison with simulation

Directory of Open Access Journals (Sweden)

Vejdani-Noghreiyan Alireza

2016-01-01

Full Text Available Mass attenuation coefficient of lead-based ceramics have been measured by experimental methods and compared with theoretical and Monte Carlo simulation results. Lead-based ceramics were prepared using mixed oxide method and the X-ray diffraction analysis was done to evaluate the crystal structure of the produced handmade ceramics. The experimental results show good agreement with theoretical and simulation results. However at two gamma ray energies, small differences between experimental and theoretical results have been observed. By adding other additives to ceramics and observing the changes in the shielding properties such as flexibility, one can synthesize and optimize ceramics as a neutron shield.
Theoretical and experimental determination of mechanical properties of superconducting composite wire

International Nuclear Information System (INIS)

Gray, W.H.; Sun, C.T.

1976-07-01

The mechanical properties of a composite superconducting (NbTi/Cu) wire are characterized in terms of the mechanical properties of each constituent material. For a particular composite superconducting wire, five elastic material constants were experimentally determined and theoretically calculated. Since the Poisson's ratios for the fiber and the matrix material were very close, there was essentially no (less than 1 percent) difference among all the theoretical predictions for any individual mechanical constant. Because of the expense and difficulty of producing elastic constant data of 0.1 percent accuracy, and therefore conclusively determining which theory is best, no further experiments were performed
Nonlinear dynamics of an electrically actuated mems device: Experimental and theoretical investigation

KAUST Repository

Ruzziconi, Laura

2013-11-15

This study deals with an experimental and theoretical investigation of an electrically actuated micro-electromechanical system (MEMS). The experimental nonlinear dynamics are explored via frequency sweeps in a neighborhood of the first symmetric natural frequency, at increasing values of electrodynamic excitation. Both the non-resonant branch, the resonant one, the jump between them, and the presence of a range of inevitable escape (dynamic pull-in) are observed. To simulate the experimental behavior, a single degree-offreedom spring mass model is derived, which is based on the information coming from the experimentation. Despite the apparent simplicity, the model is able to catch all the most relevant aspects of the device response. This occurs not only at low values of electrodynamic excitation, but also at higher ones. Nevertheless, the theoretical predictions are not completely fulfilled in some aspects. In particular, the range of existence of each attractor is smaller in practice than in the simulations. This is because, under realistic conditions, disturbances are inevitably encountered (e.g. discontinuous steps when performing the sweeping, approximations in the modeling, etc.) and give uncertainties to the operating initial conditions. A reliable prediction of the actual (and not only theoretical) response is essential in applications. To take disturbances into account, we develop a dynamical integrity analysis. Integrity profiles and integrity charts are performed. They are able to detect the parameter range where each branch can be reliably observed in practice and where, instead, becomes vulnerable. Moreover, depending on the magnitude of the expected disturbances, the integrity charts can serve as a design guideline, in order to effectively operate the device in safe condition, according to the desired outcome. Copyright © 2013 by ASME.
Nonlinear dynamics of an electrically actuated mems device: Experimental and theoretical investigation

KAUST Repository

Ruzziconi, Laura; Ramini, Abdallah H.; Younis, Mohammad I.; Lenci, Stefano

2013-01-01

This study deals with an experimental and theoretical investigation of an electrically actuated micro-electromechanical system (MEMS). The experimental nonlinear dynamics are explored via frequency sweeps in a neighborhood of the first symmetric natural frequency, at increasing values of electrodynamic excitation. Both the non-resonant branch, the resonant one, the jump between them, and the presence of a range of inevitable escape (dynamic pull-in) are observed. To simulate the experimental behavior, a single degree-offreedom spring mass model is derived, which is based on the information coming from the experimentation. Despite the apparent simplicity, the model is able to catch all the most relevant aspects of the device response. This occurs not only at low values of electrodynamic excitation, but also at higher ones. Nevertheless, the theoretical predictions are not completely fulfilled in some aspects. In particular, the range of existence of each attractor is smaller in practice than in the simulations. This is because, under realistic conditions, disturbances are inevitably encountered (e.g. discontinuous steps when performing the sweeping, approximations in the modeling, etc.) and give uncertainties to the operating initial conditions. A reliable prediction of the actual (and not only theoretical) response is essential in applications. To take disturbances into account, we develop a dynamical integrity analysis. Integrity profiles and integrity charts are performed. They are able to detect the parameter range where each branch can be reliably observed in practice and where, instead, becomes vulnerable. Moreover, depending on the magnitude of the expected disturbances, the integrity charts can serve as a design guideline, in order to effectively operate the device in safe condition, according to the desired outcome. Copyright © 2013 by ASME.
Electrochemistry of chlorogenic acid: experimental and theoretical studies

Energy Technology Data Exchange (ETDEWEB)

Namazian, Mansoor [Department of Chemistry, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)]. E-mail: namazian@yazduni.ac.ir; Zare, Hamid R. [Department of Chemistry, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

2005-08-10

Cyclic voltammetry, chronoamperometry and rotating disk electrode voltammetry as well as quantum chemical methods, are used for electrochemical study of chlorogenic acid, as an important biological molecule. The standard formal potential, diffusion coefficient, and heterogeneous electron transfer rate constant of chlorogenic acid in aqueous solution are investigated. Acidic dissociation constant of chlorogenic acid is also obtained. Quantum mechanical calculations on oxidation of chlorogenic acid in aqueous solution, using density functional theory are presented. The change of Gibbs free energy and entropy of oxidation of chlorogenic acid are calculated using thermochemistry calculations. The calculations in aqueous solution are carried out with the use of polarizable continuum solvation method. Theoretical standard electrode potential of chlorogenic acid is achieved to be 0.580 V versus standard calomel electrode (SCE) which is in agreement with the experimental value of 0.617 V obtained experimentally in this work. The difference is consistent with the values we previously reported for other quinone derivatives.
Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies

Science.gov (United States)

Valente, Marco A. G.; Teixeira, Deiver A.; Azevedo, David L.; Feliciano, Gustavo T.; Benedetti, Assis V.; Fugivara, Cecílio S.

2017-01-01

The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor. PMID:28620602
Experimental and theoretical study of particle transport in the TCV Tokamak

International Nuclear Information System (INIS)

Fable, E.

2009-06-01

The main scope of this thesis work is to compare theoretical models with experimental observations on particle transport in particular regimes of plasma operation from the Tokamak à Configuration Variable (TCV) located at CRPP–EPFL in Lausanne. We introduce the main topics in Tokamak fusion research and the challenging problems in the first Chapter. A particular attention is devoted to the modelling of heat and particle transport. In the second Chapter the experimental part is presented, including an overview of TCV capabilities, a brief review of the relevant diagnostic systems, and a discussion of the numerical tools used to analyze the experimental data. In addition, the numerical codes that are used to interpret the experimental data and to compare them with theoretical predictions are introduced. The third Chapter deals with the problem of understanding the mechanisms that regulate the transport of energy in TCV plasmas, in particular in the electron Internal Transport Barrier (eITB) scenario. A radial transport code, integrated with an external module for the calculation of the turbulence-induced transport coefficients, is employed to reproduce the experimental scenario and to understand the physics at play. It is shown how the sustainment of an improved confinement regime is linked to the presence of a reversed safety factor profile. The improvement of confinement in the eITB regime is visible in the energy channel and in the particle channel as well. The density profile shows strong correlation with the temperature profile and has a large local logarithmic gradient. This is an important result obtained from the TCV eITB scenario analysis and is presented in the fourth Chapter. In the same chapter we present the estimate of the particle diffusion and convection coefficients obtained from density transient experiments performed in the eITB scenario. The theoretical understanding of the strong correlation between density and temperature observed in the e
Experimental and theoretical evaluation of nanodiamonds as pH triggered drug carriers

KAUST Repository

Yan, Jingjing; Guo, Yong; Altawashi, Azza; Moosa, Basem; Lecommandoux, Sé bastien; Khashab, Niveen M.

2012-01-01

Nanodiamond (ND) and its derivatives have been widely used for drug, protein and gene delivery. Herein, experimental and theoretical methods have been combined to investigate the effect of pH on the delivery of doxorubicin (DOX) from fluorescein
Experimental and theoretical studies of 3-benzyloxy-2-nitropyridine

Science.gov (United States)

Sun, Wenting; Cui, Yu; Liu, Huimin; Zhao, Haitao; Zhang, Wenqin

2012-10-01

The structure of 3-benzyloxy-2-nitropyridine has been investigated both experimentally and theoretically. The X-ray crystallography results show that the nitro group is tilted out of the pyridine ring plane by 66.4(4)°, which is mainly attributed to the electron-electron repulsions of the lone pairs in O atom of the 3-benzyloxy moiety with O atom in nitro group. An interesting centrosymmetric π-stacking molecular pair has been found in the crystalline state, which results in the approximate coplanarity of the pyridine ring with the benzene ring. The calculated results show that the dihedral angle between the nitro group and pyridine ring from the X3LYP method is much closer to the experimental data than that from the M06-2X one. The existing two conformational isomers of 3-benzyloxy-2-nitropyridine with equal energy explain well the disorder of the nitro group at room temperature. In addition, the vibrational frequencies are also calculated by the X3LYP and M06-2X methods and compared with the experimental results. The prediction from the X3LYP method coincides with the locations of the experimental frequencies well.

Experimental and theoretical study of bound and quasibound states of Ce{sup -}

Energy Technology Data Exchange (ETDEWEB)

Walter, C. W.; Gibson, N. D.; Li, Y.-G.; Matyas, D. J.; Alton, R. M.; Lou, S. E.; Field, R. L. III; Hanstorp, D.; Pan, Lin; Beck, Donald R. [Department of Physics and Astronomy, Denison University, Granville, Ohio 43023 (United States); Department of Physics, University of Gothenburg, SE-412 96 Gothenburg (Sweden); Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States)

2011-09-15

The negative ion of cerium is investigated experimentally with tunable infrared laser photodetachment spectroscopy and theoretically with relativistic configuration interaction in the continuum formalism. The relative cross section for neutral atom production is measured with a crossed ion-beam-laser-beam apparatus over the photon energy range of 0.54-0.75 eV. A rich resonance spectrum is revealed near the threshold with, at least, 12 peaks observed due to transitions from bound states of Ce{sup -} to either bound or quasibound excited states of the negative ion. Theoretical calculations of the photodetachment cross sections enable identification of the transitions responsible for the measured peaks. Two of the peaks are due to electric dipole-allowed bound-bound transitions in Ce{sup -}, making cerium only the second atomic negative ion that has been demonstrated to support multiple bound states of opposite parity. In addition, combining the experimental data with the theoretical analysis determines the electron affinity of cerium to be 0.628(10) eV and the fine structure splitting of the ground state of Ce{sup -} ({sup 4} H{sub 7/2}-{sup 4} H{sub 9/2}) to be 0.097 75(4) eV.
An Electrically Actuated Microbeam-Based MEMS Device: Experimental and Theoretical Investigation

KAUST Repository

Ruzziconi, Laura

2017-11-03

The present paper deals with the dynamic behavior of a microelectromechanical systems (MEMS). The device consists of a clamped-clamped microbeam electrostatically and electrodynamically actuated. Our objective is to develop a theoretical analysis, which is able to describe and predict all the main relevant aspects of the experimental response. In the first part of the paper an extensive experimental investigation is conducted. The microbeam is perfectly straight. The first three experimental natural frequencies are identified and the nonlinear dynamics are explored at increasing values of electrodynamic excitation. Several backward and forward frequency sweeps are acquired. The nonlinear behavior is highlighted. The experimental data show the coexistence of the nonresonant and the resonant branch, which perform a bending toward higher frequencies values before undergoing jump or pull-in dynamics. This kind of bending is not particularly common in MEMS. In the second part of the paper, a theoretical single degree-of-freedom model is derived. The unknown parameters are extracted and settled via parametric identification. A single mode reduced-order model is considered, which is obtained via the Galerkin technique. To enhance the computational efficiency, the contribution of the electric force term is computed in advance and stored in a table. Extensive numerical simulations are performed at increasing values of electrodynamic excitation. They are observed to properly predict all the main nonlinear features arising in the device response. This occurs not only at low values of electrodynamic excitation, but also at higher ones
High-efficiency dielectric barrier Xe discharge lamp: theoretical and experimental investigations

International Nuclear Information System (INIS)

Beleznai, Sz; Mihajlik, G; Agod, A; Maros, I; Juhasz, R; Nemeth, Zs; Jakab, L; Richter, P

2006-01-01

A dielectric barrier Xe discharge lamp producing vacuum-ultraviolet radiation with high efficiency was investigated theoretically and experimentally. The cylindrical glass body of the lamp is equipped with thin strips of metal electrodes applied to diametrically opposite sides of the outer surface. We performed a simulation of discharge plasma properties based on one-dimensional fluid dynamics and also assessed the lamp characteristics experimentally. Simulation and experimental results are analysed and compared in terms of voltage and current characteristics, power input and discharge efficiency. Using the proposed lamp geometry and fast rise-time short square pulses of the driving voltage, an intrinsic discharge efficiency around 56% was predicted by simulation, and more than 60 lm W -1 lamp efficacy (for radiation converted into visible green light by phosphor coating) was demonstrated experimentally
Experimental and theoretical investigations of structural and optical properties of CIGS thin films

Energy Technology Data Exchange (ETDEWEB)

Chandramohan, M., E-mail: chandramohan59@yahoo.co.in [Department of Physics, Park college of Engineering and Tecknology, Coimbatore-641 659 (India); Velumani, S., E-mail: vels64@yahoo.com [Centro de Investigacion y de Estudios Avanzados del I.P.N.(CINVESTAV), Av. Instituto Politecnico Nacional 2508 Col. San Pedro Zacatenco 07360, Mexico D.F (Mexico); Venkatachalam, T., E-mail: atvenkatachalam@yahoo.com [Department of Physics, Coimbatore Institute of Technology, Coimbatore-14. India (India)

2010-10-25

Experimental and theoretical studies of the structural and optical properties of Copper Indium Gallium diSelenide thin films have been performed. Thin films of CIGS were deposited on glass substrates by chemical bath deposition. From the XRD results of the films, it is found that the films are of chalcopyrite type structure. The lattice parameter were determined as a = 5.72 A and c = 11.462 A. The optical properties of the thin films were carried out with the help of spectrophotometer. First principles density functional theory calculations of the band structure, density of states and effective masses of electrons and holes of the CIGS crystals have been done by computer simulations. The experimental data and theoretically calculated data have demonstrated good agreement.
Critical experiments carried out with a homogeneous plutonium solution. Experimental results. Theoretical interpretations

International Nuclear Information System (INIS)

Bouly, J.C.; Caizergues, R.; Deilgat, E.; Houelle, M.; Lecorche, P.

1967-01-01

This report groups together a series of experimental and theoretical studies on cylinders and plates of solution tried out at the Valduc Centre. a) Comparison of the theoretical and experimental results obtained on critical heights of solutions. b) Study of the effect of nitrogen, introduced in the form of the ion NO 3- , on the reactivity of fissile media. c) Study of the effect of 240 94 Pu on the reactivity of these media. d) Study of the influence of the dimensions of the inner cavity of annular cylinders, as well as of the influence of the moderator which may be introduced. Simple results were obtained which were easy to apply. An extrapolation to other geometries is made. (authors) [fr
Experimental and theoretical double differential cross sections for electron impact ionization of methane

Energy Technology Data Exchange (ETDEWEB)

Yavuz, Murat; Ozer, Zehra Nur, E-mail: zehraerengil@aku.edu.tr; Ulu, Melike; Dogan, Mevlut [e-COL Laboratory, Department of Physics, Afyon Kocatepe University, Afyonkarahisar 03200 (Turkey); Champion, Christophe [Centre d’Etudes Nucléaires de Bordeaux Gradignan, CNRS/IN2P3, Université de Bordeaux, Gradignan 33170 (France)

2016-04-28

Experimental and theoretical double differential cross sections (DDCSs) for electron-induced ionization of methane (CH{sub 4}) are here reported for primary energies ranging from 50 eV to 350 eV and ejection angles between 25° and 130°. Experimental DDCSs are compared with theoretical predictions performed within the first Born approximation Coulomb wave. In this model, the initial molecular state is described by using single center wave functions, the incident (scattered) electron being described by a plane wave, while a Coulomb wave function is used for modeling the secondary ejected electron. A fairly good agreement may be observed between theory and experiment with nevertheless an expected systematic overestimation of the theory at low-ejection energies (<50 eV).
The odderon: theoretical status and experimental tests

Energy Technology Data Exchange (ETDEWEB)

Ewerz, C. [Milano Univ., Dipt. di Fisica, and INFN (Italy); ECT, Trento (Italy)

2005-07-01

In QCD the odderon can be formed by 3 gluons in a symmetric color state. According to our understanding of high energy scattering based on the picture of gluon exchanges, the existence of the odderon is very likely. Surprisingly through, the experimental evidence for it is rather weak. Especially exclusive reactions that can be caused only by the odderon offer good chances to finally establish its existence. In perturbative QCD the odderon is under rather good control. It is already by itself a very interesting object from a theoretical point of view. It further is an important ingredient in effective theories of high energy scattering that are currently discussed. New insight into the behaviour of the non-perturbative odderon can be expected from lattice studies of glueball trajectories.
Thermoelectric Generation Of Current – Theoretical And Experimental Analysis

Directory of Open Access Journals (Sweden)

Ruciński Adam

2017-12-01

Full Text Available This paper provides some information about thermoelectric technology. Some new materials with improved figures of merit are presented. These materials in Peltier modules make it possible to generate electric current thanks to a temperature difference. The paper indicates possible applications of thermoelectric modules as interesting tools for using various waste heat sources. Some zero-dimensional equations describing the conditions of electric power generation are given. Also, operating parameters of Peltier modules, such as voltage and electric current, are analyzed. The paper shows chosen characteristics of power generation parameters. Then, an experimental stand for ongoing research and experimental measurements are described. The authors consider the resistance of a receiver placed in the electric circuit with thermoelectric elements. Finally, both the analysis of experimental results and conclusions drawn from theoretical findings are presented. Voltage generation of about 1.5 to 2.5 V for the temperature difference from 65 to 85 K was observed when a bismuth telluride thermoelectric couple (traditionally used in cooling technology was used.
Theoretical and experimental determination of K - and L -shell x-ray relaxation parameters in Ni

Science.gov (United States)

Guerra, M.; Sampaio, J. M.; Parente, F.; Indelicato, P.; Hönicke, P.; Müller, M.; Beckhoff, B.; Marques, J. P.; Santos, J. P.

2018-04-01

Fluorescence yields (FY) for the Ni K and L shells were determined by a theoretical and an experimental group within the framework of the International Initiative on X-ray Fundamental Parameters (FPs) collaboration. Coster-Kronig (CK) parameters were also measured for the L shell of Ni. Theoretical calculations of the same parameters were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental values for the FY and CK were determined at the PTB laboratory in the synchrotron radiation facility BESSY II, Berlin, Germany, and are compared to the corresponding calculated values.
Comparison of experimental and theoretical reaction rail currents, rail voltages, and airgap fields for the linear induction motor research vehicle

Science.gov (United States)

Elliott, D. G.

1977-01-01

Measurements of reaction rail currents, reaction rail voltages, and airgap magnetic fields in tests of the Linear Induction Motor Research Vehicle (LIMRV) were compared with theoretical calculations from the mesh/matrix theory. It was found that the rail currents and magnetic fields predicted by the theory are within 20 percent of the measured currents and fields at most motor locations in most of the runs, but differ by as much as a factor of two in some cases. The most consistent difference is a higher experimental than theoretical magnetic field near the entrance of the motor and a lower experimental than theoretical magnetic field near the exit. The observed differences between the theoretical and experimental magnetic fields and currents do not account for the differences of as much as 26 percent between the theoretical and experimental thrusts.
Studies of the tautomeric equilibrium of 1,3-thiazolidine-2-thione: Theoretical and experimental approaches

Energy Technology Data Exchange (ETDEWEB)

Abbehausen, Camilla; Paiva, Raphael E.F. de [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Formiga, Andre L.B., E-mail: formiga@iqm.unicamp.br [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Corbi, Pedro P. [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil)

2012-10-26

Highlights: Black-Right-Pointing-Pointer Tautomeric equilibrium in solution. Black-Right-Pointing-Pointer Spectroscopic and theoretical studies. Black-Right-Pointing-Pointer UV-Vis theoretical and experimental spectra. Black-Right-Pointing-Pointer {sup 1}H NMR theoretical and experimental spectra. -- Abstract: The tautomeric equilibrium of the thione/thiol forms of 1,3-thiazolidine-2-thione was studied by nuclear magnetic resonance, infrared and ultraviolet-visible spectroscopies. Density functional theory was used to support the experimental data and indicates the predominance of the thione tautomer in the solid state, being in agreement with previously reported crystallographic data. In solution, the tautomeric equilibrium was evaluated using {sup 1}H NMR at different temperatures in four deuterated solvents acetonitrile, dimethylsulfoxide, chloroform and methanol. The equilibrium constants, K = (thiol)/(thione), and free Gibbs energies were obtained by integration of N bonded hydrogen signals at each temperature for each solvent, excluding methanol. The endothermic tautomerization is entropy-driven and the combined effect of solvent and temperature can be used to achieve almost 50% thiol concentrations in solution. The nature of the electronic transitions was investigated theoretically and the assignment of the bands was made using time-dependent DFT as well as the influence of solvent on the energy of the most important bands of the spectra.
Physics of human cooperation: experimental evidence and theoretical models

Science.gov (United States)

Sánchez, Angel

2018-02-01

In recent years, many physicists have used evolutionary game theory combined with a complex systems perspective in an attempt to understand social phenomena and challenges. Prominent among such phenomena is the issue of the emergence and sustainability of cooperation in a networked world of selfish or self-focused individuals. The vast majority of research done by physicists on these questions is theoretical, and is almost always posed in terms of agent-based models. Unfortunately, more often than not such models ignore a number of facts that are well established experimentally, and are thus rendered irrelevant to actual social applications. I here summarize some of the facts that any realistic model should incorporate and take into account, discuss important aspects underlying the relation between theory and experiments, and discuss future directions for research based on the available experimental knowledge.
An Experimental and Theoretical Investigation of Micropiiting in Wind Turbine Gears and Bearings

Energy Technology Data Exchange (ETDEWEB)

Kahraman, Ahmet

2012-03-28

In this research study, the micro-pitting related contact failures of wind turbine gearbox components were investigated both experimentally and theoretically. On the experimental side, a twin-disk type test machine was used to simulate wind turbine transmission contacts in terms of their kinematic (rolling and sliding speeds), surface roughnesses, material parameters and lubricant conditions. A test matrix that represents the ranges of contact conditions of the wind turbine gear boxes was defined and executed to bring an empirical understanding to the micro-pitting problem in terms of key contact parameters and operating conditions. On the theoretical side, the first deterministic micro-pitting model based on a mixed elastohydrodynamic lubrication formulations and multi-axial near-surface crack initiation model was developed. This physics-based model includes actual instantaneous asperity contacts associated with real surface roughness profiles for predicting the onset of the micro-pit formation. The predictions from the theoretical model were compared to the experimental data for validation of the models. The close agreement between the model and measurements was demonstrated. With this, the proposed model can be deemed suitable for identifying the mechanisms leading to micro-pitting of gear and bearing surfaces of wind turbine gear boxes, including all key material, lubricant and surface engineering aspects of the problem, and providing solutions to these micro-pitting problems.
Uncertainties and understanding of experimental and theoretical results regarding reactions forming heavy and superheavy nuclei

Science.gov (United States)

Giardina, G.; Mandaglio, G.; Nasirov, A. K.; Anastasi, A.; Curciarello, F.; Fazio, G.

2018-02-01

Experimental and theoretical results of the PCN fusion probability of reactants in the entrance channel and the Wsur survival probability against fission at deexcitation of the compound nucleus formed in heavy-ion collisions are discussed. The theoretical results for a set of nuclear reactions leading to formation of compound nuclei (CNs) with the charge number Z = 102- 122 reveal a strong sensitivity of PCN to the characteristics of colliding nuclei in the entrance channel, dynamics of the reaction mechanism, and excitation energy of the system. We discuss the validity of assumptions and procedures for analysis of experimental data, and also the limits of validity of theoretical results obtained by the use of phenomenological models. The comparison of results obtained in many investigated reactions reveals serious limits of validity of the data analysis and calculation procedures.
Exploratory experimental and theoretical studies of cyclone gasification of wood powder

Energy Technology Data Exchange (ETDEWEB)

Fredriksson, Christian

1999-11-01

This thesis describes an exploratory experimental and theoretical study of gasification of wood powder in a cyclone gasifier. The generated gas could be used to operate a gas turbine in a combined cycle power plant. The objective has been to develop the understanding of cyclone gasification by experimental studies of the performance of a cyclone designed in principle as a separation cyclone and by comparisons between the experimental results and theoretical predictions. The experiments were carried out with commercial Swedish wood powder fuels, injected with air or steam/air mixture through two diametrically opposite tangential inlets and gasified at atmospheric pressure in cyclones of two different configurations with a volume of about 0.034 m{sup 3}. The studies show that stable gasification of this fuel can be obtained for a specific fuel feeding rate of about 5 MW/m{sup 3} cyclone volume for equivalence ratios above 0.15 and that the equivalence ratio had to be kept below about 0.4 in order to avoid material temperatures above 950 deg C. A cyclone with a short outlet pipe, designed as a conventional separation cyclone was found to give lower char conversion than a modified cyclone with a long outlet pipe. The heating value of the gas was found to be approximately 4.5 MJ/kg. The dust load in the product gas was measured to between 1000 and 2500 mg/Nm{sup 3}. It was possible to separate at least 40-60% of the potassium and 60-90% of the sodium supplied with the wood. The alkali that left the cyclone with the product gas appear to be in solid or melted phase in the unseparated char particles and consequently not vaporised during gasification. As the K and Na were assumed to remain within the particles during gasification, it was concluded that to reduce the amount of alkali metals in the product gas it would be necessary to improve the particle separation efficiency. The results of the theoretical modelling, using the existing models in the commercial software CFX
Experimental and NMR theoretical methodology applied to geometric analysis of the bioactive clerodane trans-dehydrocrotonin

Energy Technology Data Exchange (ETDEWEB)

Soares, Breno Almeida; Firme, Caio Lima, E-mail: firme.caio@gmail.com, E-mail: caiofirme@quimica.ufrn.br [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Instituto de Quimica; Maciel, Maria Aparecida Medeiros [Universidade Potiguar, Natal, RN (Brazil). Programa de Pos-graduacao em Biotecnologia; Kaiser, Carlos R. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Instituto de Quimica; Schilling, Eduardo; Bortoluzzi, Adailton J. [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Departamento de Quimica

2014-04-15

trans-Dehydrocrotonin (t-DCTN) a bioactive 19-nor-diterpenoid clerodane type isolated from Croton cajucara Benth, is one of the most investigated clerodane in the current literature. In this work, a new approach joining X-ray diffraction data, nuclear magnetic resonance (NMR) data and theoretical calculations was applied to the thorough characterization of t-DCTN. For that, the geometry of t-DCTN was reevaluated by X-ray diffraction as well as {sup 1}H and {sup 13}C NMR data, whose geometrical parameters where compared to those obtained from B3LYP/6-311G++(d,p) level of theory. From the evaluation of both calculated and experimental values of {sup 1}H and {sup 13}C NMR chemical shifts and spin-spin coupling constants, it was found very good correlations between theoretical and experimental magnetic properties of t-DCTN. Additionally, the delocalization indexes between hydrogen atoms correlated accurately with theoretical and experimental spin-spin coupling constants. An additional topological analysis from quantum theory of atoms in molecules (QTAIM) showed intramolecular interactions for t-DCTN. (author)
Experimental and NMR theoretical methodology applied to geometric analysis of the bioactive clerodane trans-dehydrocrotonin

International Nuclear Information System (INIS)

Soares, Breno Almeida; Firme, Caio Lima; Maciel, Maria Aparecida Medeiros; Kaiser, Carlos R.; Schilling, Eduardo; Bortoluzzi, Adailton J.

2014-01-01

trans-Dehydrocrotonin (t-DCTN) a bioactive 19-nor-diterpenoid clerodane type isolated from Croton cajucara Benth, is one of the most investigated clerodane in the current literature. In this work, a new approach joining X-ray diffraction data, nuclear magnetic resonance (NMR) data and theoretical calculations was applied to the thorough characterization of t-DCTN. For that, the geometry of t-DCTN was reevaluated by X-ray diffraction as well as 1 H and 13 C NMR data, whose geometrical parameters where compared to those obtained from B3LYP/6-311G++(d,p) level of theory. From the evaluation of both calculated and experimental values of 1 H and 13 C NMR chemical shifts and spin-spin coupling constants, it was found very good correlations between theoretical and experimental magnetic properties of t-DCTN. Additionally, the delocalization indexes between hydrogen atoms correlated accurately with theoretical and experimental spin-spin coupling constants. An additional topological analysis from quantum theory of atoms in molecules (QTAIM) showed intramolecular interactions for t-DCTN. (author)
Physics. Pt. 2. Atomic, molecular, and quantum physics - experimental and theoretical foundations

International Nuclear Information System (INIS)

Weber, R.

2007-01-01

The experimental and theoretical foundations of physics are mediated in this course in integrated representation. Many exercise problems deepen the understanding and help directedly in the preparation of clausures and examinations. The pictures are always in two colours. The present volume contains all themes of modern physics
Photoluminescence of crystalline and disordered BTO:Mn powder: Experimental and theoretical modeling

International Nuclear Information System (INIS)

Gurgel, M.F.C.; Espinosa, J.W.M.; Campos, A.B.; Rosa, I.L.V.; Joya, M.R.; Souza, A.G.; Zaghete, M.A.; Pizani, P.S.; Leite, E.R.; Varela, J.A.; Longo, E.

2007-01-01

Disordered and crystalline Mn-doped BaTiO 3 (BTO:Mn) powders were synthesized by the polymeric precursor method. After heat treatment, the nature of visible photoluminescence (PL) at room temperature in amorphous BTO:Mn was discussed, considering results of experimental and theoretical studies. X-ray diffraction (XRD), PL, and UV-vis were used to characterize this material. Rietveld refinement of the BTO:Mn from XRD data was used to built two models, which represent the crystalline BTO:Mn (BTO:Mn c ) and disordered BTO:Mn (BTO:Mn d ) structures. Theses models were analyzed by the periodic ab initio quantum mechanical calculations using the CRYSTAL98 package within the framework of density functional theory at the B3LYP level. The experimental and theoretical results indicated that PL is related with the degree of disorder in the BTO:Mn powders and also suggests the presence of localized states in the disordered structure
Theoretical study and experimental investigation of mixed and natural circulation in LMFBR core subassemblies

International Nuclear Information System (INIS)

Leteinturier, D.; Blanc, D.; Menant, B.; Basque, G.

1980-02-01

A presentation is made of theoretical and experimental studies carried out in France on mixed and natural convection in LMFBR wire wrapped bundles. Two codes are described, one for mixed convection THERNAT and the other for natural convection BACCHUS. THe related experimental program FETUNA, with electrically heated bundles in sodium loops, is also presented

Theoretical and Experimental Investigation of Particle Trapping via Acoustic Bubbles

Science.gov (United States)

Chen, Yun; Fang, Zecong; Merritt, Brett; Saadat-Moghaddam, Darius; Strack, Dillon; Xu, Jie; Lee, Sungyon

2014-11-01

One important application of lab-on-a-chip devices is the trapping and sorting of micro-objects, with acoustic bubbles emerging as an effective, non-contact method. Acoustically actuated bubbles are known to exert a secondary radiation force on micro-particles and trap them, when this radiation force exceeds the drag force that acts to keep the particles in motion. In this study, we theoretically evaluate the magnitudes of these two forces for varying actuation frequencies and voltages. In particular, the secondary radiation force is calculated directly from bubble oscillation shapes that have been experimentally measured for varying acoustic parameters. Finally, based on the force estimates, we predict the threshold voltage and frequency for trapping and compare them to the experimental results.
Comparison of experimental and theoretical binding and transition energies in the actinide region

Energy Technology Data Exchange (ETDEWEB)

Krause, M. O.; NESTOR, JR., C. W. [OAK RIDGE NATIONAL LAB., TENN. (USA)

1977-11-15

The present status of experimental and theoretical binding and transition energy determinations is reviewed. Experimental data and the most recent theoretical predictions are compared for the energies of K..cap alpha../sub 1/ X-rays, M series X-rays, K-LL Auger electrons, K, L/sub 3/, M and N levels, and the 4f spin-orbit splitting. In addition, the K..cap alpha../sub 1/ and L/sub 3/ data are fitted by Moseley-type diagrams, and data on the shallow levels and the valence bands of actinide oxides are discussed. Comparison shows that the single-particle Dirac-Fock theory and the inclusion of quantum-electrodynamic contributions predicts energies of the innermost levels generally within the accuracy of data, that is in the order of magnitude of 1 eV. However, in the N, O... shells large deviations do occur presumably due to strong many-electron interactions. The inclusion of many-electron effects in the relativistic theory remains a challenge, as do experimental investigations affording an accuracy of better than 1 eV for the various electronic levels.
Experimental and Theoretical Analysis of Headlight Surface Temperature in an Infrared Heated Stress Relieving Oven

Directory of Open Access Journals (Sweden)

Mustafa MUTLU

2016-04-01

Full Text Available In this study, the IR heated stress relieve oven was experimentally and theoretically examined. In experimental measurements, temperature was measured on headlight surface, placed in IR oven at various conveyor speeds and various distances between IR lamps and headlight surface. In theoretical study, a mathematical model was developed for the headlights surface temperature by using heat transfer theory. The results obtained by the mathematical model and the measurement showed very good agreement with a 6.5 % average error. It is shown that mathematical models can be used to estimate the surface temperatures when the oven is operated under different conditions.
Experimental, theoretical, and numerical studies of small scale combustion

Science.gov (United States)

Xu, Bo

Recently, the demand increased for the development of microdevices such as microsatellites, microaerial vehicles, micro reactors, and micro power generators. To meet those demands the biggest challenge is obtaining stable and complete combustion at relatively small scale. To gain a fundamental understanding of small scale combustion in this thesis, thermal and kinetic coupling between the gas phase and the structure at meso and micro scales were theoretically, experimentally, and numerically studied; new stabilization and instability phenomena were identified; and new theories for the dynamic mechanisms of small scale combustion were developed. The reduction of thermal inertia at small scale significantly reduces the response time of the wall and leads to a strong flame-wall coupling and extension of burning limits. Mesoscale flame propagation and extinction in small quartz tubes were theoretically, experimentally and numerically studied. It was found that wall-flame interaction in mesoscale combustion led to two different flame regimes, a heat-loss dominant fast flame regime and a wall-flame coupling slow flame regime. The nonlinear transition between the two flame regimes was strongly dependent on the channel width and flow velocity. It is concluded that the existence of multiple flame regimes is an inherent phenomenon in mesoscale combustion. In addition, all practical combustors have variable channel width in the direction of flame propagation. Quasi-steady and unsteady propagations of methane and propane-air premixed flames in a mesoscale divergent channel were investigated experimentally and theoretically. The emphasis was the impact of variable cross-section area and the flame-wall coupling on the flame transition between different regimes and the onset of flame instability. For the first time, spinning flames were experimentally observed for both lean and rich methane and propane-air mixtures in a broad range of equivalence ratios. An effective Lewis number
Experimental and theoretical study of Co sorption in clay montmorillonites

Science.gov (United States)

Gil Rebaza, A. V.; Montes, M. L.; Taylor, M. A.; Errico, L. A.; Alonso, R. E.

2018-03-01

Montmorillonite (MMT) clays are 2:1 layered structures which in natural state may allocate different hydrated cations such as M-nH2O (M = Na, Ca, Fe, etc) in its interlayer space. Depending on the capability for ion sorption, these materials are interesting for environmental remediation. In this work we experimentally study the Co sorption in a natural Na-MMT using UV-visible spectrometry and XRD on semi-oriented samples, and then analyze the sorption ability of this clay by means of ab initio calculation performed on pristine MMT. The structural properties of Na-MMT and Co-adsorbed MMT, and the hyperfine parameters at different atomic sites were analyzed and compared with the experimental ones for the first, and for the case of the hyperfine parameters, presented for the first time for the last. The theoretical predictions based on total energy considerations confirm that Co incorporation replacing Na is energetically favorable. Also, the basal spacing d001 experimentally obtained is well reproduced.
Theoretical and Experimental Research Performed on the Tesla Turbine - Part I

Directory of Open Access Journals (Sweden)

Dorian Nedelcu

2015-09-01

Full Text Available The paper presents the theoretical and experimental research performed on a Tesla turbine driven by compressed air and designed to equip a teaching laboratory [1], [2]. It introduces the operating principle of the Tesla turbine, which was invented by engineer Nikola Tesla, a turbine which uses discs instead of blades, mounted on a shaft at a small distance between them. The turbine geometry, results from stress and flow calculations performed on the turbine rotor and assembly, using the Simulation modules and SolidWorks Flow Simulation program are presented. After designing the turbine, it becomes the subject of experimental research to determine the curve of the speed depending on the pressure. Also, the experimental research focuses on the behaviour of the turbine from a dynamic point of view [3].
Exploring SiSn as a performance enhancing semiconductor: A theoretical and experimental approach

KAUST Repository

Hussain, Aftab M.

2014-12-14

We present a novel semiconducting alloy, silicon-tin (SiSn), as channel material for complementary metal oxide semiconductor (CMOS) circuit applications. The material has been studied theoretically using first principles analysis as well as experimentally by fabricating MOSFETs. Our study suggests that the alloy offers interesting possibilities in the realm of silicon band gap tuning. We have explored diffusion of tin (Sn) into the industry\\'s most widely used substrate, silicon (100), as it is the most cost effective, scalable and CMOS compatible way of obtaining SiSn. Our theoretical model predicts a higher mobility for p-channel SiSn MOSFETs, due to a lower effective mass of the holes, which has been experimentally validated using the fabricated MOSFETs. We report an increase of 13.6% in the average field effect hole mobility for SiSn devices compared to silicon control devices.
Experimental and theoretical studies of near-ground acoustic radiation propagation in the atmosphere

Science.gov (United States)

Belov, Vladimir V.; Burkatovskaya, Yuliya B.; Krasnenko, Nikolai P.; Rakov, Aleksandr S.; Rakov, Denis S.; Shamanaeva, Liudmila G.

2017-11-01

Results of experimental and theoretical studies of the process of near-ground propagation of monochromatic acoustic radiation on atmospheric paths from a source to a receiver taking into account the contribution of multiple scattering on fluctuations of atmospheric temperature and wind velocity, refraction of sound on the wind velocity and temperature gradients, and its reflection by the underlying surface for different models of the atmosphere depending the sound frequency, coefficient of reflection from the underlying surface, propagation distance, and source and receiver altitudes are presented. Calculations were performed by the Monte Carlo method using the local estimation algorithm by the computer program developed by the authors. Results of experimental investigations under controllable conditions are compared with theoretical estimates and results of analytical calculations for the Delany-Bazley impedance model. Satisfactory agreement of the data obtained confirms the correctness of the suggested computer program.
Experimental and Theoretical Investigations of the Solidification of Eutectic Al-Si Alloy

Science.gov (United States)

Sen, S.; Catalina, A. V.; Rose, M. Franklin (Technical Monitor)

2001-01-01

The eutectic alloys have a wide spectrum of applications due to their good castability and physical and mechanical properties. The interphase spacing resulting during solidification is an important microstructural feature that significantly influences the mechanical behavior of the material. Thus, knowledge of the evolution of the interphase spacing during solidification is necessary in order to properly design the solidification process and optimize the material properties. While the growth of regular eutectics is rather well understood, the irregular eutectics such as Al-Si or Fe-graphite exhibit undercoolings and lamellar spacings much larger than those theoretically predicted. Despite of a considerable amount of experimental and theoretical work a clear understanding of the true mechanism underlying the spacing selection in irregular eutectics is yet to be achieved. A new experimental study of the solidification of the eutectic Al-Si alloy will be reported in this paper. The measured interface undercoolings and lamellar spacing will be compared to those found in the literature in order to get more general information regarding the growth mechanism of irregular eutectics. A modification of the present theory of the eutectic growth is also proposed. The results of the modified mathematical model, accounting for a non-isothermal solid/liquid interface, will be compared to the experimental measurements.
A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies

DEFF Research Database (Denmark)

Jalkanen, Karl J.; Gale, J.D.; Lassen, Peter Rygaard

2008-01-01

In this work we present the experimental and theoretical vibrational absorption (VA) and the theoretical vibrational circular dichroism (VCD) spectra for aframodial. In addition, we present the theoretical VA and VCD spectra for the diasteriomers of aframodial. Aframodial has four chiral centers ...
Theoretical and experimental study of resonant inelastic X-ray scattering for NiO

International Nuclear Information System (INIS)

Kotani, A.; Matsubara, M.; Uozumi, T.; Ghiringhelli, G.; Fracassi, F.; Dallera, C.; Tagliaferri, A.; Brookes, N.B.; Braicovich, L.

2006-01-01

Resonant inelastic X-ray scattering (RIXS) spectra for Ni 2p to 3d excitation and 3d to 2p de-excitation of NiO are studied both theoretically and experimentally. Theoretical calculations with a single impurity Anderson model (SIAM) describe the charge transfer (CT) and d-d excitations in RIXS, and detailed study is made for the CT energy. High resolution RIXS measurements reveal the precise d-d excitation structure and its polarization dependence, and they are well reproduced by the SIAM calculation
The formation and quenching of positronium in solution: some theoretical and experimental studies

International Nuclear Information System (INIS)

Beling, C.D.

1981-05-01

Reviews are made of the present theoretical knowledge of the formation and quenching of positronium in solution. Formation is described on both the Ore model and the spur model. Quenching via pickoff and chemical processes is considered. The uncertainties that are presently found in the theoretical modelling are considered. Experimentally the positron lifetime technique is used in which positrons are emitted from a vitrified 22 Na source. The lifetime spectrum is obtained conventionally and is analysed by a modified form of the program POSITRONFIT EXTENDED. (author)
A theoretical-experimental study of backup bearings

DEFF Research Database (Denmark)

Lampe Linhares da Fonseca, Cesar Augusto

of two types of backup bearings, which are investigated experimentally and theoretically. The first type is a conventional ball bearing commonly used in industrial applications. The second is an unconventional bearing that, which contains pins inside the clearance for the rotor to impact on. The main...... both types of bearings for further investigation. Also, a full failure of the control and a rotor drop on the ball bearing as backup bearing is investigated by removing the magnetic forces. The nonlinear features of the dynamics of the rotor are assessed for different levels of unbalance. It has been...... radial forces. Remaining in this condition, it may lead to permanent damage or total failure of the machine. This is why the backup bearing design has to be carefully planned and investigated as to whether it helps to protect the integrity of the machine. This PhD thesis provides a comprehensive study...
Adsorption of uranium composites onto saltrock oxides - experimental and theoretical study.

Science.gov (United States)

Ivanova, Bojidarka; Spiteller, Michael

2014-09-01

The study encompassed experimental mass spectrometric and theoretical quantum chemical studies on adsorption of uranium species in different oxidation states of the metal ion, and oxides of UxOy(n+) type, where x = 1 or 3, y = 2 or 8, and n = 0, 1 or 2 onto nanosize-particles of saltrock oxides MO (M = Mg(II), Ca(II), Ni(II), Co(II), Sr(II) or Ba(II)), M2Oy (M = Au(III) or Ag(I), y = 3 or 1) silicates 3Al2O3.2SiO2, natural kaolinite (Al2O2·2SiO2·2H2O), illite (K0.78Ca0.02Na0.02(Mg0.34Al1.69Fe(III)0.02)[Si3.35Al0.65]O10(OH)2·nH2O), CaSiO3, 3MgO·4SiO2,H2O, and M(1)M(2)(SiO4)X2 (M(1) = M(2) = Al or M(1) = K, M(2) = Al, X = F or Cl), respectively. The UV-MALDI-Orbitrap mass spectrometry was utilized in solid-state and semi-liquid colloidal state, involving the laser ablation at λex = 337.2 nm. The theoretical modeling and experimental design was based on chemical-, physico-chemical, physical and biological processes involving uranium species under environmental conditions. Therefore, the results reported are crucial for quality control and monitoring programs for assessment of radionuclide migration. They impact significantly the methodology for evaluation of human health risk from radioactive contamination. The study has importance for understanding the coordination and red-ox chemistry of uranium compounds as well. Due to the double nature of uranium between rare element and superconductivity like materials as well as variety of oxidation states ∈ (+1)-(+6), the there remain challenging areas for theoretical and experimental research, which are of significant importance for management of nuclear fuel cycles and waste storage. Copyright © 2014 Elsevier Ltd. All rights reserved.
A Combined Theoretical and Experimental Study for Silver Electroplating

Science.gov (United States)

Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong

2014-01-01

A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region.
A Combined Theoretical and Experimental Study for Silver Electroplating

Science.gov (United States)

Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong

2014-01-01

A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region. PMID:24452389
Theoretical and Experimental Investigation of the Nonlinear Behavior of an Electrostatically Actuated In-Plane MEMS Arch

KAUST Repository

Ramini, Abdallah; Al Hennawi, Qais M.; Younis, Mohammad I.

2016-01-01

We present theoretical and experimental investigation of the nonlinear behavior of a clamped-clamped in-plane MEMS arch when excited by a DC electrostatic load superimposed to an AC harmonic load. Experimentally, a case study of in-plane silicon
Theoretical and experimental study of modes associated to ion cyclotron heating on TFR

International Nuclear Information System (INIS)

Pignol, L.

1985-05-01

In this work, the ion cyclotron wave evolution is followed thanks to a coherent scattering device using carbon dioxide laser radiation. A theoretical part presents the dispersion equation that obey the waves excited in the plasma by antenna emitting ion cyclotron frequency. Then measurements given by the diagnostic are given. Fast and slow waves evidenced theoretically, are experimentally observed. Two simple theoretical models allow to extract physical quantities characteristics of the two modes. These two modes are followed along the radial coordinate of the tore and their behavior through the hybrid curve is studied. measured spectra shape is shown to confirm the described numerical code validity. Time study of the slow wave shows of internal relaxation phenomenon of plasma [fr
Mass and Position Determination in MEMS Resonant Mass Sensors: Theoretical and Experimental Investigation

KAUST Repository

Bouchaala, Adam M.

2016-12-05

We present a method to determine accurately the position and mass of an entity attached to the surface of an electrostatically actuated clamped-clamped microbeam implemented as a mass sensor. In the theoretical investigation, the microbeam is modeled as a nonlinear Euler-Bernoulli beam and a perturbation technique is used to develop a closed-form expression for the frequency shift due to an added mass at a specific location on the microbeam surface. The experimental investigation was conducted on a microbeam made of Polyimide with a special lower electrode to excite both of the first and second modes of vibration. Using an ink-jet printer, we deposited droplets of polymers with a defined mass and position on the surface of the microbeam and we measured the shifts in its resonance frequencies. The theoretical predictions of the mass and position of the deposited droplets match well with the experimental measurements.
Mass and Position Determination in MEMS Resonant Mass Sensors: Theoretical and Experimental Investigation

KAUST Repository

Bouchaala, Adam M.; Nayfeh, Ali H.; Jaber, Nizar; Younis, Mohammad I.

2016-01-01

We present a method to determine accurately the position and mass of an entity attached to the surface of an electrostatically actuated clamped-clamped microbeam implemented as a mass sensor. In the theoretical investigation, the microbeam is modeled as a nonlinear Euler-Bernoulli beam and a perturbation technique is used to develop a closed-form expression for the frequency shift due to an added mass at a specific location on the microbeam surface. The experimental investigation was conducted on a microbeam made of Polyimide with a special lower electrode to excite both of the first and second modes of vibration. Using an ink-jet printer, we deposited droplets of polymers with a defined mass and position on the surface of the microbeam and we measured the shifts in its resonance frequencies. The theoretical predictions of the mass and position of the deposited droplets match well with the experimental measurements.

Nonlinear optical properties of chiral polyesters: a joint experimental and theoretical study

Science.gov (United States)

Biju, Philip; Sreekumar, K.

2003-10-01

A series of polyesters containing donor-acceptor π-conjugated polar segments (4,4'-azobenzene dicarbonyl chloride) and chiral building units [L(+)-diethyl tartrate] in the main chain were synthesized and characterized by spectroscopic (IR, UV-Vis, 1H NMR, 13C NMR), thermal (TG/DTG, DSC), and optical (refractive index, optical rotation techniques). Chiral order was induced with a preferred helical sense to attain noncentrosymmetric ordering of dipoles (polar order) in macroscopic dimensions by chemical synthesis (chemical poling). A comprehensive attempt has been made to correlate the polar order of the polymer chains with the chiral order arising out of a preferred helical sense of the chains. This has been achieved by adopting four different theoretical models and comparing the results with the experimentally observed values of the second order polarizability tensor β. The models used are (1) Logarithmic Law of Mixing (LLM), (2) the Extended Boundary Condition Method (EBCM), (3) The Random Field Ising Model (RFIM) and (4) Semiempirical Computational Model (SCM). The results of the theoretical predictions are compared with the experimentally determined values of β.
Gravitational Waves from Coalescing Binary Black Holes: Theoretical and Experimental Challenges

CERN Multimedia

CERN. Geneva

2010-01-01

(LIGO/VIRGO/GEO/...) is currently taking data near its planned sensitivity. Coalescing black hole binaries are among the most promising, and most exciting, gravitational wave sources for these detectors. The talk will review the theoretical and experimental challenges that must be met in order to successfully detect gravitational waves from coalescing black hole binaries, and to be able to reliably measure the physical parameters of the source (masses, spins, ...).
Theoretical and Experimental Investigation of the Nonlinear Behavior of an Electrostatically Actuated In-Plane MEMS Arch

KAUST Repository

Ramini, Abdallah

2016-05-02

We present theoretical and experimental investigation of the nonlinear behavior of a clamped-clamped in-plane MEMS arch when excited by a DC electrostatic load superimposed to an AC harmonic load. Experimentally, a case study of in-plane silicon micromachined arch is examined and its mechanical behavior is measured using optical techniques. An algorithm is developed to extract the various parameters, such as the induced axial force and the initial rise, needed to model the behavior of the arch. A softening spring behavior is observed when the excitation is close to the first resonance frequency due to the quadratic nonlinearity coming from the arch geometry and the electrostatic force. Also, a hardening spring behavior is observed when the excitation is close to the third (second symmetric) resonance frequency due to the cubic nonlinearity coming from mid-plane stretching. Dynamic snap-through behavior is also reported for larger range of electric loads. Theoretically, a multi-mode Galerkin reduced order model is utilized to simulate the arch behavior. General agreement is reported among the theoretical and experimental data.
Falling chains as variable-mass systems: theoretical model and experimental analysis

International Nuclear Information System (INIS)

De Sousa, Célia A; Costa, Pedro; Gordo, Paulo M

2012-01-01

In this paper, we revisit, theoretically and experimentally, the fall of a folded U-chain and of a pile-chain. The model calculation implies the division of the whole system into two subsystems of variable mass, allowing us to explore the role of tensional contact forces at the boundary of the subsystems. This justifies, for instance, that the folded U-chain falls faster than the acceleration due to the gravitational force. This result, which matches quite well with the experimental data independently of the type of chain, implies that the falling chain is well described by energy conservation. We verify that these conclusions are not observed for the pile-chain motion. (paper)
THEORETICAL AND EXPERIMENTAL ASPECTS OF PLASTIC DEFORMATION AND DESTRUCTION OF ROCKS

Directory of Open Access Journals (Sweden)

A. V. Zhabko

2018-03-01

Full Text Available The urgency of the problem. The main process in mining is the process of destruction of rocks, so the establishment of laws and criteria for plastic deformation and destruction of rocks is the most important and fundamental object. Purpose of the work. The work is devoted to the establishment of laws of plastic deformation of rocks (solids. Methods of research. Analytical and experimental research methods are widely used in this work. Results. On the basis of the earlier studies, which were carried out by the author, the functions of the yield surface and the plastic potential are proposed. The limiting surface for these functions is the surface of the ultimate strength of solids (rocks, described by the Coulomb criterion. The author indicated the fundamental similarity between the proposed criterion of plastic deformation and rock strength with the Mora criterion and with the dry friction law of Amonton. The possibility of applying the proposed criterion as passport dependence is demonstrated. The characteristics of rock strength for shear adhesion and the angle of internal friction act as the parameters of this dependence. The paper provides comparison of the proposed theoretical criterion of plasticity and strength to the experimental data under the conditions of the three-dimensional stress state. The detailed analysis of this comparison between theoretical and experimental data is given, the corresponding conclusions are drawn. An analytical dependence was derived on the basis of the stability criterion obtained earlier by the author. It determines the value of the fundamental parameter of the hierarchy during shear and discontinuous destruction of mountain ranges. The relationship of this parameter hierarchy with the so-called number of Phidias, which determines the “Golden ratio”, is indicated. The dependence for calculation of a large-scale factor of the phenomenon of zonal disintegration of rocks around mine workings is offered. The
Theoretical and experimental studies of elementary physics

International Nuclear Information System (INIS)

Bodek, A.; Ferbel, T.; Melissinos, A.C.; Slattery, P.; Tipton, P.; Das, A.; Hagen, C.R.; Rajeev, S.G.; Okubo, S.; Orr, L.

1993-01-01

The various components of the high-energy physics research program at the University of Rochester are presented. (I)Fixed-target experimentation at FNAL includes studies of direct photon production by p and π on H, Be, and Cu, and hybrid mesons and other physics issues in Coulomb excitation at high energies. (II)The status of the GEM (Gammas, Electrons, and Muons) Experiment at the SSC is given. (III)The D-Zero experiment at FNAL is reviewed. (IV)Deep inelastic lepton--nucleon scattering experiments are summarized: electron scattering experiments at SLAC, FNAL neutrino quad triplet runs, FNAL neutrino sign selected experiments, and SDC cosmic ray test and test beam calibration. (V)Studies of nonlinear QED at SLAC concentrated on a study of QED at critical field strength in intense laser--high-energy electron collisions. (VI)Development work on the Collider Detector at Fermilab (CDF) emphasized the CDF silicon vertex detector, the end plug calorimeter, and the SDC tile/fiber calorimetry. (VII)The theoretical physics effort is sketched
Preface to special issue of selected papers from Theoretical, Experimental, and Computational Mechanics (TECM)

DEFF Research Database (Denmark)

Jabbari, Masoud; Sarlak Chivaee, Hamid; Hattel, Jesper Henri

2017-01-01

We are pleased to introduce this special issue of the Applied Mathematical Modelling journal with highlights from theTheoretical, Experimental, and Computational Mechanics Symposium (TECM-2015). This special issue consists of four rigorouslyselected papers originally presented at TECM-2015...... as a part of the 13th International Conference of Numerical Analysisand Applied Mathematics 2015 (ICNAAM 2015), which was held on 23-29 September 2015 in Rhodes, Greece.The symposium attracted a broad range of international and local leaders in theoretical, experimental, and computational mechanics across...... various fields and application. The symposium did an excellent job of outlining the current landscape of computational mechanics and its capabilities in solving complex industrial problems in the process industries, and we agree with the editor-in-chief of the journal that it is certainly worthwhile...
Experimental and theoretical evaluation of the performance of a tar solar water heater

International Nuclear Information System (INIS)

Ammari, H.D.; Nimir, Y.L.

2003-01-01

The paper presents an experimental and theoretical evaluation of the performance of a tar solar water heater and comparison with that of a conventional type collector. The performance of both collectors is assessed under the same conditions. Both of the collectors have the same surface area and are glazed. The conventional type has the water tubes welded to the absorber plate, whereas in the tar type, the tar acts as an absorber plate that covers the water tubes. The theoretical model for each collector type, with the transient effects taken into account, is based on a control volume and a time base in the related energy equations. By considering a small element of the collector in each case, three partial differential equations were developed for each collector and were solved numerically by the Runge-Kutta method of the fifth order. A good agreement was achieved between the numerical and experimental results for both the conventional and tar collectors, indicating the feasibility of employing the theoretical model in the design of flat plate solar collectors. The results also showed that the conventional collector is more efficient than the tar type during most of the daylight, but the tar collector had the added advantage of better conservation of energy in late afternoon and evening
Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria)

Science.gov (United States)

Kupka, Teobald; Wieczorek, Piotr P.

2016-01-01

In this article we report results of combined theoretical and experimental NMR studies on muscimol, the bioactive alkaloid from fly agaric mushroom (Amanita muscaria). The assignment of 1H and 13C NMR spectra of muscimol in DMSO-d6 was supported by additional two-dimensional heteronuclear correlated spectra (2D NMR) and gauge independent atomic orbital (GIAO) NMR calculations using density functional theory (DFT). The effect of solvent in theoretical calculations was included via polarized continuum model (PCM) and the hybrid three-parameter B3LYP density functional in combination with 6-311++G(3df,2pd) basis set enabled calculation of reliable structures of non-ionized (neutral) molecule and its NH and zwitterionic forms in the gas phase, chloroform, DMSO and water. GIAO NMR calculations, using equilibrium and rovibrationally averaged geometry, at B3LYP/6-31G* and B3LYP/aug-cc-pVTZ-J levels of theory provided muscimol nuclear magnetic shieldings. The theoretical proton and carbon chemical shifts were critically compared with experimental NMR spectra measured in DMSO. Our results provide useful information on its structure in solution. We believe that such data could improve the understanding of basic features of muscimol at atomistic level and provide another tool in studies related to GABA analogs.
Experimental and theoretical study on natural circulation capacity under rolling motion condition

International Nuclear Information System (INIS)

Tan Sichao; Gao Puzhen

2007-01-01

Effect of rolling motion on natural circulation capacity was studied experimentally and theoretically. Experiments were conducted under the conditions of rolling and unrolling motions. The experimental results show that natural circulation capacity decreases under rolling motion condition. A mathematic model was developed to calculate the natural circulation capacity under rolling motion condition, considering the characteristics of natural circulation, the model was modified. The calculated results agree with experimental data well. Effect of rolling motion on natural circulation was analyzed through calculation and the following conclusions were obtained: (1) The increase of flow resistance coefficient is the main reason that the natural circulation capacity decreases under rolling motion condition; (2) Non-uniform distribution of fluid mass in the pipe has also influence on natural circulation capacity. (author)
Theoretical and experimental investigations of a thermoplastic constitutive law

Science.gov (United States)

Zdebel, U.

1984-12-01

A thermoplastic constitutive law allowing combinations of isotropic and kinematic hardening as well as deviations from the normality rule was examined. Since the energy balance for thermomechanical processes is taken into account, the consistent connection to thermodynamic laws is guaranteed. The experimental verification of material parameters is described; it is performed by isothermal tension-torsion tests on thin-walled tubes at different temperatures. The materials functions allow the extension to nonisothermal (adiabatic) processes. The comparison between theoretical and exprimental results is not entirely satisfactory and demonstrates the remaining inconsistencies. Suggestions which could lead to a better description of the behavior of elastoplastic materials are made.
Comparisons Between Experimental and Semi-theoretical Cutting Forces of CCS Disc Cutters

Science.gov (United States)

Xia, Yimin; Guo, Ben; Tan, Qing; Zhang, Xuhui; Lan, Hao; Ji, Zhiyong

2018-05-01

This paper focuses on comparisons between the experimental and semi-theoretical forces of CCS disc cutters acting on different rocks. The experimental forces obtained from LCM tests were used to evaluate the prediction accuracy of a semi-theoretical CSM model. The results show that the CSM model reliably predicts the normal forces acting on red sandstone and granite, but underestimates the normal forces acting on marble. Some additional LCM test data from the literature were collected to further explore the ability of the CSM model to predict the normal forces acting on rocks of different strengths. The CSM model underestimates the normal forces acting on soft rocks, semi-hard rocks and hard rocks by approximately 38, 38 and 10%, respectively, but very accurately predicts those acting on very hard and extremely hard rocks. A calibration factor is introduced to modify the normal forces estimated by the CSM model. The overall trend of the calibration factor is characterized by an exponential decrease with increasing rock uniaxial compressive strength. The mean fitting ratios between the normal forces estimated by the modified CSM model and the experimental normal forces acting on soft rocks, semi-hard rocks and hard rocks are 1.076, 0.879 and 1.013, respectively. The results indicate that the prediction accuracy and the reliability of the CSM model have been improved.
Hydrodynamic Instability and Dynamic Burnout in Natural Circulation Two-Phase Flow. An Experimental and Theoretical Study

Energy Technology Data Exchange (ETDEWEB)

Becker, Kurt M; Jahnberg, S; Haga, I; Hansson, P T; Mathisen, R P

1964-09-15

A theoretical model for predicting the threshold of instability for two phase flow in a natural circulation loop is presented. The model calculates the flow transient caused by a step disturbance of the heat input, and is based upon the conservation laws of mass, momentum and energy in one dimensional form. Empirical correlations are used in the model for estimating the void fractions and the two-phase flow pressure drops. The equations are solved numerically in a finite difference approximation coded for a digital computer. An experimental study of the hydrodynamic instability and dynamic burnout in two-phase flow has been performed in a natural circulation loop in the pressure range from 10 to 70 atg. The test sections were round ducts of 20, 30 and 36 mm inner diameter and 4890 mm heated length. The experimental results showed that within the ranges tested, the stability of the flow increases with increasing pressure and increasing throttling before the test section, but decreases with increasing Inlet subcooling and increasing throttling after the test section. Comparing the natural circulation burnout steam qualities with corresponding forced circulation data shoved that the former data were low by a factor up to 2.5. However, by applying inlet throttling of the flow the burnout values approached and finally coincided with the forced circulation data. The present experimental results as well as data available from other sources have been compared with the stability thresholds obtained with the theoretical model. The comparisons included circular, annular and rod cluster geometries, and the agreement between the experimental and theoretical stability limits was good. Finally the application of the experimental and theoretical results on the assessment of boiling heavy water reactor design is discussed.
Hydrodynamic Instability and Dynamic Burnout in Natural Circulation Two-Phase Flow. An Experimental and Theoretical Study

International Nuclear Information System (INIS)

Becker, Kurt M.; Jahnberg, S.; Haga, I.; Hansson, P.T.; Mathisen, R.P.

1964-09-01

A theoretical model for predicting the threshold of instability for two phase flow in a natural circulation loop is presented. The model calculates the flow transient caused by a step disturbance of the heat input, and is based upon the conservation laws of mass, momentum and energy in one dimensional form. Empirical correlations are used in the model for estimating the void fractions and the two-phase flow pressure drops. The equations are solved numerically in a finite difference approximation coded for a digital computer. An experimental study of the hydrodynamic instability and dynamic burnout in two-phase flow has been performed in a natural circulation loop in the pressure range from 10 to 70 atg. The test sections were round ducts of 20, 30 and 36 mm inner diameter and 4890 mm heated length. The experimental results showed that within the ranges tested, the stability of the flow increases with increasing pressure and increasing throttling before the test section, but decreases with increasing Inlet subcooling and increasing throttling after the test section. Comparing the natural circulation burnout steam qualities with corresponding forced circulation data shoved that the former data were low by a factor up to 2.5. However, by applying inlet throttling of the flow the burnout values approached and finally coincided with the forced circulation data. The present experimental results as well as data available from other sources have been compared with the stability thresholds obtained with the theoretical model. The comparisons included circular, annular and rod cluster geometries, and the agreement between the experimental and theoretical stability limits was good. Finally the application of the experimental and theoretical results on the assessment of boiling heavy water reactor design is discussed
Forming Limits in Sheet Metal Forming for Non-Proportional Loading Conditions - Experimental and Theoretical Approach

International Nuclear Information System (INIS)

Ofenheimer, Aldo; Buchmayr, Bruno; Kolleck, Ralf; Merklein, Marion

2005-01-01

The influence of strain paths (loading history) on material formability is well known in sheet forming processes. Sophisticated experimental methods are used to determine the entire shape of strain paths of forming limits for aluminum AA6016-T4 alloy. Forming limits for sheet metal in as-received condition as well as for different pre-deformation are presented. A theoretical approach based on Arrieux's intrinsic Forming Limit Stress Curve (FLSC) concept is employed to numerically predict the influence of loading history on forming severity. The detailed experimental strain paths are used in the theoretical study instead of any linear or bilinear simplified loading histories to demonstrate the predictive quality of forming limits in the state of stress
Kinetic Adsorption Study of Silver Nanoparticles on Natural Zeolite: Experimental and Theoretical Models

Directory of Open Access Journals (Sweden)

Alvaro Ruíz-Baltazar

2015-12-01

Full Text Available In this research, the adsorption capacity of Ag nanoparticles on natural zeolite from Oaxaca is presented. In order to describe the adsorption mechanism of silver nanoparticles on zeolite, experimental adsorption models for Ag ions and Ag nanoparticles were carried out. These experimental data obtained by the atomic absorption spectrophotometry technique were compared with theoretical models such as Lagergren first-order, pseudo-second-order, Elovich, and intraparticle diffusion. Correlation factors R2 of the order of 0.99 were observed. Analysis by transmission electron microscopy describes the distribution of the silver nanoparticles on the zeolite outer surface. Additionally, a chemical characterization of the material was carried out through a dilution process with lithium metaborate. An average value of 9.3 in the Si/Al ratio was observed. Factors such as the adsorption behavior of the silver ions and the Si/Al ratio of the zeolite are very important to support the theoretical models and establish the adsorption mechanism of Ag nanoparticles on natural zeolite.
Theoretical and experimental morphologies of 4-aminobenzophenone (ABP) crystals

Science.gov (United States)

Wang, Qingwu; Sheen, D. B.; Shepherd, E. E. A.; Sherwood, J. N.; Simpson, G. S.; Hammond, R. B.

1997-11-01

The lattice energy (Elatt), slice energies (Eslice) and attachment energies (Eatt) of the different habit faces of ABP crystals have been calculated using the computer program HABIT. On the basis of the attachment energies of different crystal faces, the morphology was defined as {1 0 0}, {0 0 1}, {1 1 0}, {11bar0} and {1 01bar}. To confirm this theoretical prediction, we have grown ABP films and ABP crystals from the vapour phase. In both cases, the morphologically most important face was defined as {1 0 0} face using X-ray diffraction techniques. The remaining faces of the vapour-grown crystals were defined using a projection method, while the crystallites in the films were morphologically analysed by means of atomic force microscopy (AFM). The experimental morphologies are basically in agreement with the computation. Deviations from the equilibrium morphology can be ascribed to departure from equilibrium conditions during growth. For completeness, the results are compared with those for crystals grown from solutions for which deviations in morphology from the theoretical predictions can be ascribed to interaction between the crystal faces and solvent molecules.
Characteristics of a micro-fin evaporator: Theoretical analysis and experimental verification

OpenAIRE

Zheng Hui-Fan; Fan Xiao-Wei; Wang Fang; Liang Yao-Hua

2013-01-01

A theoretical analysis and experimental verification on the characteristics of a micro-fin evaporator using R290 and R717 as refrigerants were carried out. The heat capacity and heat transfer coefficient of the micro-fin evaporator were investigated under different water mass flow rate, different refrigerant mass flow rate, and different inner tube diameter of micro-fin evaporator. The simulation results of the heat transfer coefficient are fairly in good a...
Theoretical and experimental study of collectrons for epithermal neutron flux in reactors

International Nuclear Information System (INIS)

Agu, M.N.

1986-01-01

A theoretical study of nuclear reactions and electric charge displacements arising in sensitivity to thermal and epithermal neutrons in collectrons allowed a computer code conception. Collectrons in Rhodium, Silver, Cobalt, Hafnium, Erbium, Gadolinium and Holmium have been tested in different radiation fields given by neutron or gamma filters irradiated in different places of Melusine and Siloe reactors. Some emitters were covered with different steel, nickel or zircaloy thicknesses. Theoretical and experimental results are consistent; that validate the computer code and show possibilities and necessity of covering collectron emitters to reduce or cancel the gamma sensitivity and to improve response instantaneity. A selective measurement of epithermal neutron flux can by this way, made by associating two types of collectrons [fr
Electronic properties of Fe charge transfer complexes – A combined experimental and theoretical approach

International Nuclear Information System (INIS)

Ferreira, Hendrik; Eschwege, Karel G. von; Conradie, Jeanet

2016-01-01

Highlights: • Experimental and computational study of Fe II -phen, -bpy & -tpy compleesx. • Close correlations between experimental redox and spectral, and computational data. • Computational methods fast-track DSSC research. - Abstract: Dye-sensitized solar cell technology holds huge potential in renewable electricity generation of the future. Due to demand urgency, ways need to be explored to reduce research time and cost. Against this background, quantum computational chemistry is illustrated to be a reliable tool at the onset of studies in this field, simulating charge transfer, spectral (solar energy absorbed) and electrochemical (ease by which electrons may be liberated) tuning of related photo-responsive dyes. Comparative experimental and theoretical DFT studies were done under similar conditions, involving an extended series of electrochemically altered phenanthrolines, bipyridyl and terpyridyl complexes of Fe II . Fe II/III oxidation waves vary from 0.363 V for tris(3,6-dimethoxybipyridyl)Fe II to 0.894 V (versus Fc/Fc + ) for the 5-nitrophenanthroline complex. Theoretical DFT computed ionization potentials in the bipyridyl sub-series achieved an almost 100% linear correlation with experimental electrochemical oxidation potentials, while the phenanthroline sub-series gave R 2 = 0.95. Apart from the terpyridyl complex which accorded an almost perfect match, in general, TDDFT oscillators were computed at slightly lower energies than what was observed experimentally, while molecular HOMO and LUMO renderings reveal desired complexes with directional charge transfer propensities.

Theoretical and experimental investigation of wickless heat pipes flat plate solar collector with cross flow heat exchanger

International Nuclear Information System (INIS)

Hussein, H.M.S.

2007-01-01

In this work, a wickless heat pipes flat plate solar collector with a cross flow heat exchanger was investigated theoretically and experimentally under the meteorological conditions of Cairo, Egypt. The author's earlier simulation program of wickless heat pipes flat plate solar water heaters was modified to be valid for the present type of wickless heat pipes solar collector by including the solution of the dimensionless governing equations of the present analysis. For verifying the modified simulation program, a wickless heat pipes flat plate solar collector with a cross flow heat exchanger was designed, constructed, and tested at different meteorological conditions and operating parameters. These parameters include different cooling water mass flow rates and different inlet cooling water temperatures. The comparison between the experimental results and their corresponding simulated ones showed considerable agreement. Under different climatic conditions, the experimental and theoretical results showed that the optimal mass flow rate is very close to the ASHRAE standard mass flow rate for testing conventional flat plate solar collectors. Also, the experimental and theoretical results indicated that the number of wickless heat pipes has a significant effect on the collector efficiency
Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

Science.gov (United States)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.
Experimental and theoretical study of the electron cascade induced in a gas by laser light

International Nuclear Information System (INIS)

Louis-Jacquet, Michel.

1978-10-01

In a laser gas interaction experiment, first electrons created by multiphoton ionization of atoms gain sufficient energy in the laser E.M. wave to promote collisional ionization of other atoms. An experimental and theoretical study of the electron-neutral atom inverse bremsstrahlung process and the consecutive electron cascade is presented. The main basic idea is to create an initial electron population and to study its evolution versus the photon density. A Boltzman equation including several collision terms can describe such a plasma. The resolution by a general eigen values method shows that the electron density growth rate is inversely proportionnal to both neutral atom density and laser light illumination. Experimental conditions were defined in order to insure negligible secondary mechanisms (multiphoton ionization, diffusion, recombination, ...). Using a macroscopic description of the interaction, the growth rate can be deduced from the experimental results. Values are in a rather good agreement with the theoretical ones. Moreover evidence is given of influence of the excited atoms on the multiplication process [fr
THEORETICAL AND EXPERIMENTAL STUDIES OF ENERGY-EFFICIENT GRINDING PROCESS OF CEMENT CLINKER IN A BALL MILL

Directory of Open Access Journals (Sweden)

Kuznetsova M.M.

2014-08-01

Full Text Available The article presents results of theoretical and experimental research of grinding process of bulk materials in a ball mill. The new method of determination of energy efficiently mode of operation of ball mills in a process of a cement clinker grinding is proposed and experimentally tested.
XeCl Excimer Laser For Micro - Machining Of Materials: Preliminary Theoretical And Experimental Works.

Science.gov (United States)

Iwanejko, Leszek; Pokora, Ludwik; Stefanski, Miroslaw; Ujda, Zbigniew

1987-10-01

The paper presents the results of preliminary investigations, both theoretical and experimental, of XeC1 excimer laser pumped by transverse electric discharge with UU preionization. The medium was a mixture of gases He-Xe-HC1. A theoretical model of the XeC1 laser was worked out and a lot of laser parameters calculations were done. In the same time an excimer laser operating on the mixture He-Xe-HC1 was started, the generation of laser radiation was of energy about 20mJ.
Finite size effects on the experimental observables of the Glauber model: a theoretical and experimental investigation

International Nuclear Information System (INIS)

Vindigni, A.; Bogani, L.; Gatteschi, D.; Sessoli, R.; Rettori, A.; Novak, M.A.

2004-01-01

We investigate the relaxation time, τ, of a dilute Glauber kinetic Ising chain obtained by ac susceptibility and SQUID magnetometry on a Co(II)-organic radical Ising 1D ferrimagnet doped with Zn(II). Theoretically we predicted a crossover in the temperature-dependence of τ, when the average segment is of the same order of the correlation length. Comparing the experimental results with theory we conclude that in the investigated temperature range the correlation length exceeds the finite length also in the pure sample
Finite size effects on the experimental observables of the Glauber model: a theoretical and experimental investigation

Energy Technology Data Exchange (ETDEWEB)

Vindigni, A. E-mail: alessandro.vindigni@unifi.it; Bogani, L.; Gatteschi, D.; Sessoli, R.; Rettori, A.; Novak, M.A

2004-05-01

We investigate the relaxation time, {tau}, of a dilute Glauber kinetic Ising chain obtained by ac susceptibility and SQUID magnetometry on a Co(II)-organic radical Ising 1D ferrimagnet doped with Zn(II). Theoretically we predicted a crossover in the temperature-dependence of {tau}, when the average segment is of the same order of the correlation length. Comparing the experimental results with theory we conclude that in the investigated temperature range the correlation length exceeds the finite length also in the pure sample.
Finite size effects on the experimental observables of the Glauber model: a theoretical and experimental investigation

Science.gov (United States)

Vindigni, A.; Bogani, L.; Gatteschi, D.; Sessoli, R.; Rettori, A.; Novak, M. A.

2004-05-01

We investigate the relaxation time, τ, of a dilute Glauber kinetic Ising chain obtained by ac susceptibility and SQUID magnetometry on a Co(II)-organic radical Ising 1D ferrimagnet doped with Zn(II). Theoretically we predicted a crossover in the temperature-dependence of τ, when the average segment is of the same order of the correlation length. Comparing the experimental results with theory we conclude that in the investigted temperature range the correlation length exceeds the finite length also in the pure sample.
An experimental and theoretical analysis of void fraction dynamics in a boiling channel

International Nuclear Information System (INIS)

Romberg, T.M.

1977-01-01

This paper describes an experimental and theoretical investigation of the void fraction dynamics at the exit of a test boiling channel which is operated near the 'instability threshold power' (the power level at which coolant flow instabilities occur). Dynamic measurements of the perturbations in channel inlet flow-rate, power input and exit void fraction are analysed using multivariate spectral analysis. The resulting experimental cross-spectral density functions between flow-rate/exit void fraction and power input/exit void fraction agree favourably with those calculated by a linearised hydrodynamic model in the frequency domain. (Author)
Proceedings of the Workshop on Experimental and theoretical problems around actinides for future reactors

International Nuclear Information System (INIS)

Kerveno, Maelle; Dupuis, Marc; Bauge, E.; Hilaire, S.; Romain, P.; Morillon, B.; Delaroche, J.P.; Dupuis, M.; Peru, S.; Belier, G.; Bonnet, T.; Laborie, J.M.; Laurent, B.; Ledoux, X.; Varignon, C.; Meot, V.; Bernard, David; Capote, Roberto; Kawano, T.; Bond, E.; Vieira, D.J.; Wilhelmy, J.B.; Raynal, J.; Plompen, Arjan J.M.; Drohe, J.C.; Nankov, N.; Nyman, M.; Rouki, C.; Bacquias, A.; Dessagne, Ph.; Henning, G.; Karam, H.; Kerveno, M.; Rudolf, G.; Thiry, J.C.; Borcea, C.; Negret, A.; Stanoiu, M.; Bucurescu, D.; Deleanu, D.; Filipescu, D.; Ghita, D.; Glodariu, T.; Marginean, N.; Marginean, R.; Mihai, C.; Olacel, A.; Pascu, S.; Sava, T.; Stroe, L.; Goriely, S.; Pavlik, A.; Jericha, E.; Ledoux, X.; Becker, J.A.; Macri, R.; Authier, N.; Hyneck, D.; Jansen, Y.; Legendre, J.; Jacquet, X.; Gunsing, Frank; Henning, Greg

2014-03-01

Since the two last decades, in the framework of general researches on future reactors, strong efforts have been devoted to improve the quantity and quality of nuclear data. Indeed, in order to improve safety margins and fuel optimization, but also to develop new kind of reactors or fuel cycles, accurate nuclear data are mandatory. At the end of the twentieth century, nuclear data bases did not reach the required quality level to be used in future reactor simulations. Therefore, both experimentalists and theoreticians, in the framework of several European research programs (HINDAS, NUDATRA, ANDES, CHANDA...), have tried to make the situation better. New sets of precise data measurements concerning fission, capture, (n,xn),..., reaction cross sections for a large variety of nuclei have been initiated. From evaluation point of view, the JEFF project has also improved the quality of nuclear data bases for several nuclei. In parallel, on the theoretical side, progress has also been made concerning cross section modeling in a wide range of energy (eV to GeV). The goal was to provide theoretical models with a good predictive power to feed data bases where experimental data are still missing and where the measurement is too complex. In this context, for example, a new nuclear reaction code TALYS has been developed. Collaboration between experimentalists, theoreticians and evaluators are then of strong interest to make progress. The number of problems to be solved covers various fields of nuclear reactions such as fission, capture or inelastic scattering. In order to avoid too large an audience we have decided, as a first step, to focus on inelastic scattering on actinides. Experimentally, three main methods exist to measure the total inelastic cross section: activation, detection of the emitted neutrons and prompt-gamma spectroscopy. This last method is, nevertheless, dependent on theoretical models since it provides (n,xn γ) cross sections and not the total inelastic
[Experimental and theoretical high energy physics program]. [Purdue Univ. , West Lafayette, Indiana

Energy Technology Data Exchange (ETDEWEB)

Finley, J.; Gaidos, J.A.; Loeffler, F.J.; McIlwain, R.L.; Miller, D.H.; Palfrey, T.R.; Shibata, E.I.; Shipsey, I.P.

1993-04-01

Experimental and theoretical high-energy physics research at Purdue is summarized in a number of reports. Subjects treated include the following: the CLEO experiment for the study of heavy flavor physics; gas microstrip detectors; particle astrophysics; affine Kac[endash]Moody algebra; nonperturbative mass bounds on scalar and fermion systems due to triviality and vacuum stability constraints; resonance neutrino oscillations; e[sup +]e[sup [minus
A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of α-tetrathiophene

International Nuclear Information System (INIS)

Aleman, Carlos; Oliver, Ramon; Brillas, Enric; Casanovas, Jordi; Estrany, Francesc

2006-01-01

This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. The results derived from anodic polymerization of α-tetrathiophene using SCN - , Cl - , Br - , NO 3 - ClO 3 - andClO 4 - as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by α-tetrathiophene and X=SCN, Cl, Br, NO 3 , ClO 3 and ClO 4 . The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of α-tetrathiophene
Theoretical and experimental study of the dark signal in CMOS image sensors affected by neutron radiation from a nuclear reactor

Science.gov (United States)

Xue, Yuanyuan; Wang, Zujun; He, Baoping; Yao, Zhibin; Liu, Minbo; Ma, Wuying; Sheng, Jiangkun; Dong, Guantao; Jin, Junshan

2017-12-01

The CMOS image sensors (CISs) are irradiated with neutron from a nuclear reactor. The dark signal in CISs affected by neutron radiation is studied theoretically and experimentally. The Primary knock-on atoms (PKA) energy spectra for 1 MeV incident neutrons are simulated by Geant4. And the theoretical models for the mean dark signal, dark signal non-uniformity (DSNU) and dark signal distribution versus neutron fluence are established. The results are found to be in good agreement with the experimental outputs. Finally, the dark signal in the CISs under the different neutron fluence conditions is estimated. This study provides the theoretical and experimental evidence for the displacement damage effects on the dark signal CISs.
Theoretical and experimental studies of heavy liquid metal thermal hydraulics. Proceedings of a technical meeting

International Nuclear Information System (INIS)

2006-10-01

Through the Nuclear Energy Department's Technical Working Group on Fast Reactors (TWG-FR), the IAEA provides a forum for exchange of information on national programmes, collaborative assessments, knowledge preservation, and cooperative research in areas agreed by the Member States with fast reactor and partitioning and transmutation development programmes (e.g. accelerator driven systems (ADS)). Trends in advanced fast reactor and ADS designs and technology development are periodically summarized in status reports, symposia, and seminar proceedings prepared by the IAEA to provide all interested IAEA Member States with balanced and objective information. The use of heavy liquid metals (HLM) is rapidly diffusing in different research and industrial fields. The detailed knowledge of the basic thermal hydraulics phenomena associated with their use is a necessary step for the development of the numerical codes to be used in the engineering design of HLM components. This is particularly true in the case of lead or lead-bismuth eutectic alloy cooled fast reactors, high power particle beam targets and in the case of the cooling of accelerator driven sub-critical cores where the use of computational fluid dynamic (CFD) design codes is mandatory. Periodic information exchange within the frame of the TWG-FR has lead to the conclusion that the experience in HLM thermal fluid dynamics with regard to both the theoretical/numerical and experimental fields was limited and somehow dispersed. This is the case, e.g. when considering turbulent exchange phenomena, free-surface problems, and two-phase flows. Consequently, Member States representatives participating in the 35th Annual Meeting of the TWG-FR (Karlsruhe, Germany, 22-26 April 2002) recommended holding a technical meeting (TM) on Theoretical and Experimental Studies of Heavy Liquid Metal Thermal Hydraulics. Following this recommendation, the IAEA has convened the Technical Meeting on Theoretical and Experimental Studies of
Jones matrix formulation of a Porro prism laser resonator with waveplates: theoretical and experimental analysis

Science.gov (United States)

Agrawal, L.; Bhardwaj, A.; Pal, S.; Kumar, A.

2007-11-01

This article presents the results of a detailed theoretical and experimental analysis carried out on a folded Z-shaped polarization coupled, electro-optically Q-switched laser resonator with Porro prisms and waveplates. The advantages of adding waveplates in a Porro prism resonator have been explored for creating high loss condition prior to Q-switching and obtaining variable reflectivity with fixed orientation of Porro prism. Generalized expressions have been derived in terms of azimuth angles and phase shifts introduced by the polarizing elements. These expressions corroborate with known reported results under appropriate substitutions. A specific case of a crossed Porro prism diode-pumped Nd:YAG laser has been theoretically and experimentally investigated. In the feedback arm, a 0.57λ waveplate oriented at 135° completely compensates the phase shift of a fused silica Porro prism and provides better tolerances than a BK-7 prism/0.60λ waveplate combination to stop prelasing. The fused silica prism/0.57λ combination with waveplate at 112° acts like a 100% mirror and was utilized for optimization of free running performance. The effective reflectivity was determined for various orientations of the quarter waveplate in the gain arm to numerically estimate the Q-switched laser pulse parameters through rate equation analysis. Experimental results match well with the theoretical analysis.
Experimental and theoretical electron-scattering cross-section data for dichloromethane

Science.gov (United States)

Krupa, K.; Lange, E.; Blanco, F.; Barbosa, A. S.; Pastega, D. F.; Sanchez, S. d'A.; Bettega, M. H. F.; García, G.; Limão-Vieira, P.; Ferreira da Silva, F.

2018-04-01

We report on a combination of experimental and theoretical investigations into the elastic differential cross sections (DCSs) and integral cross sections for electron interactions with dichloromethane, C H2C l2 , in the incident electron energy over the 7.0-30 eV range. Elastic electron-scattering cross-section calculations have been performed within the framework of the Schwinger multichannel method implemented with pseudopotentials (SMCPP), and the independent-atom model with screening-corrected additivity rule including interference-effects correction (IAM-SCAR+I). The present elastic DCSs have been found to agree reasonably well with the results of IAM-SCAR+I calculations above 20 eV and also with the SMC calculations below 30 eV. Although some discrepancies were found for 7 eV, the agreement between the two theoretical methodologies is remarkable as the electron-impact energy increases. Calculated elastic DCSs are also reported up to 10000 eV for scattering angles from 0° to 180° together with total cross section within the IAM-SCAR+I framework.
Theoretical and experimental study on broadband terahertz atmospheric transmission characteristics

International Nuclear Information System (INIS)

Guo Shi-Bei; Zhong Kai; Wang Mao-Rong; Liu Chu; Xu De-Gang; Yao Jian-Quan; Xiao Yong; Wang Wen-Peng

2017-01-01

Broadband terahertz (THz) atmospheric transmission characteristics from 0 to 8 THz are theoretically simulated based on a standard Van Vleck–Weisskopf line shape, considering 1696 water absorption lines and 298 oxygen absorption lines. The influences of humidity, temperature, and pressure on the THz atmospheric absorption are analyzed and experimentally verified with a Fourier transform infrared spectrometer (FTIR) system, showing good consistency. The investigation and evaluation on high-frequency atmospheric windows are good supplements to existing data in the low-frequency range and lay the foundation for aircraft-based high-altitude applications of THz communication and radar. (paper)
Mass and position determination in MEMS mass sensors: a theoretical and an experimental investigation

KAUST Repository

Bouchaala, Adam M.

2016-08-31

We present a method to determine accurately the position and mass of an entity attached to the surface of an electrostatically actuated clamped-clamped microbeam implemented as a mass sensor. In the theoretical investigation, the microbeam is modeled as a nonlinear Euler-Bernoulli beam and a perturbation technique is used to develop a closed-form expression for the frequency shift due to an added mass at a specific location on the microbeam surface. The experimental investigation was conducted on a microbeam made of Polyimide with a special lower electrode to excite both of the first and second modes of vibration. Using an ink-jet printer, we deposited droplets of polymers with a defined mass and position on the surface of the microbeam and we measured the shifts in its resonance frequencies. The theoretical predictions of the mass and position of the deposited droplets match well with the experimental measurements.
Theoretical and experimental investigation of shock wave stressing of metal powders by an explosion

Directory of Open Access Journals (Sweden)

Lukyanov Ya.L.

2011-01-01

Full Text Available Joint theoretical and experimental investigations have allowed to realize an approach with use of mathematical and physical modeling of processes of a shock wave loading of powder materials. Hugoniot adiabats of the investigated powder have been measured with a noncontact electromagnetic method. The mathematical model of elastic-plastic deformation of the powder media used in the investigation has been validated. Numerical simulation of shock wave propagation and experimental assembly deformation has been performed.
Theoretical and experimental comparisons of Gamble 2 argon gas puff experiments

International Nuclear Information System (INIS)

Thornhill, J.W.; Young, F.C.; Whitney, K.G.; Davis, J.; Stephanakis, S.J.

1990-01-01

A one-dimensional radiative MHD analysis of an imploding argon gas puff plasma is performed. The calculations are set up to approximate the conditions of a series of argon gas puff experiments that were carried out on the NRL Gamble II generator. Annular gas puffs (2.5 cm diameter) are imploded with a 1.2-MA peak driving current for different initial argon mass loadings. Comparisons are made with the experimental results for implosion times, K, L-shell x-ray emission, and energy coupled from the generator to the plasma load. The purpose of these calculations is to provide a foundation from which a variety of physical phenomena which influence the power and total energy of the x-ray emission can be analyzed. Comparisons with similar experimental and theoretical results for aluminum plasmas are discussed

Combine experimental and theoretical investigation on an alkaloid-Dimethylisoborreverine

Science.gov (United States)

Singh, Swapnil; Singh, Harshita; Karthick, T.; Agarwal, Parag; Erande, Rohan D.; Dethe, Dattatraya H.; Tandon, Poonam

2016-01-01

A combined experimental (FT-IR, 1H and 13C NMR) and theoretical approach is used to study the structure and properties of antimalarial drug dimethylisoborreverine (DMIB). Conformational analysis, has been performed by plotting one dimensional potential energy curve that was computed using density functional theory (DFT) with B3LYP/6-31G method and predicted conformer A1 as the most stable conformer. After full geometry optimization, harmonic wavenumbers were computed for conformer A1 at the DFT/B3LYP/6-311++G(d,P) level. A complete vibrational assignment of all the vibrational modes have been performed on the bases of the potential energy distribution (PED) and theoretical results were found to be in good agreement with the observed data. To predict the solvent effect, the UV-Vis spectra were calculated in different solvents by polarizable continuum model using TD-DFT method. Molecular docking studies were performed to test the biological activity of the sample using SWISSDOCK web server and Hex 8.0.0 software. The molecular electrostatic potential (MESP) was plotted to identify the reactive sites of the molecule. Natural bond orbital (NBO) analysis was performed to get a deep insight of intramolecular charge transfer. Thermodynamical parameters were calculated to predict the direction of chemical reaction.
Experimental and Theoretical Researches of a Resonator Concept of a Dielectric Wakefield Accelerator

International Nuclear Information System (INIS)

Onishchenko, I.N.; Kiselev, V.A.; Linnik, A.F.; Onishchenko, N.I.; Sotnikov, G.V.; Uskov, V.V.

2006-01-01

Wakefield excitation in a cylindrical dielectric waveguide or resonator by a regular sequence of electron bunches foe application to high-gradient particle acceleration has been investigated theoretically and experimentally using an electron linac 'ALMAZ-2' (4.5 MeV, 6.10 3 bunches of duration 60 ps and charge 0.32 nC each)
Theoretical and experimental study of a thruster discharging a weight

Science.gov (United States)

Michaels, Dan; Gany, Alon

2014-06-01

An innovative concept for a rocket type thruster that can be beneficial for spacecraft trajectory corrections and station keeping was investigated both experimentally and theoretically. It may also be useful for divert and attitude control systems (DACS). The thruster is based on a combustion chamber discharging a weight through an exhaust tube. Calculations with granular double-base propellant and a solid ejected weight reveal that a specific impulse based on the propellant mass of well above 400 s can be obtained. An experimental thruster was built in order to demonstrate the new idea and validate the model. The thruster impulse was measured both directly with a load cell and indirectly by using a pressure transducer and high speed photography of the weight as it exits the tube, with both ways producing very similar total impulse measurement. The good correspondence between the computations and the measured data validates the model as a useful tool for studying and designing such a thruster.
Experimental and theoretical investigation of an evaporative fuel system for heat engines

International Nuclear Information System (INIS)

Thern, Marcus; Lindquist, Torbjoern; Torisson, Tord

2007-01-01

The evaporative gas turbine (EvGT) pilot plant has been in operation at Lund University in Sweden since 1997. This project has led to improved knowledge of evaporative techniques and the concept of introducing fuel into gas turbines by evaporation. This results in, amongst others, power augmentation, efficiency increase and lower emissions. This article presents the experimental and theoretical results of the evaporation of a mixture of ethanol and water into an air stream at elevated pressures and temperatures. A theoretical model has been established for the simultaneous heat and mass transfer occurring in the ethanol humidification tower. The theoretical model has been validated through experiments at several operating conditions. It has been shown that the air, water and ethanol can be calculated throughout the column in a satisfactory way. The height of the column can be estimated within an error of 15% compared with measurements. The results from the model are most sensitive to the properties of diffusion coefficient, viscosity, thermal conductivity and activity coefficient due to the complexity of the polar gas mixture of water and air
Theoretical and experimental analysis of inverter fed induction motor system under DC link capacitor failure

Directory of Open Access Journals (Sweden)

Hadeed A. Sher

2017-04-01

Full Text Available In this paper theoretical and experimental analysis of an AC–DC–AC inverter under DC link capacitor failure is presented. The failure study conducted for this paper is the open circuit of the DC link capacitor. The presented analysis incorporates the results for both single and three phase AC input. It has been observed that the higher ripple frequency provides better ride through capability for this fault. Furthermore, the effects of this fault on electrical characteristics of AC–DC–AC inverter and mechanical properties of the induction motor are also presented. Moreover, the effect of pulsating torque as a result of an open circuited DC link capacitor is also taken into consideration. Theoretical analysis is supported by computer aided simulation as well as with a real time experimental prototype.
Inference of ICF Implosion Core Mix using Experimental Data and Theoretical Mix Modeling

International Nuclear Information System (INIS)

Welser-Sherrill, L.; Haynes, D.A.; Mancini, R.C.; Cooley, J.H.; Tommasini, R.; Golovkin, I.E.; Sherrill, M.E.; Haan, S.W.

2009-01-01

The mixing between fuel and shell materials in Inertial Confinement Fusion (ICF) implosion cores is a current topic of interest. The goal of this work was to design direct-drive ICF experiments which have varying levels of mix, and subsequently to extract information on mixing directly from the experimental data using spectroscopic techniques. The experimental design was accomplished using hydrodynamic simulations in conjunction with Haan's saturation model, which was used to predict the mix levels of candidate experimental configurations. These theoretical predictions were then compared to the mixing information which was extracted from the experimental data, and it was found that Haan's mix model performed well in predicting trends in the width of the mix layer. With these results, we have contributed to an assessment of the range of validity and predictive capability of the Haan saturation model, as well as increased our confidence in the methods used to extract mixing information from experimental data.
Determination of pKa and the corresponding structures of quinclorac using combined experimental and theoretical approaches

Science.gov (United States)

Song, Dean; Sun, Huiqing; Jiang, Xiaohua; Kong, Fanyu; Qiang, Zhimin; Zhang, Aiqian; Liu, Huijuan; Qu, Jiuhui

2018-01-01

As an emerging environmental contaminant, the herbicide quinclorac has attracted much attention in recent years. However, a very fundamental issue, the acid dissociation of quinclorac has not yet to be studied in detail. Herein, the pKa value and the corresponding structures of quinclorac were systematically investigated using combined experimental and theoretical approaches. The experimental pKa of quinclorac was determined by the spectrophotometric method to be 2.65 at 25 °C with ionic strength of 0.05 M, and was corrected to be 2.56 at ionic strength of zero. The molecular structures of quinclorac were then located by employing the DFT calculation. The anionic quinclorac was directly located with the carboxylic group perpendicular to the aromatic ring, while neutral quinclorac was found to be the equivalent twin structures. The result was further confirmed by analyzing the UV/Vis and MS-MS2 spectra from both experimental and theoretical viewpoints. By employing the QSPR approach, the theoretical pKa of QCR was determined to be 2.50, which is excellent agreement with the experimental result obtained herein. The protonation of QCR at the carboxylic group instead of the quinoline structure was attributed to the weak electronegative property of nitrogen atom induced by the electron-withdrawing groups. It is anticipated that this work could not only help in gaining a deep insight into the acid dissociation of quinclorac but also offering the key information on its reaction and interaction with others.
Experimental control of Stewart's theoretical model of large amplitude moving striations

International Nuclear Information System (INIS)

Berge, G. van den; Vanmarcke, M.

1977-01-01

The longitudinal variation of the electron concentration in large amplitude moving striations, computed theoretically by Stewart, has been tested experimentally. The measurements are carried out by means of a sampling probe technique in the glow discharge of neon (I = 105 mA, 2R = 5.6 cm, p 0 = 0.79 torr) and of argon (I = 75 mA, 2R = 5.7 cm, p 0 = 0.46 torr). It is found that the measured dependence of the concentration is not consistent with the theory. (Auth.)
Single-phase and two phase bubbly flow in a T connection: theoretical and experimental study

International Nuclear Information System (INIS)

Hervieu, Eric

1988-01-01

The objective of this research thesis is to highlight the driving factors of the separation of phases of a bubbly flow in a T junction, and to develop a prediction model. In a first part, the author reports the rigorous formulation of equations averaged on the T volume. He shows that it's not possible to solve globally the problem with these equations. Then, he reports a bibliographical study on the modelling of a bubbly flow, and, based upon this study, highlights intrinsic characteristics of the flow, and explains its dynamic mechanisms. He reports the development of the theoretical model, and describes the experimental installation used to validate it. In the third part, he reports the study of the liquid-gas interaction, and presents the adopted approach: study of the behaviour of an isolated bubble within a single-phase flow. Experimentation is used to check theoretical predictions. Results are used to compute phase separation. The obtained results are again compared with experimental results to validate the global relevance of the model [fr
High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

International Nuclear Information System (INIS)

Waskowska, A; Gerward, L; Olsen, J Staun; Feliz, M; Llusar, R; Gracia, L; Marques, M; Recio, J M

2004-01-01

The high-pressure structural behaviour of the cubic spinel CdCr 2 Se 4 (space group Fd3barm) and tetragonal CdGa 2 Se 4 (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa 2 Se 4 is 85 GPa. This value together with the experimental and theoretical results for CdCr 2 Se 4 suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels
Theoretical and experimental studies on in-plane stiffness of integrated container structure

Directory of Open Access Journals (Sweden)

Xiaoxiong Zha

2016-03-01

Full Text Available This article presents analytical, numerical, and experimental studies on the in-plane stiffness of container buildings. First, based on diaphragm theory, parallel corrugated direction stiffness of corrugated sheet has been deduced, and based on energy method, shear modulus of two elastic principal directions of orthotropic plate has been deduced, and through stiffness conversion method, the stiffness relationship between parallel corrugated direction and vertical corrugated direction has been obtained. Combined with container frame, the container stiffness of loading end and non-loading end, as bottom side beam fixed, has been obtained. Second, through the software Abaqus, full-scale container model has been established. The loading–displacement curve of finite element model has been compared with theoretical analysis and has a good agreement. Third, through 20 and 40 ft container, corresponding experimental verification has been done, and by comparison of container stiffness, the theoretical analysis and finite element simulation have been verified. Finally, based on verified finite element model, parametric analysis of corrugated sheet size, corrugated sheeting cross section, elasticity modulus of top side beam, and every plate action for container stiffness have been given. Research result has made feasible in design and construction of container buildings and can provide some references to corresponding specification preparation.
A theoretical and experimental study of the thermal degradation of biomass

Energy Technology Data Exchange (ETDEWEB)

Groenli, Morten G.

1996-12-31

This thesis relates to the thermal degradation of biomass covering a theoretical and experimental study in two parts. In the first part, there is presented an experimental and modeling work on the pyrolysis of biomass under regimes controlled by chemical kinetics, and the second part presents an experimental and modeling work on the pyrolysis of biomass under regimes controlled by heat and mass transfer. Five different celluloses, and hemicellulose and lignin isolated from birch and spruce have been studied by thermogravimetry. The thermo grams of wood species revealed different weight loss characteristics which can be attributed to their different chemical composition. The kinetic analysis gave activation energies between 210 and 280 kJ/mole for all the celluloses, and a model of independent parallel reactions was successfully used to describe the thermal degradation. In the second part of the thesis there is presented experimental and modeling work on the pyrolysis of biomass under regimes controlled by heat and mass transfer. The effect of heating conditions on the product yields distribution and reacted fraction was investigated. The experiments show that heat flux alters the pyrolysis products as well as the intra particle temperatures to the greatest extent. A comprehensive mathematical model which can simulate drying and pyrolysis of moist wood is presented. The simulation of thermal degradation and heat transport processes agreed well with experimental results. 198 refs., 139 figs., 68 abs.
Plasma Electronics. Theoretical and Experimental Investigations of Plasma Nonlinearity in the Powerful Microwave Oscillators

International Nuclear Information System (INIS)

Bliokh, Yu.P.

2001-01-01

During more than 50 years of Plasma Electronics development a great number of experimental and theoretical results have been achieved. These results allow understanding of physical processes which originate under charged particles beams interaction with a plasma. However, one essential aspect of such interaction remains insufficiently studied. The question is about a correlation between conditions of microwave excitation by a beam in plasma and plasma parameters. Each of these effects, namely the influence of plasma parameters on conditions of microwave excitation by a beam and plasma parameters variations under the influence of propagating microwave radiation are well known and investigated enough. However their common action under beam-plasma instability (BPI) development were not studied systematically, although the role of such reciprocal influence on character of these processes may be very large. The aim of this report is a review of recent theoretical and experimental investigations of such plasma nonlinearity in plasma-filled trawling-wave tubes. N.M.Zemlyansky and E.A.Kornilov have done experiments in Kharkov Institute of Physics and Technology (KhPhTI). Development of the theoretical model was started in KhPhTI (Yu.P.Bliokh, Ya.B.Fainberg, M.G.Lyubarsky, and V.O.Podobinsky) and continues by author in Technion. The developed theory takes into account two main reasons of the plasma density redistribution: high frequency pressure (HFP) force which ''push out'' plasma from the regions with increased microwave amplitude, or microwave discharge, which appears in the region where amplitude is large enough. Displaced (under HFP action) or additionally originating (under (BPD) development) plasma propagates from the disturbance source in the form of slow plasma waves (for example, ion-sound or magneto-sound waves), and the BPI develops in the nonhomogeneous plasma. It changes both magnitude and longitudinal distribution of excited microwave amplitude. As a result
Theoretical and experimental analysis of the induction generators; Analise teorica e experimental do gerador de inducao

Energy Technology Data Exchange (ETDEWEB)

Wu, Marcel; Martins Neto, Luciano; Calixto, Wesley Pacheco; Gontijo, Andre Luiz; Alves, Aylton Jose [Universidade Federal de Uberlandia (LMEE/FEELT/UFU), MG (Brazil). Fac. de Engenharia Eletrica. Lab. de Maquinas Eletricas Especiais], E-mails: marcel@mestrado.ufu.br, lmn@ufu.br, wpcalixto@ieee.org, aja@cefetgo.br

2009-10-15

Due to its lower costs, robustness, reduced maintenance and easy operation, the induction generator shows to be an economic alternative in small power generator systems. This work presents the initial phase of pertinent studies about the employment of the induction generator directly connected to the electrical power grid in a pilot project to be implemented at the Santa Luzia SHP. A project that aims to raise relevant operational aspects and to evidence some advantages about the employment of the induction generator in small power generator systems. This phase comprises the experimentation of an induction generator directly connected to the power grid in a laboratorial scale, plus a computational modeling which represents the same. This computational modeling takes into account loads variations which are being supplied by the generator, unbalance between phases and magnetic saturation effects, such as harmonic distortions in the generated currents. From the experimental model collected data, a theoretical-experimental confrontation of the computational modeling is made, where quantitative and qualitative analyses about the operational characteristics of the machine are made. The results of this work will head the operation and supervision of the SHP induction machine. (author)
Charge transfer through DNA/DNA duplexes and DNA/RNA hybrids: complex theoretical and experimental studies.

Science.gov (United States)

Kratochvílová, Irena; Vala, Martin; Weiter, Martin; Špérová, Miroslava; Schneider, Bohdan; Páv, Ondřej; Šebera, Jakub; Rosenberg, Ivan; Sychrovský, Vladimír

2013-01-01

Oligonucleotides conduct electric charge via various mechanisms and their characterization and understanding is a very important and complicated task. In this work, experimental (temperature dependent steady state fluorescence spectroscopy, time-resolved fluorescence spectroscopy) and theoretical (Density Functional Theory) approaches were combined to study charge transfer processes in short DNA/DNA and RNA/DNA duplexes with virtually equivalent sequences. The experimental results were consistent with the theoretical model - the delocalized nature of HOMO orbitals and holes, base stacking, electronic coupling and conformational flexibility formed the conditions for more effective short distance charge transfer processes in RNA/DNA hybrids. RNA/DNA and DNA/DNA charge transfer properties were strongly connected with temperature affected structural changes of molecular systems - charge transfer could be used as a probe of even tiny changes of molecular structures and settings. © 2013. Published by Elsevier B.V. All rights reserved.
Damage threshold of lithium niobate crystal under single and multiple femtosecond laser pulses: theoretical and experimental study

International Nuclear Information System (INIS)

Meng, Qinglong; Zhang, Bin; Zhong, Sencheng; Zhu, Liguo

2016-01-01

The damage threshold of lithium niobate crystal under single and multiple femtosecond laser pulses has been studied theoretically and experimentally. Firstly, the model for the damage threshold prediction of crystal materials based on the improved rate equation has been proposed. Then, the experimental measure method of the damage threshold of crystal materials has been given in detail. On the basis, the variation of the damage threshold of lithium niobate crystal with the pulse duration has also been analyzed quantitatively. Finally, the damage threshold of lithium niobate crystal under multiple laser pulses has been measured and compared to the theoretical results. The results show that the transmittance of lithium niobate crystal is almost a constant when the laser pulse fluence is relative low, whereas it decreases linearly with the increase in the laser pulse fluence below the damage threshold. The damage threshold of lithium niobate crystal increases with the increase in the duration of the femtosecond laser pulse. And the damage threshold of lithium niobate crystal under multiple laser pulses is obviously lower than that irradiated by a single laser pulse. The theoretical data fall in good agreement with the experimental results. (orig.)
The theoretical and experimental researches of Pb-Al composite materials extrusion

Directory of Open Access Journals (Sweden)

G. Ryzińska

2012-07-01

Full Text Available The work presents the analysis of the character of a simultaneous plastic flow of composite material of a hard core-soft sleeve structure. Experimental research work using model composite material Aluminium-Lead and theoretical analysis allowed to identify the initial cracking conditions, its character and localization, depending on geometrical parameters of the composite materials and the extrusion ratio value. It has been shown that the higher the parameters’ values are, the longer the flawless extruded product is (cracking appears in the further stages of the process.
Comparison between theoretical and experimental results of the 1/6 scale concrete model under internal pressure

International Nuclear Information System (INIS)

Riviere, J.; Barbe, B.; Millard, A.; Koundy, V.

1988-01-01

The prevision of the behavior of the 1/6 scale concrete model under internal pressure was realized by means of two computations, the first one with an infinite soil rigidity, the second one with a soil rigidity equal to 61.26 MPa/m. These two computations, that assumed a perfectly axisymetric structure gave theoretical and experimental results in good agreement, except the raft of which the theoretical uplift was three times higher than the experimental one. The main conclusions of this study are as follow: the soil stiffness has no influence on the ultimate behavior of the model, the dead concrete rigidity decreases the raft uplift in an important way, the model is destroyed because the hoop stress reaches the ultimate strength
Critical comparison of experimental data and theoretical predictions for N-d scattering below the breakup threshold

Energy Technology Data Exchange (ETDEWEB)

Kievsky, A. [Istituto Nazionale di Fisica Nucleare, Pisa (Italy); Rosati, S. [Istituto Nazionale di Fisica Nucleare, Pisa (Italy)]|[Pisa Univ. (Italy). Dipt. di Fisica; Tornow, W. [Duke Univ., Durham, NC (United States). Dept. of Physics; Viviani, M. [Istituto Nazionale di Fisica Nucleare, Pisa (Italy)

1996-09-30

The theoretical approaches for studying N-d processes using realistic, semi-phenomenological NN potentials have matured considerably during the last few years. Accurate calculations of scattering observables are now feasible. Recently, high-quality measurements of N-d scattering at energies below the deuteron breakup threshold became available. Therefore, a detailed comparison between theory and experimental data can now be performed. In this paper the various sets of experimental data for the N-d differential cross section, and the vector and tensor analyzing powers are examined in a critical way in the incident nucleon energy range from 1 to 3 MeV. In order to identify possible inadequacies of the interaction models adopted, phase-shift analyses were performed and compared to the theoretical parameters. (orig.).
Quantum Hall effects recent theoretical and experimental developments

CERN Document Server

Ezawa, Zyun Francis

2013-01-01

Enthusiasm for research on the quantum Hall effect (QHE) is unbounded. The QHE is one of the most fascinating and beautiful phenomena in all branches of physics. Tremendous theoretical and experimental developments are still being made in this sphere. Composite bosons, composite fermions and anyons were among distinguishing ideas in the original edition. In the 2nd edition, fantastic phenomena associated with the interlayer phase coherence in the bilayer system were extensively described. The microscopic theory of the QHE was formulated based on the noncommutative geometry. Furthermore, the unconventional QHE in graphene was reviewed, where the electron dynamics can be treated as relativistic Dirac fermions and even the supersymmetric quantum mechanics plays a key role. In this 3rd edition, all chapters are carefully reexamined and updated. A highlight is the new chapter on topological insulators. Indeed, the concept of topological insulator stems from the QHE. Other new topics are recent prominent experime...

Photodynamic therapy: Theoretical and experimental approaches to dosimetry

Science.gov (United States)

Wang, Ken Kang-Hsin

Singlet oxygen (1O2) is the major cytotoxic species generated during photodynamic therapy (PDT), and 1O 2 reactions with biological targets define the photodynamic dose at the most fundamental level. We have developed a theoretical model for rigorously describing the spatial and temporal dynamics of oxygen (3O 2) consumption and transport and microscopic 1O 2 dose deposition during PDT in vivo. Using experimentally established physiological and photophysical parameters, the mathematical model allows computation of the dynamic variation of hemoglobin-3O 2 saturation within vessels, irreversible photosensitizer degradation due to photobleaching, therapy-induced blood flow decrease and the microscopic distributions of 3O2 and 1O 2 dose deposition under various irradiation conditions. mTHPC, a promising photosensitizer for PDT, is approved in Europe for the palliative treatment of head and neck cancer. Using the theoretical model and informed by intratumor sensitizer concentrations and distributions, we calculated photodynamic dose depositions for mTHPC-PDT. Our results demonstrate that the 1O 2 dose to the tumor volume does not track even qualitatively with long-term tumor responses. Thus, in this evaluation of mTHPC-PDT, any PDT dose metric that is proportional to singlet oxygen creation and/or deposition would fail to predict the tumor response. In situations like this one, other reporters of biological response to therapy would be necessary. In addition to the case study of mTHPC-PDT, we also use the mathematical model to simulate clinical photobleaching data, informed by a possible blood flow reduction during treatment. In a recently completed clinical trial at Roswell Park Cancer Institute, patients with superficial basal cell carcinoma received topical application of 5-aminolevulinic acid (ALA) and were irradiated with 633 nm light at 10-150 mW cm-2 . Protoporphyrin IX (PpIX) photobleaching in the lesion and the adjacent perilesion normal margin was monitored by
A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of {alpha}-tetrathiophene

Energy Technology Data Exchange (ETDEWEB)

Aleman, Carlos [Departament d' Enginyeria Quimica, E.T.S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu; Oliver, Ramon [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain); Brillas, Enric [Departament de Quimica Fisica, Facultat de Quimica, Universitat de Barcelona, Marti i Franques 1, Barcelona E-08028 (Spain); Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida E-25001 (Spain); Estrany, Francesc [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain)], E-mail: francesc.estrany@upc.edu

2006-04-21

This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene. The results derived from anodic polymerization of {alpha}-tetrathiophene using SCN{sup -}, Cl{sup -}, Br{sup -}, NO{sub 3}{sup -}ClO{sub 3}{sup -}andClO{sub 4}{sup -} as dopant agents are compared with theoretical results provided by quantum mechanical calculations on 1:1 charge-transfer complexes formed by {alpha}-tetrathiophene and X=SCN, Cl, Br, NO{sub 3}, ClO{sub 3} and ClO{sub 4}. The consistency between experimental and theoretical results allows explain and rationalize the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene.
Thermodynamics of nanoadsorption from solution: Theoretical and experimental research

International Nuclear Information System (INIS)

Wen, Yan-Zhen; Xue, Yong-Qiang; Cui, Zi-Xiang; Wang, Yan

2015-01-01

Highlights: • The thermodynamic theory of nanoadsorption was proposed. • The thermodynamic relations of nanoadsorption were derived. • The results of the experiments are accord with the theory. - Abstract: In this study, the effect of nanoparticle size on adsorption thermodynamics was investigated. The results of theoretical and experimental studies show that particle size significantly affects the equilibrium constant and thermodynamic properties of nanoadsorption. Relationships between the equilibrium constant, thermodynamic properties and particle size were derived using the thermodynamic theory of nanoadsorption. The equilibrium constant and thermodynamic properties were obtained by investigating the adsorption of Cu 2+ onto different sizes of nano-ZnO and the adsorption of Ag + onto different sizes of nano-TiO 2 . Good agreement was achieved between results obtained by experiments and predicted by theoretical analyses. The equilibrium constant and the molar Gibbs free energy of nanoadsorption were found to increase with smaller nanoparticle size. However, the effects of particle size on the molar enthalpy and the molar entropy are uncertain. In addition, the molar Gibbs free energy, the molar enthalpy, the molar entropy and the logarithm of the equilibrium constant are linearly related to the reciprocal of the diameter of the nanoparticle. The thermodynamic properties revealed in this study may provide important guidelines for research and application in the field of nanoadsorption
Solitons: interactions, theoretical and experimental challenges and perspectives (physics research and technology)

CERN Document Server

2013-01-01

In mathematics and physics, a soliton is a self-reinforcing solitary wave (a wave packet or pulse) that maintains its shape while it travels at constant speed. Solitons are caused by a cancellation of non-linear and dispersive effects in the medium. In this book, the authors discuss the interactions and theoretical and experimental challenges of solitons. Topics include soliton motion of electrons and its physical properties in coupled electron-phonon systems and ionic crystals; soliton excitations and its experimental evidence in molecular crystals; shapes and dynamics of semi-discrete solitons in arrayed and stacked waveguiding systems; ion-acoustic super solitons in plasma; diamond-controlled solitons and turbulence in extracellular matrix and lymphatic dynamics; and non-linear waves in strongly interacting relativistic fluids.
Experimental Investigation and Theoretical Modeling of Nanosilica Activity in Concrete

Directory of Open Access Journals (Sweden)

Han-Seung Lee

2014-01-01

Full Text Available This paper presents experimental investigations and theoretical modeling of the hydration reaction of nanosilica blended concrete with different water-to-binder ratios and different nanosilica replacement ratios. The developments of chemically bound water contents, calcium hydroxide contents, and compressive strength of Portland cement control specimens and nanosilica blended specimens were measured at different ages: 1 day, 3 days, 7 days, 14 days, and 28 days. Due to the pozzolanic reaction of nanosilica, the contents of calcium hydroxide in nanosilica blended pastes are considerably lower than those in the control specimens. Compared with the control specimens, the extent of compressive strength enhancement in the nanosilica blended specimens is much higher at early ages. Additionally, a blended cement hydration model that considers both the hydration reaction of cement and the pozzolanic reaction of nanosilica is proposed. The properties of nanosilica blended concrete during hardening were evaluated using the degree of hydration of cement and the reaction degree of nanosilica. The calculated chemically bound water contents, calcium hydroxide contents, and compressive strength were generally consistent with the experimental results.
Electronic structure of copper phthalocyanine : An experimental and theoretical study of occupied and unoccupied levels

NARCIS (Netherlands)

Evangelista, Fabrizio; Carravetta, Vincenzo; Stefani, Giovanni; Jansik, Branislav; Alagia, Michele; Stranges, Stefano; Ruocco, Alessandro

2007-01-01

An experimental and theoretical study of the electronic structure of copper phthalocyanine (CuPc) molecule is presented. We performed x-ray photoemission spectroscopy (XPS) and photoabsorption [x-ray absorption near-edge structure (XANES)] gas phase experiments and we compared the results with
Theoretical and experimental investigations of thickness- stretch modes in 1-3 piezoelectric composites

International Nuclear Information System (INIS)

Yang, Z T; Zeng, D P; He, M; Wang, H

2015-01-01

Bulk piezoelectric ceramics operating in thickness-stretch (TSt) modes have been widely used in acoustic-related devices. However, the fundamental TSt waves are always coupled with other modes, and the occurrence of these spurious modes in bulk piezoelectric ceramics affects its performance. To suppress the spurious modes, 1-3 piezoelectric composites are promising candidates. However, theoretical modeling of multiphase ceramic composite objects is very complex. In this study, a 1-3 piezoelectric composite sample and a bulk piezoelectric sample are fabricated. The electrical impedance of these two samples are compared. A simple analytical TSt vibration mode from the three dimensional equations of linear piezoelectricity is used to model the performance of 1-3 piezoelectric composites. The theoretical results agree well with the experimental results. (paper)
Theoretical and experimental determination of phloem translocation speeds in gymnosperm and angiosperm trees

DEFF Research Database (Denmark)

Liesche, Johannes; Jensen, K.; Minchin, P.

2013-01-01

In trees, carbohydrates produced in photosynthesizing leaves are transported to roots and other sink organs over distances of up to 100 m inside a specialized transport tissue, the phloem. Carbohydrate translocation in the phloem is a fundamental aspect of tree physiology with relevance for tree...... crop performance and climate change. In this paper, we present theoretical and experimental data on the carbohydrate transport speed inside the phloem....
When VSEPR fails: experimental and theoretical investigations of the behavior of alkaline-earth-metal acetylides.

Science.gov (United States)

Guino-o, Marites A; Alexander, Jacob S; McKee, Michael L; Hope, Håkon; Englich, Ulrich B; Ruhlandt-Senge, Karin

2009-11-09

The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing experimental and theoretical data to offer new insights into the intensively debated theme of structural chemistry in heavy alkaline-earth-metal chemistry.
Theoretical and experimental stress analyses of ORNL thin-shell cylinder-to-cylinder model 3

International Nuclear Information System (INIS)

Gwaltney, R.C.; Bolt, S.E.; Corum, J.M.; Bryson, J.W.

1975-06-01

The third in a series of four thin-shell cylinder-to-cylinder models was tested, and the experimentally determined elastic stress distributions were compared with theoretical predictions obtained from a thin-shell finite-element analysis. The models are idealized thin-shell structures consisting of two circular cylindrical shells that intersect at right angles. There are no transitions, reinforcements, or fillets in the junction region. This series of model tests serves two basic purposes: the experimental data provide design information directly applicable to nozzles in cylindrical vessels; and the idealized models provide test results for use in developing and evaluating theoretical analyses applicable to nozzles in cylindrical vessels and to thin piping tees. The cylinder of model 3 had a 10 in. OD and the nozzle had a 1.29 in. OD, giving a d 0 /D 0 ratio of 0.129. The OD/thickness ratios for the cylinder and the nozzle were 50 and 7.68 respectively. Thirteen separate loading cases were analyzed. In each, one end of the cylinder was rigidly held. In addition to an internal pressure loading, three mutually perpendicular force components and three mutually perpendicular moment components were individually applied at the free end of the cylinder and at the end of the nozzle. The experimental stress distributions for all the loadings were obtained using 158 three-gage strain rosettes located on the inner and outer surfaces. The loading cases were also analyzed theoretically using a finite-element shell analysis developed at the University of California, Berkeley. The analysis used flat-plate elements and considered five degrees of freedom per node in the final assembled equations. The comparisons between theory and experiment show reasonably good agreement for this model. (U.S.)
Theoretical and experimental stress analyses of ORNL thin-shell cylinder-to-cylinder model 4

International Nuclear Information System (INIS)

Gwaltney, R.C.; Bolt, S.E.; Bryson, J.W.

1975-06-01

The last in a series of four thin-shell cylinder-to-cylinder models was tested, and the experimentally determined elastic stress distributions were compared with theoretical predictions obtained from a thin-shell finite-element analysis. The models in the series are idealized thin-shell structures consisting of two circular cylindrical shells that intersect at right angles. There are no transitions, reinforcements, or fillets in the junction region. This series of model tests serves two basic purposes: (1) the experimental data provide design information directly applicable to nozzles in cylindrical vessels, and (2) the idealized models provide test results for use in developing and evaluating theoretical analyses applicable to nozzles in cylindrical vessels and to thin piping tees. The cylinder of model 4 had an outside diameter of 10 in., and the nozzle had an outside diameter of 1.29 in., giving a d 0 /D 0 ratio of 0.129. The OD/thickness ratios were 50 and 20.2 for the cylinder and nozzle respectively. Thirteen separate loading cases were analyzed. For each loading condition one end of the cylinder was rigidly held. In addition to an internal pressure loading, three mutually perpendicular force components and three mutually perpendicular moment components were individually applied at the free end of the cylinder and at the end of the nozzle. The experimental stress distributions for each of the 13 loadings were obtained using 157 three-gage strain rosettes located on the inner and outer surfaces. Each of the 13 loading cases was also analyzed theoretically using a finite-element shell analysis developed at the University of California, Berkeley. The analysis used flat-plate elements and considered five degrees of freedom per node in the final assembled equations. The comparisons between theory and experiment show reasonably good agreement for this model. (U.S.)
Theoretical and experimental studies of the magnetic fields of Rotamak discharge

International Nuclear Information System (INIS)

Kirolous, H.

1986-12-01

In part I of this thesis, the self-generated bi-directional toroidal magnetic field structure which has been observed to exist in previous rotamak discharges is theoretically investigated. A possible explanation for the existence of this self-generated field, which relies on the presence of screening currents in the plasma, is advanced. Experimental studies of the magnetic field structure of a rotamak plasma configuration generated and sustained in a metal discharge vessel by means of a rotating magnetic field are described in part II. The rotating magnetic field was produced by feeding radio frequency (r.f.) currents, dephased by 90 degrees, through two orthogonal coils which were located inside the metal chamber. High power amplifiers were used to supply the r.f. current pulses. The efficiency of the r.f. power transfer to the plasma was maximized by using impedance matching networks. The effect on the rotating magnetic field of eddy currents induced in the conducting vessel has been theoretically and experimentally investigated. Extensive magnetic field measurements have been undertaken on one particular rotamak discharge. Measurements of the penetration of the rotating magnetic field into the plasma were made at various axial positions. The steady magnetic field structure was measured at a matrix of 2640 points and a two dimensional least square polynomial fitting algorithm was used to smooth the measured data. This fitting procedure enabled reliable plots of the poloidal flux and current density contours to be constructed. An attempt has been made to apply MHD equilibrium theory to the observed plasma/field configuration. 23 refs., 99 figs., ills
Energy levels and quantum states of [Leu]enkephalin conformations based on theoretical and experimental investigations

DEFF Research Database (Denmark)

Abdali, Salim; Jensen, Morten Østergaard; Bohr, Henrik

2003-01-01

This paper describes a theoretical and experimental study of [Leu]enkephalin conformations with respect to the quantum estates of the atomic structure of the peptide. Results from vibrational absorption measurements and quantum calculations are used to outline a quantum picture and to assign vibr...
Experimental and theoretical studies of buoyant-thermo capillary flow

International Nuclear Information System (INIS)

Favre, E.; Blumenfeld, L.; Soubbaramayer

1996-01-01

In the AVLIS process, uranium metal is evaporated using a high power electron gun. We have prior discussed the power balance equation in the electron beam evaporation process and pointed out, among the loss terms, the importance of the power loss due to the convective flow in the molten pool driven by buoyancy and thermo capillarity. An empirical formula has been derived from model experiments with cerium, to estimate the latter power loss and that formula can be used practically in engineering calculations. In order to complete the empirical approach, a more fundamental research program of theoretical and experimental studies have been carried out in Cea-France, with the objective of understanding the basic phenomena (heat transport, flow instabilities, turbulence, etc.) occurring in a convective flow in a liquid layer locally heated on its free surface
Experimental And Theoretical High Energy Physics Research At UCLA

Energy Technology Data Exchange (ETDEWEB)

Cousins, Robert D. [University of California Los Angeles

2013-07-22

This is the final report of the UCLA High Energy Physics DOE Grant No. DE-FG02- 91ER40662. This report covers the last grant project period, namely the three years beginning January 15, 2010, plus extensions through April 30, 2013. The report describes the broad range of our experimental research spanning direct dark matter detection searches using both liquid xenon (XENON) and liquid argon (DARKSIDE); present (ICARUS) and R&D for future (LBNE) neutrino physics; ultra-high-energy neutrino and cosmic ray detection (ANITA); and the highest-energy accelerator-based physics with the CMS experiment and CERN’s Large Hadron Collider. For our theory group, the report describes frontier activities including particle astrophysics and cosmology; neutrino physics; LHC interaction cross section calculations now feasible due to breakthroughs in theoretical techniques; and advances in the formal theory of supergravity.
Experimental and Theoretical Progress of Linear Collider Final Focus Design and ATF2 Facility

CERN Document Server

Seryi, Andrei; Zimmermann, Frank; Kubo, Kiyoshi; Kuroda, Shigeru; Okugi, Toshiyuki; Tauchi, Toshiaki; Terunuma, Nobuhiro; Urakawa, Junji; White, Glen; Woodley, Mark; Angal-Kalinin, Deepa

2014-01-01

In this brief overview we will reflect on the process of the design of the linear collider (LC) final focus (FF) optics, and will also describe the theoretical and experimental efforts on design and practical realisation of a prototype of the LC FF optics implemented in the ATF2 facility at KEK, Japan, presently being commissioned and operated.
A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of α-tetrathiophene

International Nuclear Information System (INIS)

Aleman, Carlos; Oliver, Ramon; Brillas, Enric; Casanovas, Jordi; Estrany, Francesc

2005-01-01

This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of α-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO 4 , while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by α-tetrathiophene and X = ClO 4 , Cl or Br. The consistency between experimental and theoretical results is discussed
Experimental and theoretical studies of manganite and magnetite compounds

International Nuclear Information System (INIS)

Srinitiwarawong, Chatchai

2002-01-01

In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)
Experimental measurements and theoretical simulations for neutron flux in self-serve facility of Dhruva reactor

International Nuclear Information System (INIS)

Rana, Y.S.; Mishra, Abhishek; Singh, Tej

2016-06-01

Dhruva is a 100 MW th tank type research reactor with natural metallic uranium as fuel and heavy water as coolant, moderator and reflector. The reactor is utilized for production of a large variety of radioisotopes for fulfilling growing demands of various applications in industrial, agricultural and medicinal sectors, and neutron beam research in condensed matter physics. The core consists of two on-power tray rods for radioisotope production and fifteen experimental beam holes for neutron beam research. Recently, a self-serve facility has also been commissioned in one of the through tubes in the reactor for carrying out short term irradiations. To get accurate information about neutron flux spectrum, measurements have been carried out in self-serve facility of Dhruva reactor. The present report describes measurement method, analysis technique and results. Theoretical estimations for neutron flux were also carried out and a comparison between theoretical and experimental results is made. (author)
Electric dipole moments of the fluorescent probes Prodan and Laurdan: experimental and theoretical evaluations.

Science.gov (United States)

Vequi-Suplicy, Cíntia C; Coutinho, Kaline; Lamy, M Teresa

2014-03-01

Several experimental and theoretical approaches can be used for a comprehensive understanding of solvent effects on the electronic structure of solutes. In this review, we revisit the influence of solvents on the electronic structure of the fluorescent probes Prodan and Laurdan, focusing on their electric dipole moments. These biologically used probes were synthesized to be sensitive to the environment polarity. However, their solvent-dependent electronic structures are still a matter of discussion in the literature. The absorption and emission spectra of Prodan and Laurdan in different solvents indicate that the two probes have very similar electronic structures in both the ground and excited states. Theoretical calculations confirm that their electronic ground states are very much alike. In this review, we discuss the electric dipole moments of the ground and excited states calculated using the widely applied Lippert-Mataga equation, using both spherical and spheroid prolate cavities for the solute. The dimensions of the cavity were found to be crucial for the calculated dipole moments. These values are compared to those obtained by quantum mechanics calculations, considering Prodan in vacuum, in a polarizable continuum solvent, and using a hybrid quantum mechanics-molecular mechanics methodology. Based on the theoretical approaches it is evident that the Prodan dipole moment can change even in the absence of solute-solvent-specific interactions, which is not taken into consideration with the experimental Lippert-Mataga method. Moreover, in water, for electric dipole moment calculations, it is fundamental to consider hydrogen-bonded molecules.

Experimental Demonstration and Theoretical Analysis of Slow Light in a Semiconductor Waveguide at GHz Frequencies

DEFF Research Database (Denmark)

Mørk, Jesper; Kjær, Rasmus; Poel, Mike van der

2005-01-01

Experimental demonstration and theoretical analysis of slow light in a semiconductor waveguide at GHz frequencies slow-down of light by a factor of two in a semiconductor waveguide at room temperature with a bandwidth of 16.7 GHz using the effect of coherent pulsations of the carrier density...
Physics. Experimental and theoretical foundations. Pt. 3. Atomic, molecular, and quantum physics. 2. ed.

International Nuclear Information System (INIS)

Weber, Reinhart

2012-01-01

This textbook mediates in three volumes the matter of the first four semester of the bachelor respectively master course. The otherwise generally usual separate presentation of experimental and theoretical physics is canceled in favor of an integrated treatment. The advances are obvious: The studying is enabled to learn to understand knowledge gotten by means of experiments also immediately in a quantitative formulation. The can equally be used as textbook to an integrated course and to separated courses. Because the relevant theoretical concepts are developed without gap a special book of theoretical physics is unnecessary. Numerous exercise problems deepen the understanding and help directly in the preparation for examinations. The illustrations are mostly presented in two colours. Volume III treats atomic and molecular physics. After a semiclassical presentation the quantum-mechanical foundations are developed and in the following chapters applied to atomic systems and processes. An introduction in the foundations and application of the laser. The closure is formed by a chapter about entangled systems.
An experimental and theoretical study of reaction mechanisms between nitriles and hydroxylamine.

Science.gov (United States)

Vörös, Attila; Mucsi, Zoltán; Baán, Zoltán; Timári, Géza; Hermecz, István; Mizsey, Péter; Finta, Zoltán

2014-10-28

The industrially relevant reaction between nitriles and hydroxylamine yielding amidoximes was studied in different molecular solvents and in ionic liquids. In industry, this procedure is carried out on the ton scale in alcohol solutions and the above transformation produces a significant amount of unexpected amide by-product, depending on the nature of the nitrile, which can cause further analytical and purification issues. Although there were earlier attempts to propose mechanisms for this transformation, the real reaction pathway is still under discussion. A new detailed reaction mechanistic explanation, based on theoretical and experimental proof, is given to augment the former mechanisms, which allowed us to find a more efficient, side-product free procedure. Interpreting the theoretical results obtained, it was shown that the application of specific imidazolium, phosphonium and quaternary ammonium based ionic liquids could decrease simultaneously the reaction time while eliminating the amide side-product, leading to the targeted product selectively. This robust and economic procedure now affords a fast, selective amide free synthesis of amidoximes.
Theoretical and experimental comparison of proton and helium-beam radiography using silicon pixel detectors

Science.gov (United States)

Gehrke, T.; Amato, C.; Berke, S.; Martišíková, M.

2018-02-01

Ion-beam radiography (iRAD) could potentially improve the quality control of ion-beam therapy. The main advantage of iRAD is the possibility to directly measure the integrated stopping power. Until now there is no clinical implementation of iRAD. Topics of ongoing research include developing dedicated detection systems to achieve the desired spatial resolution (SR) and investigating different ion types as imaging radiation. This work focuses on the theoretical and experimental comparison of proton (pRAD) and helium-beam radiography (αRAD). The experimental comparison was performed with an in-house developed detection system consisting of silicon pixel detectors. This system enables the measurement of energy deposition of single ions, their tracking, and the identification of the ion type, which is important for αRAD due to secondary fragments. A 161 mm-thick PMMA phantom with an air gap of 1 mm placed at different depths was imaged with a 168 MeV u-1 proton/helium-ion beam at the Heidelberg ion-beam therapy center. The image quality in terms of SR and contrast-to-noise ratio (CNR) was evaluated. After validating MC simulations against experiments, pRAD and αRAD were compared to carbon-beam radiography (cRAD) in simulations. The theoretical prediction that the CNR of pRAD and αRAD is equal at similar imaging doses was experimentally confirmed. The measured SR of αRAD was 55% better compared to pRAD. The simulated cRads showed the expected improvement in SR and the decreased CNR at the same dose compared to the αRads, however only at dose levels exceeding typical doses of diagnostic x-ray projections. For clinically applicable dose levels, the cRads suffered from an insufficient number of carbon ions per pixel (220 μm × 220 μm). In conclusion, it was theoretically and experimentally shown that αRAD provides a better SR than pRAD without any disadvantages concerning the CNR. Using carbon ions instead of helium ions leads to a better SR at the
Theoretical bases and possibilities of program BRASIER for experimental data fitting and management

International Nuclear Information System (INIS)

Quintero, B.; Santos, J.; Garcia Yip, F.; Lopez, I.

1992-01-01

In the paper the theoretical bases and primary possibilities of the program BRASIER are shown. It was performed for the management and fitting of experimental data. Relevant characteristics are: Utilization of several regression methods, errors treatment, P oint-Drop Technique , multidimensional fitting, friendly interactivity, graphical possibilities and file management. The fact of using various regression methods has resulted in greater convergence possibility with respect to other similar programs that use an unique algorithm
Thermochemistry of sarcosine and sarcosine anhydride: Theoretical and experimental studies

International Nuclear Information System (INIS)

Amaral, Luísa M.P.F.; Santos, Ana Filipa L.O.M.; Ribeiro da Silva, Maria das Dores M.C.; Notario, Rafael

2013-01-01

Highlights: ► Study on the Energetics of the sarcosine and sarcosine anhydride. ► Experimental and computational thermochemistry of sarcosine and its anhydride. ► Ab initio calculations for two amino acid derivatives by G3(MP2)//B3LYP method. -- Abstract: The standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, of sarcosine, −(388.0 ± 1.0) kJ · mol −1 , and sarcosine anhydride, −(334.5 ± 1.6) kJ · mol −1 , were calculated by combining, for each compound, the standard molar enthalpy of formation, in the crystalline phase, and the standard molar enthalpy of sublimation, derived from measurements of the standard massic energies of combustion by static bomb combustion calorimetry, and from measurements of vapour pressures by the Knudsen mass-loss effusion method, respectively. The standard (p o = 0.1 MPa) molar enthalpies, entropies and Gibbs functions of sublimation, at T = 298.15 K, were also calculated. A theoretical study at the G3 and G4 levels has been carried out, and the calculated enthalpies of formation have been compared with the experimental ones
Theoretical Evaluation of Crosslink Density of Chain Extended Polyurethane Networks Based on Hydroxyl Terminated Polybutadiene and Butanediol and Comparison with Experimental Data

Science.gov (United States)

Sekkar, Venkataraman; Alex, Ancy Smitha; Kumar, Vijendra; Bandyopadhyay, G. G.

2018-01-01

Polyurethane networks between hydroxyl terminated polybutadiene (HTPB) and butanediol (BD) were prepared using toluene diisocyanate (TDI) as the curative. HTPB and BD were taken at equivalent ratios viz.: 1:0, 1:1, 1:2, 1:4, and 1:8. Crosslink density (CLD) was theoretically calculated using α-model equations developed by Marsh. CLD for the polyurethane networks was experimentally evaluated from equilibrium swell and stress-strain data. Young's modulus and Mooney-Rivlin approaches were adopted to calculate CLD from stress-strain data. Experimentally obtained CLD values were enormously higher than theoretical values especially at higher BD/HTPB equivalent ratios. The difference in the theoretical and experimental values for CLD was explained in terms of local crystallization due to the formation of hard segments and hydrogen bonded interactions.
Experimental and Theoretical Methods in Algebra, Geometry and Topology

CERN Document Server

Veys, Willem; Bridging Algebra, Geometry, and Topology

2014-01-01

Algebra, geometry and topology cover a variety of different, but intimately related research fields in modern mathematics. This book focuses on specific aspects of this interaction. The present volume contains refereed papers which were presented at the International Conference “Experimental and Theoretical Methods in Algebra, Geometry and Topology”, held in Eforie Nord (near Constanta), Romania, during 20-25 June 2013. The conference was devoted to the 60th anniversary of the distinguished Romanian mathematicians Alexandru Dimca and Ştefan Papadima. The selected papers consist of original research work and a survey paper. They are intended for a large audience, including researchers and graduate students interested in algebraic geometry, combinatorics, topology, hyperplane arrangements and commutative algebra. The papers are written by well-known experts from different fields of mathematics, affiliated to universities from all over the word, they cover a broad range of topics and explore the research f...
Theoretical and experimental investigation of carnosine and its oxygenated adducts. The reaction with the nickel ion

Energy Technology Data Exchange (ETDEWEB)

Pavlos, Dimitrios; Petropouleas, Panayiotis; Hatzipanayioti, Despina, E-mail: stambaki@chem.uoa.gr

2015-11-05

Highlights: • Study on models of neutral cations and anions of carnosine at the B3LYP/TZVP level. • The {sup 1}O{sub 2}-adducts of these models resulted in oxygenated carnosine. • Theoretical parameters correlated to experimental results for carn and carn-H{sub 2}O{sub 2}. • Theoretical models of Nickel-carn complexes have been investigated. • Isolation and characterization of the solid [Ni(carn){sub 2}(H{sub 2}O){sub 5}] have been performed. - Abstract: DFT theoretical calculations at B3LYP/TZVP or LANL2DZ level of theory, for neutral, zwitterions, protonated and anionic carnosine, were performed. Energies, the structural and spectroscopic parameters were calculated in the gas phase and aqueous medium. Additional H-bonds stabilize the ionized forms of carnosine, creating “nests” into which metal ions or bio-molecules may be sheltered. Based on Fukui functions, the reactivity of the abovementioned forms of carnosine, with {sup 1}O{sub 2}, may lead to oxygenated species. The theoretical spectroscopic parameters have been correlated to our experimental results. The effect of H{sub 2}O{sub 2} and the electrochemistry of aqueous carnosine solutions were examined. Theoretical models containing Ni(II), carnosine and water were constructed. In the isolated mauve solid, formulated [Ni(carn){sub 2}(H{sub 2}O){sub 5}], the COO−, N{sub π} and/or NH{sub 2} were bonded. When H{sub 2}O{sub 2} was added, the imidazole NMR signals disappeared. A redox couple clearly indicates one electron process, the electron coming from either the oxidation of imidazole ring or the nickel(II)/Ni(III) couple.
Theoretical and experimental investigation on magneto-hydrodynamics of plasma window

Energy Technology Data Exchange (ETDEWEB)

Wang, S. Z.; Zhu, K., E-mail: zhukun@pku.edu.cn; Huang, S.; Lu, Y. R.; Yuan, Z. X.; Shi, B. L.; Gan, P. P. [State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China); Hershcovitch, A. [Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

2016-01-15

As a new device, plasma window has been designed to use plasma discharge to separate atmosphere from vacuum with high difference of pressure. It has many excellent properties, being able to be used as available passage for ion beam with negligible energy loss, also impervious to radiation damage and thermal damage. Normally beam focusing by accelerators is not that easy to achieve within channel of small cross section. 10 mm diameter plasma window's experimental realization could contribute to its further application in accelerator system. In this paper, 10 mm diameter 60 mm long plasma window has first been designed and managed to generate arc discharge with argon gas experimentally. The result proves that it has the ability to separate at least 28.8 kPa (not the upper limit) from 360 Pa with 50 A direct current and 2.5 kW power supplied. Current increase leads to linear inlet pressure increase obviously, while it has less impact on outlet pressure and voltage, coming to the conclusion that the higher current of plasma discharge, the larger pressure difference it creates. Theoretical analysis of 10 mm diameter plasma window in axis symmetrical configuration using argon also has been provided, in which a numerical 2D FLUENT-based magneto-hydrodynamic simulation model is settled. It has a good agreement with experimental result on voltage and mass flow rate when inlet pressure is increased.
Experimental and theoretical investigation of the magnetization dynamics of an artificial square spin ice cluster

Energy Technology Data Exchange (ETDEWEB)

Pohlit, Merlin, E-mail: pohlit@physik.uni-frankfurt.de; Porrati, Fabrizio; Huth, Michael; Müller, Jens [Institute of Physics, Goethe-University Frankfurt, Frankfurt/Main (Germany); Stockem, Irina; Schröder, Christian [Bielefeld Institute for Applied Materials Research, FH Bielefeld-University of Applied Sciences, Bielefeld (Germany)

2016-10-14

We study the magnetization dynamics of a spin ice cluster which is a building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition both experimentally and theoretically. The spin ice cluster is composed of twelve interacting Co nanoislands grown directly on top of a high-resolution micro-Hall sensor. By employing micromagnetic simulations and a macrospin model, we calculate the magnetization and the experimentally investigated stray field emanating from a single nanoisland. The parameters determined from a comparison with the experimental hysteresis loop are used to derive an effective single-dipole macrospin model that allows us to investigate the dynamics of the spin ice cluster. Our model reproduces the experimentally observed non-deterministic sequences in the magnetization curves as well as the distinct temperature dependence of the hysteresis loop.
Atomic holography with electrons and x-rays: Theoretical and experimental studies

International Nuclear Information System (INIS)

Len, P.M.

1997-06-01

Gabor first proposed holography in 1948 as a means to experimentally record the amplitude and phase of scattered wavefronts, relative to a direct unscattered wave, and to use such a open-quotes hologramclose quotes to directly image atomic structure. But imaging at atomic resolution has not yet been possible in the way he proposed. Much more recently, Szoeke in 1986 noted that photoexcited atoms can emit photoelectron of fluorescent x-ray wavefronts that are scattered by neighboring atoms, thus yielding the direct and scattered wavefronts as detected in the far field that can then be interpreted as holographic in nature. By now, several algorithms for directly reconstructing three-dimensional atomic images from electron holograms have been proposed (e.g. by Barton) and successfully tested against experiment and theory. Very recently, Tegze and Faigel, and Grog et al. have recorded experimental x-ray fluorescence holograms, and these are found to yield atomic images that are more free of the kinds of aberrations caused by the non-ideal emission or scattering of electrons. The basic principles of these holographic atomic imaging methods are reviewed, including illustrative applications of the reconstruction algorithms to both theoretical and experimental electron and x-ray holograms. The author also discusses the prospects and limitations of these newly emerging atomic structural probes
A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of {alpha}-tetrathiophene

Energy Technology Data Exchange (ETDEWEB)

Aleman, Carlos [Departament d' Enginyeria Quimica, E.T.S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.es; Oliver, Ramon [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain); Brillas, Enric [Departament de Quimica Fisica, Facultat de Quimica, Universitat de Barcelona, Marti i Franques 1, Barcelona E-08028 (Spain); Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida E-25001 (Spain); Estrany, Francesc [Unitat de Quimica Industrial, E.U.E. Tecnica Industrial de Barcelona, Universitat Politecnica de Catalunya, Comte d' Urgell 187, Barcelona E-08036 (Spain)], E-mail: francesc.estrany@upc.es

2005-07-18

This work presents an experimental and theoretical investigation about the influence of the dopant in the electropolymerization of {alpha}-tetrathiophene. Adherent, insoluble, and black polymeric films were obtained in the presence of LiClO{sub 4}, while no evidence about the formation of polymer was detected with LiCl and LiBr electrolytes. On the other hand, quantum mechanical calculations based on the density functional theory were performed on 1:1 charge-transfer complexes formed by {alpha}-tetrathiophene and X = ClO{sub 4}, Cl or Br. The consistency between experimental and theoretical results is discussed.
Theoretical and experimental study of a small unit for solar desalination using flashing process

International Nuclear Information System (INIS)

Nafey, A. Safwat; Mohamad, M.A.; El-Helaby, S.O.; Sharaf, M.A.

2007-01-01

A small unit for water desalination by solar energy and a flash evaporation process is investigated. The system is built at the Faculty of Petroleum and Mining Engineering at Suez, Egypt. The system consists of a solar water heater (flat plate solar collector) working as a brine heater and a vertical flash unit that is attached with a condenser/preheater unit. In this work, the system is investigated theoretically and experimentally at different real environmental conditions along Julian days of one year (2005). A mathematical model is developed to calculate the productivity of the system under different operating conditions. The BIRD's model for the calculation of solar insolation is used to predict the solar insolation instantaneously. Also, the solar insolation is measured by a highly sensitive digital pyranometer. Comparison between the theoretical and experimental results is performed. The average accumulative productivity of the system in November, December and January ranged between 1.04 to 1.45 kg/day/m 2 . The average summer productivity ranged between 5.44 to 7 kg/day/m 2 in July and August and 4.2 to 5 kg/day/m 2 in June
Theoretical and experimental study of a small unit for solar desalination using flashing process

Energy Technology Data Exchange (ETDEWEB)

Nafey, A. Safwat; El-Helaby, S.O.; Sharaf, M.A. [Department of Engineering Science, Faculty of Petroleum and Mining Engineering, Suez Canal University, Suez 43522 (Egypt); Mohamad, M.A. [Solar Energy Department, National Research Center, Cairo (Egypt)

2007-02-15

A small unit for water desalination by solar energy and a flash evaporation process is investigated. The system is built at the Faculty of Petroleum and Mining Engineering at Suez, Egypt. The system consists of a solar water heater (flat plate solar collector) working as a brine heater and a vertical flash unit that is attached with a condenser/preheater unit. In this work, the system is investigated theoretically and experimentally at different real environmental conditions along Julian days of one year (2005). A mathematical model is developed to calculate the productivity of the system under different operating conditions. The BIRD's model for the calculation of solar insolation is used to predict the solar insolation instantaneously. Also, the solar insolation is measured by a highly sensitive digital pyranometer. Comparison between the theoretical and experimental results is performed. The average accumulative productivity of the system in November, December and January ranged between 1.04 to 1.45 kg/day/m{sup 2}. The average summer productivity ranged between 5.44 to 7 kg/day/m{sup 2} in July and August and 4.2 to 5 kg/day/m{sup 2} in June. (author)
An approach to correlate experimental and theoretical thermal conductivity of MWNT/PMMA polymer composites

International Nuclear Information System (INIS)

Verma, M; Patidar, D; Sharma, K B; Saxena, N S

2015-01-01

In this paper an effort is made to correlate temperature dependent effective thermal conductivity measured by experimental method to theoretical results obtained from different models. MWNT/PMMA polymer nanocomposites were prepared by solution casting method, with different wt% of MWNT (0, 0.05, 0.1, 0.2, 0.3, 0.5, 1, 5, 10 wt%) dispersed in the PMMA matrix. The effective thermal conductivity from 30 °C to 110 °C is measured by Hot Disk Thermal Constant Analyser, based on transient plane source technique. Experimental study reveals that effective thermal conductivity increases with increasing concentration of MWNT in PMMA and increases exponentially at high temperatures for high (5, 10) wt% samples. This behavior of effective thermal conductivity is explained in terms of the interactions between polymer–MWNT and MWNT–MWNT. Consequently these results were found to be in agreement with theoretical models such as Series, Parallel, Lewis/Neilson and empirical formula. The discrepancy found in Lewis/Neilson model at high temperature for high wt% of MWNT in PMMA is due to some change in values of parameters incorporated in the model. (paper)
Theoretical and Experimental Study on Vibration Propagation in PMMA Components in Ultrasonic Bonding Process

Directory of Open Access Journals (Sweden)

Yibo Sun

2017-03-01

Full Text Available Ultrasonic bonding has an increasing application in the micro assembly of polymeric micro-electro mechanical systems (MEMS with high requirements for fusion precision. In the ultrasonic bonding process, the propagation of ultrasonic vibration in polymer components is related to the interfacial fusion, which can be used as a monitoring parameter to control ultrasonic energy. To study the vibration propagation in viscoelastic polymer components, finite element analysis on the bonding of poly methyl methacrylate (PMMA micro connector to substrate for microfluidic system is carried out. Curves of propagated vibration amplitude corresponding to interfacial temperatures are obtained. The ultrasonic vibration propagated in PMMA components are measured through experiments. The theoretical and experimental results are contrasted to analyze the change mechanism of vibration propagation related to temperature. Based on the ultrasonic bonding process controlled by the feedback of vibration propagation, interfacial fusions at different vibration propagation states are obtained through experiments. Interfacial fusion behavior is contrasted to the propagated vibration amplitude in theoretical and experimental studies. The relation between vibration propagation and fusion degree is established with the proper parameter range for the obtained high quality bonding.
Phosphonic drugs: Experimental and theoretical spectroscopic studies of fosfomycin

Science.gov (United States)

Chruszcz-Lipska, Katarzyna; Zborowski, Krzysztof K.; Podstawka-Proniewicz, Edyta; Liu, Shaoxuan; Xu, Yizhuang; Proniewicz, Leonard M.

2011-02-01

pH and time-dependant changes of fosfomycin molecular structure in an aqueous solution are studied by Raman, NMR, and generalized 2D correlation spectroscopies. Interpretation of the experimental spectra is based on the assumption of formation of different species running on applied physicochemical conditions. Geometries of all possible structures were entirely optimized with the 6-311++G(2df,p) basis set at the B3LYP theoretical level using procedures implemented in the Gaussian '03 set of programs. Harmonic frequency calculations verified the nature of the studied structures and allowed to simulate obtained Raman spectra. The theoretical NMR shielding was calculated using the GIAO method at the same computational level. In addition, in some cases PCM model was used to monitor the influence of water molecules on the NMR spectra. It is shown that in the pH range of 1-2 of fosfomycin aqueous solution oxirane ring is open sequent to nucleophilic attack and forms 1,2-dihydroxyphosphonic acid with small content of its monodeprotonated species. On the other hand, in pH 7 and higher it appears either as 1,2-epoxypropylphosphonic or 1,2-dihydroxyphosphonic dianion depending upon whether hydrolysis took place or not. It is also discussed that Raman marker bands originating from the individual species of fosfomycin can be used to detect and/or to monitor this antibiotic in an aqueous medium (for example urine samples). Hence, depending upon the structure found in urine one can tell about metabolic processes of this antibiotic in the body.
Dramatic nondipole effects in low-energy photoionization: Experimental and theoretical study of Xe 5s

International Nuclear Information System (INIS)

Hemmers, O.; Lindle, D.W.; Baker, J.; Hudson, A.; Lotrakul, M.; Tran, I.C.; Guillemin, R.; Stolte, W.C.; Wolska, A.; Yu, S.W.; Kanter, E.P.; Kraessig, B.; Southworth, S.H.; Wehlitz, R.; Rolles, D.; Amusia, M.Ya.; Cheng, K.T.; Chernysheva, L.V.; Johnson, W.R.; Manson, S.T.

2003-01-01

The Xe 5s nondipole photoelectron parameter γ is obtained experimentally and theoretically from threshold to ∼200 eV photon energy. Significant nondipole effects are seen even in the threshold region of this valence shell photoionization. In addition, contrary to previous understanding, clear evidence of interchannel coupling among quadrupole photoionization channels is found
Experimental and theoretical studies of perceptible color fading of decorative paints consisting of mixed pigments

International Nuclear Information System (INIS)

Auger, Jean-Claude; McLoughlin, Daragh

2017-01-01

We study the color fading of paints films composed of mixtures of white rutile titanium dioxide and yellow arylide pigments dispersed in two polymer binders at different volume concentrations. The samples were exposed to ultraviolet radiations in an accelerated weathering tester during three weeks. The measured patterns in color variations appeared to be independent of the chemistry of the binders. We then developed a theoretical framework, based on the Radiative transfer Equation of light and the One Particle T-Matrix formalism to simulate the color fading process. The loss of color is correlated to the progressive decrease of the original colored pigment volume-filling fraction as the destructive UV radiations penetrate deeper into the films. The calculated patterns of color variations of paints film composed by mixtures of white pigments with yellow Cadmium Sulfate (CdS) and red Cerium Sulfide (Ce_2S_3) pigments showed the same trend as that seen experimentally. - Highlights: • Theoretical framework to simulate color-fading process of paints. • Good comparison between simulation and experimental data. • Color Fading depends on total amount of perceptible pigments.

Experimental and theoretical study on field emission properties of zinc oxide nanoparticles decorated carbon nanotubes

International Nuclear Information System (INIS)

Li Xin; Zhou Wei-Man; Liu Wei-Hua; Wang Xiao-Li

2015-01-01

Field emission properties of zinc oxide (ZnO) nanoparticles (NPs) decorated carbon nanotubes (CNTs) are investigated experimentally and theoretically. CNTs are in situ decorated with ZnO NPs during the growth process by chemical vapor deposition using a carbon source from the iron phthalocyanine pyrolysis. The experimental field emission test shows that the ZnO NP decoration significantly improves the emission current from 50 μA to 275 μA at 550 V and the reduced threshold voltage from 450 V to 350 V. The field emission mechanism of ZnO NPs on CNTs is theoretically studied by the density functional theory (DFT) combined with the Penn–Plummer method. The ZnO NPs reconstruct the ZnO–CNT structure and pull down the surface barrier of the entire emitter system to 0.49 eV so as to reduce the threshold electric field. The simulation results suggest that the presence of ZnO NPs would increase the LDOS near the Fermi level and increase the emission current. The calculation results are consistent with the experiment results. (paper)
Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells.

Science.gov (United States)

Kuklja, M M; Kotomin, E A; Merkle, R; Mastrikov, Yu A; Maier, J

2013-04-21

Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980's as these devices open the way for ecologically clean direct conversion of the chemical energy into electricity, avoiding the efficiency limitation by Carnot's cycle for thermochemical conversion. However, the practical development of SOFC faces a number of unresolved fundamental problems, in particular concerning the kinetics of the electrode reactions, especially oxygen reduction reaction. We review recent experimental and theoretical achievements in the current understanding of the cathode performance by exploring and comparing mostly three materials: (La,Sr)MnO3 (LSM), (La,Sr)(Co,Fe)O3 (LSCF) and (Ba,Sr)(Co,Fe)O3 (BSCF). Special attention is paid to a critical evaluation of advantages and disadvantages of BSCF, which shows the best cathode kinetics known so far for oxides. We demonstrate that it is the combined experimental and theoretical analysis of all major elementary steps of the oxygen reduction reaction which allows us to predict the rate determining steps for a given material under specific operational conditions and thus control and improve SOFC performance.
Experimental validation of a theoretical model for a direct-expansion solar-assisted heat pump applied to heating

International Nuclear Information System (INIS)

Moreno-Rodriguez, A.; Garcia-Hernando, N.; González-Gil, A.; Izquierdo, M.

2013-01-01

This paper discusses the experimental validation of a theoretical model that determines the operating parameters of a DXSAHP (direct-expansion solar-assisted heat pump) applied to heating. For this application, the model took into account the variable condensing temperature, and it was developed from the following environmental variables: outdoor temperature, solar radiation and wind. The experimental data were obtained from a prototype installed at the University Carlos III, which is located south of Madrid. The prototype uses a solar collector with a total area of 5.6 m 2 , a compressor with a rated capacity of 1100 W, a thermostatic expansion valve and fan-coil units as indoor terminals. The monitoring results were analyzed for several typical days in the climatic zone where the machine was located to understand the equipment's seasonal behavior. The experimental coefficient of the performance varies between 1.9 and 2.7, and the equipment behavior in extreme outdoor conditions has also been known to determine the thermal demand that can be compensated for. - Highlights: • The study aims to present an experimental validation of a theoretical model. • The experimental COP can vary between 1.9 and 2.7 (max. condensation temperature 59 °C). • A “dragging term” relates condensation and evaporation temperature. • The operating parameters respond to the solar radiation. The COP may increase up to 25%
FT-Raman and FTIR spectra of photoactive aminobenzazole derivatives in the solid state: A combined experimental and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Alves, Rodrigo Martins [Universidade Federal do Pampa, Campus Bagé, Grupo de Pesquisa em Espectroscopia de Materiais Fotônicos, 96400-970 Bagé, RS (Brazil); Rodembusch, Fabiano Severo [Universidade Federal do Rio Grande do Sul, Grupo de Pesquisa em Fotoquímica Orgânica Aplicada, Av. Bento Gonçalves 9500, CEP 91501-970 Porto Alegre, RS (Brazil); Habis, Charles [Northern Virginia Community College, Manassas, VA (United States); Moreira, Eduardo Ceretta, E-mail: eduardomoreira@unipampa.edu.br [Universidade Federal do Pampa, Campus Bagé, Grupo de Pesquisa em Espectroscopia de Materiais Fotônicos, 96400-970 Bagé, RS (Brazil)

2014-12-15

This study reports the experimental investigation of two photoactive aminobenzazole derivatives in the solid state by FT-Raman and Infrared Spectroscopies (FTIR) and its comparison with theoretical models. The optimized molecular structure, vibrational frequencies, and corresponding vibrational assignments of these compounds have been investigated experimentally and theoretically using Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) and Gaussian03 Software Package. The FT-Raman and FTIR spectra were acquired with high resolution and emission frequencies identified by simulating the vibrational modes. The most intense peak observed in the FT-Raman spectra is the in-plane deformation vibrational of O–H bond that could be related to the vibrational region responsible for the stabilization of the enol conformer in the ground state which undergoes ESIPT to form a keto tautomer in the excited state. Additionally, the position of the amino group played an important role on the vibrational characteristics of the studied compounds. Also, the simulations proved to be a good approach in undertaking the FTIR and FT-Raman experiments. The use of graphic correlations helps us to determine the method and basis that best fit the experimental results. - Highlights: • Structural and vibrational properties of two aminobenzazoles were reported. • Comparison between experimental techniques and theoretical models. • The position of the amino group played an important role on the vibrational characteristics of the studied compounds.
Experimental and theoretical study of plasma-water interaction in electrothermal guns

International Nuclear Information System (INIS)

Arensburg, Alex.

1993-05-01

This thesis comprises an experimental and theoretical study of the plasma- jet-water interaction in electrothermal guns. In the present work the plasma jet was produced by high current pulsed discharge in a plasma injector consisting of polyethylene capillary, closed at one end by a metallic anode and supported at the other end with a hollow cathode. A thin aluminium fuse placed inside the capillary and connecting both electrodes, provided an initial conducting element. A pulse forming network delivering a high current pulse through the fuse, exploded it and produced an aluminium plasma. Subsequently, ablation of the capillary wall begun as a result of its exposure to radiation from the fuse plasma. The ablation products were heated by the pulse current until ionized, replacing the fuse plasma by a polyethylene plasma thus sustaining the ablation process. The experimental investigation reported here used x-ray shadowgraphy to observe the plasma-working fluid interaction process. The working fluid was an aqueous solution of 92% water and 8% lead acetate gelatinized with agar. The penetration of the plasma jet into the working fluid was exposed on films at successive time intervals by means of x-ray shadowgraphy. When the water interacts with the plasma it also ablated. This ablation rate was estimated from energy conservation considerations. Peak pressures up to 3.5*10 8 Pa were measured during the process. At such pressure water does not undergo phase transformation when heated. Thus the mass density at the plasma water interface should be regarded as a continuous function of temperature. The determination of the temperature profile at the interface between the capillary plasma and the water requires the solution of the heat transfer and radiative transfer equations under ablation conditions. This constituted the main theoretical part of the present work. 36 refs., 4 tabs., 29 figs
An experimental and theoretical study of decentralized gas fired liquid heating

Energy Technology Data Exchange (ETDEWEB)

Christensen, Rolf

1996-12-01

The effects on the energy situation in industry when gas fired liquid heaters replace steam have been determined by energy surveys performed in a brewery and a slaughterhouse, measurements of the performance and emissions from liquid heaters installed in these industries, and theoretical analyses of the potential energy. The theoretical study in the first part of the project provides information that allows assessment of the effects on the energy situation, of a part or complete conversion to decentralized heating, under the conditions prevailing in the industries concerned. The second part of the project focused on increasing the liquid heater efficiency and reducing emissions of carbon monoxide and hydrocarbons. Heat transfer and pressure drop for a corrugated tube was investigated experimentally. Empirical correlations for heat transfer and pressure drop for a corrugated tube were developed. These correlations were used in the design model that was developed within this project. The design model was validated against experimental data and data from an industrial application, where a section of the smooth heat exchanger tube was replaced with a corrugated tube. The results show that the design model predicts the outlet flue gas temperature and the heater efficiency quite accurately. The wall temperature at the first corrugation is also predicted with reasonable accuracy. These results make it possible to calculate the location where a corrugated tube can be inserted without causing subcooled boiling or severe fouling. It is shown that emissions of carbon monoxide and hydrocarbons can be held at low levels, even when conventional industrial burners are used. The use of nozzles that produce long soft flames increase the risk for large emissions of hydrocarbons and carbon monoxide. 125 refs, 89 figs, 16 tabs
Theoretical and experimental study of the vibrational excitations in ethane monolayers adsorbed on graphite (0001) surfaces

DEFF Research Database (Denmark)

Hansen, Flemming Yssing; Taub, H.

1987-01-01

The collective vibrational excitations of two different crystalline monolayer phases of ethane (C2H6) adsorbed on the graphite (0001) surface have been investigated theoretically and experimentally. The monolayer phases studied are the commensurate 7/8 ×4 structure in which the ethane molecules lie...
Theoretical and experimental study of non-monotonous effects

International Nuclear Information System (INIS)

Delforge, J.

1977-01-01

In recent years, the study of the effects of low dose rates has expanded considerably, especially in connection with current problems concerning the environment and health physics. After having made a precise definition of the different types of non-monotonous effect which may be encountered, for each the main experimental results known are indicated, as well as the principal consequences which may be expected. One example is the case of radiotherapy, where there is a chance of finding irradiation conditions such that the ratio of destructive action on malignant cells to healthy cells is significantly improved. In the second part of the report, the appearance of these phenomena, especially at low dose rates are explained. For this purpose, the theory of transformation systems of P. Delattre is used as a theoretical framework. With the help of a specific example, it is shown that non-monotonous effects are frequently encountered, especially when the overall effect observed is actually the sum of several different elementary effects (e.g. in survival curves, where death may be due to several different causes), or when the objects studied possess inherent kinetics not limited to restoration phenomena alone (e.g. cellular cycle) [fr
An experimental and theoretical investigation of creep buckling

International Nuclear Information System (INIS)

Ohya, H.

1977-01-01

Creep buckling is one of the failure modes which must be taken into consideration for the design of structures exposed to elevated temperatures. And, rules are provided in ASME Boiler and Pressure Vessel Code Case 1592 to prevent the creep buckling. However, methods of analysis are not provided in Code Case, and selecting the methods of analysis is left to owners and manufacturers. The purpose of the present paper is to investigate creep buckling phenomena and the methods of analysis. Creep buckling experiments were performed on aluminum alloy 2024-T4 cylindrical shells having radius to thickness ratios of 16, 25, 50 and 80, in single, double and triple step axial compression at 250 0 C. It was observed that buckling occurred at one of the edges and the buckling mode depended on the radius to thickness ratio and also on the applied stress level. Thicker cylinders buckled in axisymmetric mode. Thinner ones under higher applied stress levels buckled in the asymmetric mode, whereas under lower applied stress levels they buckled in the axisymmetric mode. Creep buckling times were obtained from end shortening record of the cylinders. Experimental results were compared with theoretical values obtained by two methods. (Auth.)
Combined experimental and theoretical investigations of the photoluminescent behavior of Ba(Ti, Zr)O3 thin films

International Nuclear Information System (INIS)

Cavalcante, L.S.; Gurgel, M.F.C.; Paris, E.C.; Simoes, A.Z.; Joya, M.R.; Varela, J.A.; Pizani, P.S.; Longo, E.

2007-01-01

The correlation between experimental data and theoretical calculations have been investigated to explain the photoluminescence at room temperature of Ba(Ti 0.75 Zr 0.25 )O 3 (BTZ) thin films prepared by the polymeric precursor method. The degree of structural order-disorder was investigated by X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy and photoluminescence (PL) measurements. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models. The electronic properties are analyzed and the relevance of the present theoretical and experimental results on the PL behavior is discussed. The presence of localized electronic levels and a charge gradient in the band gap due to a break in symmetry, are responsible for the PL in disordered BTZ lattice
MHD activity in the ISX-B tokamak: experimental results and theoretical interpretation

Energy Technology Data Exchange (ETDEWEB)

Carreras, B.A.; Dunlap, J.L.; Bell, J.D.; Charlton, L.A.; Cooper, W.A.; Dory, R.A.; Hender, T.C.; Hicks, H.R.; Holmes, J.A.; Lynch, V.E.

1982-01-01

The observed spectrum of MHD fluctuations in the ISX-B tokamak is clearly dominated by the n=1 mode when the q=1 surface is in the plasma. This fact agrees well with theoretical predictions based on 3-D resistive MHD calculations. They show that the (m=1; n=1) mode is then the dominant instability. It drives other n=1 modes through toroidal coupling and n>1 modes through nonlinear couplings. These theoretically predicted mode structures have been compared in detail with the experimentally measured wave forms (using arrays of soft x-ray detectors). The agreement is excellent. More detailed comparisons between theory and experiment have required careful reconstructions of the ISX-B equilibria. The equilibria so constructed have permitted a precise evaluation of the ideal MHD stability properties of ISX-B. The present results indicate that the high ..beta.. ISX-B equilibria are marginally stable to finite eta ideal MHD modes. The resistive MHD calculations also show that at finite ..beta.. there are unstable resistive pressure driven modes.
EXPERIMENTAL AND THEORETICAL FOUNDATIONS AND PRACTICAL IMPLEMENTATION OF TECHNOLOGY BRAIN-COMPUTER INTERFACE

Directory of Open Access Journals (Sweden)

A. Ya. Kaplan

2013-01-01

Full Text Available Technology brain-computer interface (BCI allow saperson to learn how to control external devices via thevoluntary regulation of own EEG directly from the brain without the involvement in the process of nerves and muscles. At the beginning the main goal of BCI was to replace or restore motor function to people disabled by neuromuscular disorders. Currently, the task of designing the BCI increased significantly, more capturing different aspects of life a healthy person. This article discusses the theoretical, experimental and technological base of BCI development and systematized critical fields of real implementation of these technologies.
Experimental and theoretical investigation of mechanical disturbances in epoxy-impregnated superconducting coils

International Nuclear Information System (INIS)

Iwasa, Y.; Bobrov, E.S.; Tsukamoto, O.; Takaghi, T.; Fujita, H.; Massachusetts Inst. of Tech., Cambridge

1985-01-01

The theoretical correlation between shear stress and epoxy resin fracture developed in an earlier paper was verified experimentally using a series of epoxy-impregnated, thin-walled superconducting test coils. In test coils with both ends rigidly clamped, cracks occurred as transport current was increased; during a training sequence the test was terminated by a premature quench. Using acoustic emission and voltage signals, each premature quench was linked directly to a crack occurring near one of the ends. Test coils which had both ends unsupported, giving the winding freedom to expand radially, did not experience epoxy fracture and showed no premature quenches. (author)
2000 CKM-triangle analysis a critical review with updated experimental inputs and theoretical parameters

International Nuclear Information System (INIS)

Roudeau, P.; Stocchi, A.; Ciuchini, M.; Lubicz, V.; D'Agostini, G.; Franco, E.; Martinelli, G.; Parodi, F.

2000-12-01

Within the Standard Model, a review of the current determination of the sides and angles of the CKM unitarity triangle is presented, using experimental constraints from the measurements of |ε K |, |V ub /V cb |, Δm d and from the limit on Δm s , available in September 2000. Results from the experimental search for B 0 s -B-bar 0 s oscillations are introduced in the present analysis using the likelihood. Special attention is devoted to the determination of the theoretical uncertainties. The purpose of the analysis is to infer regions where the parameters of interest lie with given probabilities. The BaBar '95% C.L. scanning' method is also commented. (authors)
Experimental and theoretical study of the operation of longitudinal sidewalls in reinforced concrete superstructures

Science.gov (United States)

Bokarev, Sergey; Efimov, Stefan

2017-11-01

In the present article, we report results of a laboratory experimental study of reinforced-concrete superstructure fragments with extended longitudinal boxing sidewalls. The study included laboratory tests and numerical experiments performed using a finite element model of fragments generated in specialized simulation software. The distribution of horizontal pressures over the height of longitudinal boxing sidewalls, the dependence of the bending moment in the root section of the sidewalls on the ballast-bed thickness under sleepers, and some other characteristics were examined. The results of the experimental and theoretical study have shown a good convergence of obtained data to each other and to the data obtained by an improved engineering calculation procedure proposed by the present authors.
Photoelectron Angular Distributions of Transition Metal Dioxide Anions - a joint experimental and theoretical study

Science.gov (United States)

Iordanov, Ivan; Gunaratne, Dasitha; Harmon, Christopher; Sofo, Jorge; Castleman, A. W., Jr.

2012-02-01

Angular-resolved photoelectron spectroscopy (PES) studies of the MO2- (M=Ti, Zr, Hf, Co, Rh) clusters are presented for the first time along with theoretical calculations of their properties. We confirm previously reported non-angular PES results for the vertical detachment energies (VDE), vibrational energies and geometric structures of these clusters and further explore the effect of the 'lanthanide contraction' on the MO2- clusters by comparing the electronic spectra of 4d and 5d transition metal dioxides. Angular-resolved PES provides the angular momentum contributions to the HOMO of these clusters and we use theoretical calculations to examine the HOMO and compare to our experimental results. First-principles calculations are done using both density functional theory (DFT) and the coupled-cluster, singles, doubles and triples (CCSD(T)) methods.
Experimental and theoretical analysis of integrated circuit (IC) chips on flexible substrates subjected to bending

Science.gov (United States)

Chen, Ying; Yuan, Jianghong; Zhang, Yingchao; Huang, Yonggang; Feng, Xue

2017-10-01

The interfacial failure of integrated circuit (IC) chips integrated on flexible substrates under bending deformation has been studied theoretically and experimentally. A compressive buckling test is used to impose the bending deformation onto the interface between the IC chip and the flexible substrate quantitatively, after which the failed interface is investigated using scanning electron microscopy. A theoretical model is established based on the beam theory and a bi-layer interface model, from which an analytical expression of the critical curvature in relation to the interfacial failure is obtained. The relationships between the critical curvature, the material, and the geometric parameters of the device are discussed in detail, providing guidance for future optimization flexible circuits based on IC chips.
An experimental and theoretical investigation into the excited electronic states of phenol

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B.; Chiari, L. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Lopes, M. C. A. [Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

2014-08-21

We present experimental electron-energy loss spectra (EELS) that were measured at impact energies of 20 and 30 eV and at angles of 90° and 10°, respectively, with energy resolution ∼70 meV. EELS for 250 eV incident electron energy over a range of angles between 3° and 50° have also been measured at a moderate energy resolution (∼0.9 eV). The latter spectra were used to derive differential cross sections and generalised oscillator strengths (GOS) for the dipole-allowed electronic transitions, through normalization to data for elastic electron scattering from benzene. Theoretical calculations were performed using time-dependent density functional theory and single-excitation configuration interaction methods. These calculations were used to assign the experimentally measured spectra. Calculated optical oscillator strengths were also compared to those derived from the GOS data. This provides the first investigation of all singlet and triplet excited electronic states of phenol up to the first ionization potential.
Theoretical and experimental investigations of the thermo-hydraulics of deformed wire-wrapped bundles in nominal flow conditions

International Nuclear Information System (INIS)

Leteinturier, D.; Cartier, L.

1979-01-01

Theoretical and experimental studies undertaken in CEN Cadarache on deformed subassemblies are presented. After the mainlines description of this program first temperature distribution results are given on an in-pile experiment in RAPSODIE (61 pins). Comparison with calculation is made
An experimental and theoretical investigation of the mechanical behavior of multilayer initially curved microplates under electrostatic actuation

KAUST Repository

Saghir, Shahid; Ilyas, Saad; Jaber, Nizar; Younis, Mohammad I.

2017-01-01

of the microplate. We compare the theoretical results with experimental data and show excellent agreement among the results. We also examine the effect of the initial rise on the natural frequencies of first three symmetric-symmetric modes of the plate.

High-pressure structural behavior of the double perovskite Sr2CrReO6: an experimental and theoretical study

DEFF Research Database (Denmark)

Olsen, J.S.; Gerward, Leif; Vaitheeswaran, G.

2009-01-01

The high-pressure structural behavior of Sr2CrReO6 has been studied experimentally using synchrotron radiation and the diamond anvil cell and theoretically using density functional theory. The experimental zero-pressure bulk modulus is B0=1704GPa and the pressure derivative is B0'=4.71.0. These r...
Experimental and theoretical contributions to X-ray phase-contrast techniques for medical imaging

International Nuclear Information System (INIS)

Diemoz, P.C.

2011-01-01

Several X-ray phase-contrast techniques have recently been developed. Unlike conventional X-ray methods, which measure the absorption properties of the tissues, these techniques derive contrast also from the modulation of the phase produced by the sample. Since the phase shift can be significant even for small details characterized by weak or absent absorption, the achievable image contrast can be greatly increased, notably for the soft biological tissues. These methods are therefore very promising for applications in the medical domain. The aim of this work is to contribute to a deeper understanding of these techniques, in particular propagation-based imaging (PBI), analyzer-based imaging (ABI) and grating interferometry (GIFM), and to study their potential and the best practical implementation for medical imaging applications. An important part of this work is dedicated to the use of mathematical algorithms for the extraction, from the acquired images, of quantitative sample information (the absorption, refraction and scattering sample properties). In particular, five among the most known algorithms based on the geometrical optics approximation have been theoretically analysed and experimentally compared, in planar and tomographic modalities, by using geometrical phantoms and human bone-cartilage and breast samples. A semi-quantitative method for the acquisition and reconstruction of tomographic images in the ABI and GIFM techniques has also been proposed. The validity conditions are analyzed in detail and the method, enabling a considerable simplification of the imaging procedure, has been experimentally checked on phantoms and human samples. Finally, a theoretical and experimental comparison of the PBI, ABI and GIFM techniques is presented. The advantages and drawbacks of each of these techniques are discussed. The results obtained from this analysis can be very useful for determining the most adapted technique for a given application. (author)
Theoretical and experimental studies on a magnetorheological brake operating under compression plus shear mode

International Nuclear Information System (INIS)

Sarkar, C; Hirani, H

2013-01-01

The torque characteristics of magnetorheological brakes, consisting of rotating disks immersed in a MR fluid and enclosed in an electromagnetic casing, are controlled by regulating the yield stress of the MR fluid. An increase in yield stress increases the braking torque, which means that the higher the yield strength of the MR fluid, the better the performance of the MR brake will be. In the present research an application of compressive force on MR fluid has been proposed to increase the torque capacity of MR brakes. The mathematical expressions to estimate the torque values for MR brake, operating under compression plus shear mode accounting Herschel–Bulkley shear thinning model, have been detailed. The required compressive force on MR fluid of the proposed brake has been applied using an electromagnetic actuator. The development of a single-plate MR disk brake and an experimental test rig are described. Experiments have been performed to illustrate braking torque under different control currents (0.0–2.0 A). The torque results have been plotted and compared with theoretical study. Experimental results as well as theoretical calculations indicate that the braking torque of the proposed MR brake is higher than that of the MR brake operating only under shear. (paper)
A Theoretical-Experimental Comparison of an Improved Ammonia-Water Bubble Absorber by Means of a Helical Static Mixer

Directory of Open Access Journals (Sweden)

Jesús Cerezo

2017-12-01

Full Text Available The heat transfer in double pipe heat exchangers is very poor. This complicates its application in absorption cooling systems, however, the implementation of simple passive techniques should help to increase the heat and mass transfer mainly in the absorber. This paper carried out a simulation and its experimental comparison of a NH3-H2O bubble absorption process using a double tube heat exchanger with a helical screw static mixer in both central and annular sides. The experimental results showed that the absorption heat load per area is 31.61% higher with the helical screw mixer than the smooth tube. The theoretical and experimental comparison showed that the absorption heat load difference values were 28.0 and 21.9% for smooth tube and the helical mixer, respectively. These difference values were caused by the calculation of the log mean temperature difference in equilibrium conditions to avoid the overlap of solution temperatures. Therefore, the theoretical and experimental results should be improved when the absorption heat is included in the heat transfer equation or avoiding the operation condition when output is lower than input solution temperature.
Theoretical and experimental study of electroporation of red blood cells using MEMS technology

KAUST Repository

Deng, Peigang; Yin, Guangyao; Zhang, Tong Yi; Chang, Donald C.; Lee, Yi Kuen

2010-01-01

A theoretical and experimental study of electroporation (EP) of red blood cells (RBCs) was presented in this paper. With additional strain energy, an energy-based model of an electropore induced on a RBC's membrane at different electric fields was proposed to predict the critical EP electric field strength. In addition, EP experiments with red blood cells at single-cell level was carried out on a micro EP chip. The measured critical EP electric field strengths are in agreement with the numerical predictions. ©2010 IEEE.
Theoretical and experimental study of electroporation of red blood cells using MEMS technology

KAUST Repository

Deng, Peigang

2010-01-01

A theoretical and experimental study of electroporation (EP) of red blood cells (RBCs) was presented in this paper. With additional strain energy, an energy-based model of an electropore induced on a RBC\\'s membrane at different electric fields was proposed to predict the critical EP electric field strength. In addition, EP experiments with red blood cells at single-cell level was carried out on a micro EP chip. The measured critical EP electric field strengths are in agreement with the numerical predictions. ©2010 IEEE.
In-medium short-range dynamics of nucleons: Recent theoretical and experimental advances

Energy Technology Data Exchange (ETDEWEB)

Atti, Claudio Ciofi degli, E-mail: ciofi@pg.infn.it

2015-08-14

The investigation of in-medium short-range dynamics of nucleons, usually referred to as the study of short-range correlations (SRCs), is a key issue in nuclear and hadronic physics. As a matter of fact, even in the simplified assumption that the nucleus could be described as a system of protons and neutrons interacting via effective nucleon–nucleon (NN) interactions, several non trivial problems arise concerning the description of in-medium (NN short-range dynamics, namely: (i) the behavior of the NN interaction at short inter-nucleon distances in medium cannot be uniquely constrained by the experimental NN scattering phase shifts due to off-shell effects; (ii) by rigorous renormalization group (RG) techniques entire families of phase equivalent interactions differing in the short-range part can be derived; (iii) the in-medium NN interaction may be, in principle, different from the free one; (iv) when the short inter-nucleon separation is of the order of the nucleon size, the question arises of possible effects from quark and gluon degrees of freedom. For more than fifty years, experimental evidence of SRCs has been searched by means of various kinds of nuclear reactions, without however convincing results, mainly because the effects of SRCs arise from non observable quantities, like, e.g., the momentum distributions, and have been extracted from observable cross sections where short- and long-range effects, effects from nucleonic and non nucleonic degrees of freedom, and effects from final state interaction, could not be unambiguously separated out. Recent years, however, were witness of new progress in the field: from one side, theoretical and computational progress has allowed one to solve ab initio the many-nucleon non relativistic Schrödinger equation in terms of realistic NN interactions, obtaining realistic microscopic wave functions, unless the case of parametrized wave functions used frequently in the past, moreover the development of advanced
Absorption of negative pions resting on nuclei of the 1p layer. Theoretical and experimental aspects

International Nuclear Information System (INIS)

Coupat, Bernard

1981-01-01

As the probability of capture of π- resting on 12 C with emission of a single proton which has been measured on the Saclay Linear Accelerator (ALS), is relatively high, it was obvious that this reaction type was based on a mechanism involving two nucleons. Due to the lack of theoretical interpretation for the emission of a single nucleon, a model has been developed in which the pion is absorbed by a correlated proton-proton pair, only one of these both protons being emitted. The first part of this research thesis addresses the calculation of absorption on a pair of nucleons with emission of these nucleons. It comprises the detailed presentation of the theoretical model, its comparison with other published calculations, and the comparison with results obtained by experiments of emission of nucleon pairs from carbon and oxygen. The second part proposes an overview of the great number of experimental results obtained by capture of π- resting on carbon. It reports the measurement of the emission of a single nucleon, the presentation of the elaborated theoretical model which has been developed to interpret this measurement. The author also compares the results of his calculation with the experimentally measured probability for the (π - p) process and the results published on the measurement of the (π - n).reaction [fr
THEORETICAL AND EXPERIMENTAL RESEARCH OF STRENGTH PROPERTIES OF SPINE BEAM OF FREIGHT CARS

Directory of Open Access Journals (Sweden)

L. O. Neduzha

2018-02-01

Full Text Available Purpose. The purpose of this paper is to analyze the results of theoretical and experimental studies of the strength properties of rolling stock; search for design tools, modeling, selection, justification of the service life extension of freight cars and their elements. Methodology. The article is based on the finite element method (FEM. It makes possible to completely automate the calculation of mechanical systems, although, as a rule, it requires a much larger number of computational operations than the classical methods of mechanics. The modern level of development of computer technology opens wide opportunities for the introduction of FEM into engineering practice. FEM is implemented in many well-known and widely distributed software products that provide strength analysis of models of machines, mechanisms, structures, including the rolling stock of railways. Findings. The article presents an analysis of the theoretical and experimental studies of the strength properties of rolling stock elements on the example of the spine beam of freight cars; calculations were performed using a modern application program package. The presented example of use of the offered approach has shown its operation capacity and efficiency, as well as correctness of the research direction. The offered approach can be used when solving similar optimization tasks in research and developmental practice of transport mechanical engineering. Originality. The authors proposed me-thod of determining the reliability indicators and solving scientific and applied problem of calculating the elements of freight cars, taking into account the operation features and the loading mode impact. This allows determining their durability at the design stage. There were developed and investigated the models of the spine beam of a freight car, on the basis of which the dependences characterizing the stress-strain state of its elements were obtained. Scientifically substantiated results of
Experimental and theoretical determination of the absorption coefficients of X-rays through barium plaster from 100 to 400 keV

International Nuclear Information System (INIS)

Joksimovicj, V.

1976-01-01

The absorption coefficients of X-rays from 100 to 400 keV through barium plaster of equivalent atomic number of 26 have been determined experimentally and theoretically. Calculated values are compared with experimental data. Matrix components of barium plaster were determined chemically and by X-ray fluorescence
Comprehensive Characterization of Palygorskite from Torrejon el Rubio (Spain) Based on Experimental Techniques and Theoretical DFT Studies

International Nuclear Information System (INIS)

Fernandez, A.M.; Timon, V.; Cubero, J. J.; Sanchez-Ledesma, D. M.; Gutierrez-Nebot, L.; Martinez, J. J.; Romero, C.; Labajo, M.; Melon, A.; Barrios, I.

2013-01-01

New data about the physico-chemical, microstructural and crystal-chemical properties of the mineral paligorskite from Torrejon el Rubio (Caceres, Spain) were obtained by a combination of experimental techniques (XRD, FRX, FTIR, TG-DSC, SEM and chemical analyses), as well as geometry optimization by means of the Density Functional Theory (DFT). This study demonstrates the applicability of the mixed theoretical-experimental work to characterize and understand the properties of clay minerals used in technological applications and environmental remediation. (Author)
Comprehensive Characterization of Palygorskite from Torrejon el Rubio (Spain) Based on Experimental Techniques and Theoretical DFT Studies

Energy Technology Data Exchange (ETDEWEB)

Fernandez, A.M.; Timon, V.; Cubero, J. J.; Sanchez-Ledesma, D. M.; Gutierrez-Nebot, L.; Martinez, J. J.; Romero, C.; Labajo, M.; Melon, A.; Barrios, I.

2013-10-01

New data about the physico-chemical, microstructural and crystal-chemical properties of the mineral paligorskite from Torrejon el Rubio (Caceres, Spain) were obtained by a combination of experimental techniques (XRD, FRX, FTIR, TG-DSC, SEM and chemical analyses), as well as geometry optimization by means of the Density Functional Theory (DFT). This study demonstrates the applicability of the mixed theoretical-experimental work to characterize and understand the properties of clay minerals used in technological applications and environmental remediation. (Author)
Review of the Theoretical and Experimental Status of Dark Matter Identification with Cosmic-Ray Antideuterons

Science.gov (United States)

Aramaki, T.; Boggs, S.; Bufalino, S.; Dal, L.; von Doetinchem, P.; Donato, F.; Fornengo, N.; Fuke, H.; Grefe, M.; Hailey, C.;

2016-01-01

Recent years have seen increased theoretical and experimental effort towards the first-ever detection of cosmic-ray antideuterons, in particular as an indirect signature of dark matter annihilation or decay. In contrast to indirect dark matter searches using positrons, antiprotons, or gamma-rays, which suffer from relatively high and uncertain astrophysical backgrounds, searches with antideuterons benefit from very suppressed conventional backgrounds, offering a potential breakthrough in unexplored phase space for dark matter. This article is based on the first dedicated cosmic-ray antideuteron workshop, which was held at UCLA in June 2014. It reviews broad classes of dark matter candidates that result in detectable cosmic-ray antideuteron fluxes, as well as the status and prospects of current experimental searches. The coalescence model of antideuteron production and the influence of antideuteron measurements at particle colliders are discussed. This is followed by a review of the modeling of antideuteron propagation through the magnetic fields, plasma currents, and molecular material of our Galaxy, the solar system, the Earth's geomagnetic field, and the atmosphere. Finally, the three ongoing or planned experiments that are sensitive to cosmic-ray antideuterons, BESS, AMS-02, and GAPS, are detailed. As cosmic-ray antideuteron detection is a rare event search, multiple experiments with orthogonal techniques and backgrounds are essential. Therefore, the combination of AMS-02 and GAPS antideuteron searches is highly desirable. Many theoretical and experimental groups have contributed to these studies over the last decade, this review aims to provide the first coherent discussion of the relevant dark matter theories that antideuterons probe, the challenges to predictions and interpretations of antideuteron signals, and the experimental efforts toward cosmic antideuteron detection.

Theoretical analysis and experimental evaluation of small cyclone separator to remove fine particulate matter

Energy Technology Data Exchange (ETDEWEB)

Ko, Han Gyul; Kim, Hong Seok [Seoul Nat' l Univ., Seoul (Korea, Republic of)

2013-01-15

A cyclone separator has been widely used in various industrial processes for removing fine particulate matter because it is easy to fabricate, cost effective, and adaptable to extremely harsh conditions. However, owing to the complex flow field in cyclones, a complete understanding of the detailed mechanisms of particulate removal has not yet been gained. In this study, a theoretical analysis was performed for calculating the collection efficiency and cut off size in cyclones by taking into account the effects of geometrical and flow parameters. The collection efficiency and cut off size values predicted by the theoretical model showed good agreement with experimental measurements for particles with a diameter of 0.5-30{mu}m. It was also revealed that the surface friction, along with the flow and geometrical parameters, has a significant effect on the cyclone performance.
Characteristics of a micro-fin evaporator: Theoretical analysis and experimental verification

Directory of Open Access Journals (Sweden)

Zheng Hui-Fan

2013-01-01

Full Text Available A theoretical analysis and experimental verification on the characteristics of a micro-fin evaporator using R290 and R717 as refrigerants were carried out. The heat capacity and heat transfer coefficient of the micro-fin evaporator were investigated under different water mass flow rate, different refrigerant mass flow rate, and different inner tube diameter of micro-fin evaporator. The simulation results of the heat transfer coefficient are fairly in good agreement with the experimental data. The results show that heat capacity and the heat transfer coefficient of the micro-fin evaporator increase with increasing logarithmic mean temperature difference, the water mass flow rate and the refrigerant mass flow rate. Heat capacity of the micro-fin evaporator for diameter 9.52 mm is higher than that of diameter 7.00 mm with using R290 as refrigerant. Heat capacity of the micro-fin evaporator with using R717 as refrigerant is higher than that of R290 as refrigerant. The results of this study can provide useful guidelines for optimal design and operation of micro-fin evaporator in its present or future applications.
Signal Validation: A Survey of Theoretical and Experimental Studies at the KFKI Atomic Energy Research Institute

Energy Technology Data Exchange (ETDEWEB)

Racz, A.

1996-07-01

The aim of this survey paper is to collect the results of the theoretical and experimental work that has been done on early failure and change detection, signal/detector validation, parameter estimation and system identification problems in the Applied Reactor Physics Department of the KFKI-AEI. The present paper reports different applications of the theoretical methods using real and computer simulated data. The final goal is two-sided: 1) to better understand the mathematical/physical background of the applied methods and 2) to integrate the useful algorithms into a large, complex diagnostic software system. The software is under development, a preliminary version (called JEDI) has already been accomplished. (author)
Experimental observations and theoretical models for beam-beam phenomena

Energy Technology Data Exchange (ETDEWEB)

Kheifets, S.

1981-03-01

The beam-beam interaction in storage rings exhibits all the characteristics of nonintegrable dynamical systems. Here one finds all kinds of resonances, closed orbits, stable and unstable fixed points, stochastic layers, chaotic behavior, diffusion, etc. The storage ring itself being an expensive device nevertheless while constructed and put into operation presents a good opportunity of experimentally studying the long-time behavior of both conservative (proton machines) and nonconservative (electron machines) dynamical systems - the number of bunch-bunch interactions routinely reaches values of 10/sup 10/-10/sup 11/ and could be increased by decreasing the beam current. At the same time the beam-beam interaction puts practical limits for the yield of the storage ring. This phenomenon not only determines the design value of main storage ring parameters (luminosity, space charge parameters, beam current), but also in fact prevents many of the existing storage rings from achieving design parameters. Hence, the problem has great practical importance along with its enormous theoretical interest. A brief overview of the problem is presented.
Experimental observations and theoretical models for beam-beam phenomena

International Nuclear Information System (INIS)

Kheifets, S.

1981-03-01

The beam-beam interaction in storage rings exhibits all the characteristics of nonintegrable dynamical systems. Here one finds all kinds of resonances, closed orbits, stable and unstable fixed points, stochastic layers, chaotic behavior, diffusion, etc. The storage ring itself being an expensive device nevertheless while constructed and put into operation presents a good opportunity of experimentally studying the long-time behavior of both conservative (proton machines) and nonconservative (electron machines) dynamical systems - the number of bunch-bunch interactions routinely reaches values of 10 10 -10 11 and could be increased by decreasing the beam current. At the same time the beam-beam interaction puts practical limits for the yield of the storage ring. This phenomenon not only determines the design value of main storage ring parameters (luminosity, space charge parameters, beam current), but also in fact prevents many of the existing storage rings from achieving design parameters. Hence, the problem has great practical importance along with its enormous theoretical interest. A brief overview of the problem is presented
Theoretical and experimental studies of reverse osmosis separation of inorganic salts in aqueous solutions; Estudio teorico y experimental de parametros de transporte a traves de membranas de osmosis inversa : Efecto de varios tipos de sales

Energy Technology Data Exchange (ETDEWEB)

Khavet, M.; Mengual, J. I.

2004-07-01

Theoretical and experimental studies of reverse osmosis separation of inorganic salts in aqueous solutions have been carried out. In this study, a polyamide thin film composite membrane in spiral wound configuration was used. The free energy of different inorganic monovalent (LiCl, NaCl, KCl, NaBr, NaI, LiBr, KBr) and divalent (MgCl2, MnCl2, CaCl2, MgBr2) salts has been calculated. The solute transport parameters were related to the free energy of the corresponding cations and anions. The mass transfer coefficient at the high pressure feed side of the spiral wound module was determined for each type of salt. The obtained theoretical values were compared to the experimental ones. The good agreements observed between the experimental and theoretical results confirm the validity of the theoretical procedure, which may be applied in modelling solar reverse osmosis plants for the prediction of the separation factor of various types of inorganic salts. (Author)
Theoretical and experimental investigations of the limits to the maximum output power of laser diodes

International Nuclear Information System (INIS)

Wenzel, H; Crump, P; Pietrzak, A; Wang, X; Erbert, G; Traenkle, G

2010-01-01

The factors that limit both the continuous wave (CW) and the pulsed output power of broad-area laser diodes driven at very high currents are investigated theoretically and experimentally. The decrease in the gain due to self-heating under CW operation and spectral holeburning under pulsed operation, as well as heterobarrier carrier leakage and longitudinal spatial holeburning, are the dominant mechanisms limiting the maximum achievable output power.

Experimental and theoretical studies of the thermal behavior of titanium dioxide-SnO2 based composites.

Science.gov (United States)

Voga, G P; Coelho, M G; de Lima, G M; Belchior, J C

2011-04-07

In this paper we report experimental and theoretical studies concerning the thermal behavior of some organotin-Ti(IV) oxides employed as precursors for TiO(2)/SnO(2) semiconducting based composites, with photocatalytic properties. The organotin-TiO(2) supported materials were obtained by chemical reactions of SnBu(3)Cl (Bu = butyl), TiCl(4) with NH(4)OH in ethanol, in order to impregnate organotin oxide in a TiO(2) matrix. A theoretical model was developed to support experimental procedures. The kinetics parameters: frequency factor (A), activation energy, and reaction order (n) can be estimated through artificial intelligence methods. Genetic algorithm, fuzzy logic, and Petri neural nets were used in order to determine the kinetic parameters as a function of temperature. With this in mind, three precursors were prepared in order to obtain composites with Sn/TiO(2) ratios of 0% (1), 15% (2), and 30% (3) in weight, respectively. The thermal behavior of products (1-3) was studied by thermogravimetric experiments in oxygen.
Experimental and theoretical exploration of mechanical stability of Pt/NbO2 interfaces for thermoelectric applications

International Nuclear Information System (INIS)

Music, Denis; Schmidt, Paul; Saksena, Aparna

2017-01-01

Mechanical stability criteria for metallic contacts, namely a minimised thermal stress and an enhanced interfacial strength, have been appraised for sputtered, x-ray amorphous NbO 2 thermoelectric thin films in contact with a polycrystalline Pt electrode utilising experimental and theoretical methods. Thermal stress built at these Pt/NbO 2 interfaces with approximately 50 MPa is minute even at 800 °C, the maximum operation temperature. There are no coordination changes of Pt and its metallic character is only marginally altered upon the interface formation. In addition, Nb–O bonds at the interface sustain their covalent-ionic dioxide bonding nature. Hence, even though there are no considerable modifications in the electronic structure of the individual components at these interfaces, Pt/NbO 2 interfacial bonds of metallic and partly covalent character are strong with a work of separation reaching 2 J m −2 . Based on the synergic experimental and theoretical results, it is therefore expected that these interfaces are mechanically stable during operation of these thermoelectric devices. This strategy is of general importance for designing mechanically stable electrical contacts. (paper)
The defect chemistry of nitrogen in oxides: A review of experimental and theoretical studies

International Nuclear Information System (INIS)

Polfus, Jonathan M.; Norby, Truls; Haugsrud, Reidar

2013-01-01

Incorporation of nitrogen into oxides has in recent years received increased attention as a variable for tuning their functional properties. A vast number of reports have been devoted to improving the photocatalytic properties of TiO 2 , p-type charge carrier concentration in ZnO and the ionic transport properties of ZrO 2 by nitrogen doping. In comparison, the fundamentals of the nitrogen related defect chemistry for a wider range of oxides have been less focused upon. In the present contribution, we review experimental and computational investigations of the nitrogen related defect chemistry of insulating and semiconducting oxides. The interaction between nitrogen and protons is important and emphasized. Specifically, the stability of nitrogen defects such as N O / , NH O × and (NH 2 ) O • is evaluated under various conditions and their atomistic and electronic structure is presented. A final discussion is devoted to the role of nitrogen with respect to transport properties and photocatalytic activity of oxides. - Graphical abstract: Experimental and theoretical investigations of the nitrogen related defect chemistry of a range of wide band gap oxides is reviewed. The interaction between nitrogen dopants and protons is emphasized and described through the atomistic and electronic structure as well as defect chemical processes involving NH and NH 2 defects. Consequently, the physical properties of oxides containing such species are discussed with respect to e.g., diffusion and photocatalytic properties. Highlights: ► Experimental and theoretical investigations of the nitrogen and hydrogen related defect chemistry of wide band gap oxides is reviewed. ► The interaction between nitrogen dopants and protons is important and emphasized. ► Diffusion and photocatalytic properties of N-doped oxides are discussed.
An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine

Science.gov (United States)

Holland, D. M. P.; Powis, I.; Trofimov, A. B.; Menzies, R. C.; Potts, A. W.; Karlsson, L.; Badsyuk, I. L.; Moskovskaya, T. E.; Gromov, E. V.; Schirmer, J.

2017-10-01

The valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine have been studied both experimentally and theoretically. Synchrotron radiation has been employed to record angle resolved photoelectron spectra in the photon energy range 20-100 eV, and these have enabled anisotropy parameters and branching ratios to be derived. The experimental results have been compared with theoretical predictions obtained using the continuum multiple scattering Xα approach. This comparison shows that the anisotropy parameter associated with the nominally chlorine lone-pair orbital lying in the molecular plane is strongly affected by the atomic Cooper minimum. In contrast, the photoionization dynamics of the second lone-pair orbital, orientated perpendicular to the molecular plane, seem relatively unaffected by this atomic phenomenon. The outer valence ionization has been studied theoretically using the third-order algebraic-diagrammatic construction (ADC(3)) approximation scheme for the one-particle Green's function, the outer valence Green's function method, and the equation-of-motion (EOM) coupled cluster (CC) theory at the level of the EOM-IP-CCSD and EOM-EE-CC3 models. The convergence of the results to the complete basis set limit has been investigated. The ADC(3) method has been employed to compute the complete valence shell ionization spectra of 2-chloropyridine and 3-chloropyridine. The relaxation mechanism for ionization of the nitrogen σ-type lone-pair orbital (σN LP) has been found to be different to that for the corresponding chlorine lone-pair (σCl LP). For the σN LP orbital, π-π* excitations play the main role in the screening of the lone-pair hole. In contrast, excitations localized at the chlorine site involving the chlorine πCl LP lone-pair and the Cl 4p Rydberg orbital are the most important for the σCl LP orbital. The calculated photoelectron spectra have allowed assignments to be proposed for most of the structure observed in the
Emission spectra of photoionized plasmas induced by intense EUV pulses: Experimental and theoretical investigations

Science.gov (United States)

Saber, Ismail; Bartnik, Andrzej; Skrzeczanowski, Wojciech; Wachulak, Przemysław; Jarocki, Roman; Fiedorowicz, Henryk

2017-03-01

Experimental measurements and numerical modeling of emission spectra in photoionized plasma in the ultraviolet and visible light (UV/Vis) range for noble gases have been investigated. The photoionized plasmas were created using laser-produced plasma (LPP) extreme ultraviolet (EUV) source. The source was based on a gas puff target; irradiated with 10ns/10J/10Hz Nd:YAG laser. The EUV radiation pulses were collected and focused using grazing incidence multifoil EUV collector. The laser pulses were focused on a gas stream, injected into a vacuum chamber synchronously with the EUV pulses. Irradiation of gases resulted in a formation of low temperature photoionized plasmas emitting radiation in the UV/Vis spectral range. Atomic photoionized plasmas produced this way consisted of atomic and ionic with various ionization states. The most dominated observed spectral lines originated from radiative transitions in singly charged ions. To assist in a theoretical interpretation of the measured spectra, an atomic code based on Cowan's programs and a collisional-radiative PrismSPECT code have been used to calculate the theoretical spectra. A comparison of the calculated spectral lines with experimentally obtained results is presented. Electron temperature in plasma is estimated using the Boltzmann plot method, by an assumption that a local thermodynamic equilibrium (LTE) condition in the plasma is validated in the first few ionization states. A brief discussion for the measured and computed spectra is given.
Experimental and theoretical investigation of (e,2e) ionization of Ar(3p) in asymmetric kinematics at intermediate energies

International Nuclear Information System (INIS)

Ulu, Melike; Ozer, Zehra Nur; Yavuz, Murat; Dogan, Mevlut; Zatsarinny, Oleg; Bartschat, Klaus; Crowe, Albert

2014-01-01

Experimental and theoretical studies of electron-impact ionization of the 3p orbital of argon are reported. Good agreement is obtained with other benchmark experiments and state-of-the-art calculations.
Theoretical and experimental high energy physics

International Nuclear Information System (INIS)

Walsh, T.; Ruddick, K.

1990-01-01

This report discusses the following topics: The Soudan enterprise; study of strange quarks at Fermilab; direct photons at Fermilab; the Brookhaven programs; AMY and CLEO: studies of e + e - annihilations; cosmic ray studies with the DO muon chamber; progress report on HEP computer upgrade; muon triggering and reconstruction at SSC; and, theoretical high energy physics
Functionalization of glassy carbon surface by means of aliphatic and aromatic amino acids. An experimental and theoretical integrated approach

International Nuclear Information System (INIS)

Vanossi, Davide; Benassi, Rois; Parenti, Francesca; Tassinari, Francesco; Giovanardi, Roberto; Florini, Nicola; De Renzi, Valentina; Arnaud, Gaelle; Fontanesi, Claudio

2012-01-01

Highlights: ► Glassy carbon is functionalized via electrochemical assisted grafting of amino acids. ► The grafting mechanism is suggested to involve the “zwitterionic” species. ► DFT calculations allowed to determine the electroactive species. ► An original grafting mechanism is proposed. - Abstract: Glassy carbon (GC) electrode surfaces are functionalized through electrochemical assisted grafting, in oxidation regime, of six amino acids (AA): β-alanine (β-Ala), L-aspartic acid (Asp), 11-aminoundecanoic acid (UA), 4-aminobenzoic acid (PABA), 4-(4-amino-phenyl)-butyric acid (PFB), 3-(4-amino-phenyl)-propionic acid (PFP). Thus, a GC/AA interface is produced featuring carboxylic groups facing the solution. Electrochemical (cyclic voltammetry and electrochemical impedance spectroscopy) and XPS techniques are used to experimentally characterize the grafting process and the surface state. The theoretical results are compared with the experimental evidence to determine, at a molecular level, the overall grafting mechanism. Ionization potentials, standard oxidation potentials, HOMO and electron spin distributions are calculated at the CCD/6-31G* level of the theory. The comparison of experimental and theoretical data suggests that the main electroactive species is the “zwitterionic” form for the three aliphatic amino acids, while the amino acids featuring the amino group bound to the phenyl aromatic moiety show a different behaviour. The comparison between experimental and theoretical results suggests that both the neutral and the zwitterionic forms are present in the acetonitrile solution in the case of 4-(4-amino-phenyl)-butyric acid (PFB) and 3-(4-amino-phenyl)-propionic acid.
Experimental, computational and theoretical studies of δ′ phase coarsening in Al–Li alloys

International Nuclear Information System (INIS)

Pletcher, B.A.; Wang, K.G.; Glicksman, M.E.

2012-01-01

Experimental characterization of microstructure evolution in three binary Al–Li alloys provides critical tests of both diffusion screening theory and multiparticle diffusion simulations, which predict late-stage phase-coarsening kinetics. Particle size distributions, growth kinetics and maximum particle sizes obtained using quantitative, centered dark-field transmission electron microscopy are compared quantitatively with theoretical and computational predictions. We also demonstrate the dependence on δ′ precipitate volume fraction of the rate constant for coarsening and the microstructure’s maximum particle size, both of which remained undetermined for this alloy system for nearly a half century. Our experiments show quantitatively that the diffusion-screening theoretical description of phase coarsening yields reasonable kinetic predictions, and that useful simulations of microstructure evolution are obtained via multiparticle diffusion. The tested theory and simulation method will provide useful tools for future design of two-phase alloys for elevated temperature applications.
Theoretical-Experimental study on the electroslag remelting technology of high quality steels

International Nuclear Information System (INIS)

Robles P, E.F.

1993-01-01

This is a theoretical-experimental laboratory study on the Electroslag Remelting Technology (ESRT) of high quality steels. The objective of this study was to analyze the problems that this technology entails and thus facilitate its industrial application in Mexico. The study was carried out using a 1 Kg. capacity furnace, the behavior of different fluxes on the remelting of 1018 AISI carbon steel was established and a slag 70F/15/15 was selected for the remelting of H-13 AISI hot work tool steel. From the experimental results it was possible to establish a flux manufacture route, the electrode conditioning necessary for the experiments, and the critical points of the process. It was demonstrated that the crucible and electrode advance system are the more critical points in the furnace manufacture, that the start up is fundamental for the remelting continuity and that the CaF 2 base slags are more recommendable for special steels refining. It has been proven that it is possible to experiment with little laboratory electroslag furnaces. (Author)
Numerical calculation of aerodynamics wind turbine blade S809 airfoil and comparison of theoretical calculations with experimental measurements and confirming with NREL data

Science.gov (United States)

Sogukpinar, Haci; Bozkurt, Ismail

2018-02-01

Aerodynamic performance of the airfoil plays the most important role to obtain economically maximum efficiency from a wind turbine. Therefore airfoil should have an ideal aerodynamic shape. In this study, aerodynamic simulation of S809 airfoil is conducted and obtained result compared with previously made NASA experimental result and NREL theoretical data. At first, Lift coefficient, lift to drag ratio and pressure coefficient around S809 airfoil are calculated with SST turbulence model, and are compared with experimental and other theoretical data to correlate simulation correctness of the computational approaches. And result indicates good correlation with both experimental and theoretical data. This calculation point out that as the increasing relative velocity, lift to drag ratio increases. Lift to drag ratio attain maximum at the angle around 6 degree and after that starts to decrease again. Comparison shows that CFD code used in this calculation can predict aerodynamic properties of airfoil.
Entropic and Electrostatic Effects on the Folding Free Energy of a Surface-Attached Biomolecule: An Experimental and Theoretical Study

Science.gov (United States)

Watkins, Herschel M.; Vallée-Bélisle, Alexis; Ricci, Francesco; Makarov, Dmitrii E.; Plaxco, Kevin W.

2012-01-01

Surface-tethered biomolecules play key roles in many biological processes and biotechnologies. However, while the physical consequences of such surface attachment have seen significant theoretical study, to date this issue has seen relatively little experimental investigation. In response we present here a quantitative experimental and theoretical study of the extent to which attachment to a charged –but otherwise apparently inert– surface alters the folding free energy of a simple biomolecule. Specifically, we have measured the folding free energy of a DNA stem loop both in solution and when site-specifically attached to a negatively charged, hydroxyl-alkane-coated gold surface. We find that, whereas surface attachment is destabilizing at low ionic strength it becomes stabilizing at ionic strengths above ~130 mM. This behavior presumably reflects two competing mechanisms: excluded volume effects, which stabilize the folded conformation by reducing the entropy of the unfolded state, and electrostatics, which, at lower ionic strengths, destabilizes the more compact folded state via repulsion from the negatively charged surface. To test this hypothesis we have employed existing theories of the electrostatics of surface-bound polyelectrolytes and the entropy of surface-bound polymers to model both effects. Despite lacking any fitted parameters, these theoretical models quantitatively fit our experimental results, suggesting that, for this system, current knowledge of both surface electrostatics and excluded volume effects is reasonably complete and accurate. PMID:22239220
Coherent evolution of parahydrogen induced polarisation using laser pump, NMR probe spectroscopy: Theoretical framework and experimental observation.

Science.gov (United States)

Halse, Meghan E; Procacci, Barbara; Henshaw, Sarah-Louise; Perutz, Robin N; Duckett, Simon B

2017-05-01

We recently reported a pump-probe method that uses a single laser pulse to introduce parahydrogen (p-H 2 ) into a metal dihydride complex and then follows the time-evolution of the p-H 2 -derived nuclear spin states by NMR. We present here a theoretical framework to describe the oscillatory behaviour of the resultant hyperpolarised NMR signals using a product operator formalism. We consider the cases where the p-H 2 -derived protons form part of an AX, AXY, AXYZ or AA'XX' spin system in the product molecule. We use this framework to predict the patterns for 2D pump-probe NMR spectra, where the indirect dimension represents the evolution during the pump-probe delay and the positions of the cross-peaks depend on the difference in chemical shift of the p-H 2 -derived protons and the difference in their couplings to other nuclei. The evolution of the NMR signals of the p-H 2 -derived protons, as well as the transfer of hyperpolarisation to other NMR-active nuclei in the product, is described. The theoretical framework is tested experimentally for a set of ruthenium dihydride complexes representing the different spin systems. Theoretical predictions and experimental results agree to within experimental error for all features of the hyperpolarised 1 H and 31 P pump-probe NMR spectra. Thus we establish the laser pump, NMR probe approach as a robust way to directly observe and quantitatively analyse the coherent evolution of p-H 2 -derived spin order over micro-to-millisecond timescales. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.
Experimental (FT-IR, FT-Raman, 1H NMR) and theoretical study of magnesium, calcium, strontium, and barium picolinates.

Science.gov (United States)

Swiderski, G; Kalinowska, M; Wojtulewski, S; Lewandowski, W

2006-05-01

The experimental IR, Raman, and 1H NMR spectra of picolinic acid, as well as magnesium, calcium, strontium, and barium picolinates were registered, assigned and studied. Characteristic changes in the spectra of metal picolinates in comparison with the spectrum of ligand were observed, which lead to the conclusion that perturbation of the aromatic system of picolinates increases along with the series Mg-->Ca-->Sr-->Ba. Theoretical structures of beryllium and magnesium picolinates, as well as theoretical IR spectrum of magnesium picolinate were calculated in B3PW91/6-311++G(d, p) level. On the basis of calculated bond lengths in pyridine ring geometric, aromaticity indexes HOMA were calculated. The idea of these indexes is based on the fact that the essential factor in aromatic stabilization is the pi delocalization manifested in: planar geometry, equalization of the bond lengths and angles, and symmetry. The decidedly lower value of HOMA for magnesium picolinate (i.e. 0.545; 0.539) than that for beryllium picolinate (i.e. 0.998; 0.998) indicate higher aromatic properties of Be picolinate than of Mg picolinate. The comparison of theoretical and literature experimental structures of magnesium picolinate was done. The experimental structure contains two water molecules, so the calculations for hydrated magnesium picolinate were carried on, and the influence of coordinated water molecule on the structure of picolinates was discussed. The HOMAs for hydrated experimental and calculated Mg picolinate amount to 0.870; 0.743, and 0.900; 0.890, respectively, whereas for anhydrous structure, it is as described above, i.e. 0.545; 0.539. Thus, the calculations clearly showed that water molecules coordinated to the central atom weakens the effect of metal on the electronic system of ligand.
Experimental and theoretical investigation of bezafibrate binding to serum albumins

Energy Technology Data Exchange (ETDEWEB)

Gałęcki, Krystian, E-mail: kgalecki87@gmail.com [Technical University of Lodz, Lodz (Poland); Hunter, Kelsey [Glasgow Caledonian University, Glasgow, Scotland (United Kingdom); Daňková, Gabriela [Masarykova Univerzita, Brno (Czech Republic); Rivera, Elsy [University of Houston-Downtown, Houston (United States); Tung, Lo Wing [The Hong Kong Polytechnic University (Hong Kong); Mc Sherry, Kenneth [Trinity College Dublin, Dublin (Ireland)

2016-09-15

The purpose of this investigation was to provide insight into the possible mechanism of the intermolecular interactions between antilipemic agent bezafibrate and serum albumins (SAs) including human (HSA) and bovine (BSA). The aim was to indicate the most probable sight of these interactions. Both experimental (spectroscopic) and theoretical methods were applied. It was determined that bezafibrate binds to SAs in one specific binding site, the fatty acid binding site 6. The results obtained from the steady-state and time-resolved fluorescence experiments suggested that existing two distinct stable conformations of the proteins with different exposure to the quencher. The dominate conformer of HSA and BSA characterized by the Stern–Volmer quenching constant (from ratio F{sub 0}/F) equal to 1.24·10{sup 4} and 8.48·10{sup 3} M{sup −1} at 298 K, respectively. The docking results and calculated thermodynamics parameters may be suggested that the binding process is spontaneous and might involve van der Waals and hydrogen bonding forces.
Theoretical and experimental investigations into natural circulation behaviour in a simulated facility of the Indian PHWR under reduced inventory conditions

International Nuclear Information System (INIS)

Satish Kumar, N.V.; Nayak, A.K.; Vijayan, P.K.; Pal, A.K.; Saha, D.; Sinha, R.K.

2004-01-01

A theoretical and experimental investigation has been carried out to study natural circulation characteristics of an Indian PHWR under reduced inventory conditions. The theoretical model incorporates a quasi-steady state analysis of natural circulation at different system inventories. It predicts the system flow rate under single-phase and two-phase conditions and the inventory at which reflux condensation occurs. The model predictions were compared with test data obtained from FISBE (facility for integral system behaviour experiments), which simulates the thermal hydraulic behaviour of the Indian 220 MWe PHWR. The experimental results were found to be in close agreement with the predictions. It was also found that the natural circulation could be oscillatory under reduced inventory conditions. (orig.)
Experimental and theoretical study of very-low-energy inelastic processes in electron-molecule collisions, March 20, 1981-March 20, 1982

International Nuclear Information System (INIS)

Golden, D.E.; Morrison, M.

1982-01-01

We have undertaken a comprehensive theoretical and experimental study of very-low-energy electron-impact excitation of molecules. The objective of the first phase of this program is a comprehensive study of near-threshold electron-impact ro-vibrational excitation cross sections in H 2 in order to resolve serious discrepancies that exist between the cross sections for this process as determined by beam and swarm experiments. The program consists of experimental measurements of these cross sections using a cross-beam time-of-flight apparatus being developed in our laboratory and fully ab-initio theoretical calculations of these cross sections using a coupled-channels formulation with a highly-accurate interaction potential. Progress is reported
Weak interactions and exchange currents in light nuclei. Theoretical and experimental aspects

International Nuclear Information System (INIS)

Guichon, P.

1980-01-01

The influence of meson exchange currents in the nuclear weak interaction is investigated theoretically and experimentally. The hypothesis of current algebra and partial conservation of axial current are used, through Adler-Dothan theorem, to derive the one pion exchange correction to the impulse approximation. Calculations are performed for partial transitions in the 1p-shell nuclei and in 16 O. The corrections are generally small except for the (0 + →0 - ) transition in 16 O where the large correction to the time component of the axial current can show up, due to selection rules. The measurement of the muon capture rate for this transition is described and an interpretation in term of exchange currents is proposed [fr
Theoretical and Experimental Studies of New Polymer-Metal High-Dielectric Constant Nanocomposites

Science.gov (United States)

Ginzburg, Valeriy; Elwell, Michael; Myers, Kyle; Cieslinski, Robert; Malowinski, Sarah; Bernius, Mark

2006-03-01

High-dielectric-constant (high-K) gate materials are important for the needs of electronics industry. Most polymers have dielectric constant in the range 2 materials with K > 10 it is necessary to combine polymers with ceramic or metal nanoparticles. Several formulations based on functionalized Au-nanoparticles (R ˜ 5 -— 10 nm) and PMMA matrix polymer are prepared. Nanocomposite films are subsequently cast from solution. We study the morphology of those nanocomposites using theoretical (Self-Consistent Mean-Field Theory [SCMFT]) and experimental (Transmission Electron Microscopy [TEM]) techniques. Good qualitative agreement between theory and experiment is found. The study validates the utility of SCMFT as screening tool for the preparation of stable (or at least metastable) polymer/nanoparticle mixtures.
Theoretical and experimental comparison of microelectrode sensing configurations for impedimetric cell monitoring

DEFF Research Database (Denmark)

Carminati, M.; Caviglia, Claudia; Heiskanen, Arto

2013-01-01

microelectrodes using a versatile custom-made monitoring platform including a 24-channel miniaturized potentiostat. The characterization of bare microelectrodes in buffer and tracking experiments with HeLa cells over 16 hours demonstrate that the coplanar configuration provides a higher sensitivity to cell......A theoretical and experimental comparison between vertical and coplanar interdigitated sensing configurations for impedimetric cell growth tracking is presented. These widely-adopted approaches are quantitatively compared on the same cell populations and on the same 10 μm interdigitated...... adhesion and spreading (Cell Index = 1.6 vs. 0.4) albeit at a higher frequency of maximum sensitivity (100 kHz vs. 24 kHz) shifting over time. © 2014 Taylor & Francis Group....

Theoretical and Experimental Studies of N,N-Dimethyl-N'-Picryl-4,4'-Stilbenediamine.

Science.gov (United States)

Papper, Vladislav; Wu, Yuanyuan; Kharlanov, Vladimir; Sukharaharja, Ayrine; Steele, Terry W J; Marks, Robert S

2018-01-01

N,N-dimethyl-N'-picryl-4,4'-stilbenediamine (DMPSDA) was prepared, purified and crystallised in a form of black lustrous crystals, and its absorption and fluorescence spectra were recorded in cyclohexane, acetonitrile and dimethyl sulfoxide. Non-emissive intramolecular charge transfer state (ICT) was clearly observed in this molecule in all three solvents. Theoretical calculations demonstrating a betaine electronic structure of the trinitrophenyl group in the ground state of the molecule and a charge transfer nature of the long wavelength transition S 0 → S 1 supported the experimental observations of the ICT formation in the molecule.
A review of theoretical and experimental studies underlying the thermal-hydraulic design of fast reactor fuel elements

International Nuclear Information System (INIS)

McAreavey, C.G.; Betts, C.

1979-01-01

The economic performance of fast reactors is closely linked to the achievable burn-up of heavy atoms, that is to the endurance life of the fuel pins. The safety case must also be concerned with the integrity of the cladding, since this is the primary containment envelope for fission products. It is thus important to ensure that cladding temperatures during reactor operation are limited to levels which incur no serious impairment of mechanical properties. The function of thermal-hydraulic analysis is to provide fuel element designers with the means of achieving this objective. This paper reviews the theoretical approaches which have been developed and applied in the UK in the design of LMFBR fuel and breeder sub-assemblies, control rods and experimental clusters. It also presents results of experimental studies undertaken to develop a better understanding of coolant flow distribution and mixing problems in these components, and to provide essential data for computer codes. Problem areas in this field are highlighted, particularly the difficulties arising due to irradiation induced distortions. Reference is made to the experimental and theoretical developments which are in progress, or may be required, to provide adequate predictions of fuel pin temperatures at high burn-up. (author)
Experimental and theoretical study on field emission properties of zinc oxide nanoparticles decorated carbon nanotubes

Science.gov (United States)

Li, Xin; Zhou, Wei-Man; Liu, Wei-Hua; Wang, Xiao-Li

2015-05-01

Field emission properties of zinc oxide (ZnO) nanoparticles (NPs) decorated carbon nanotubes (CNTs) are investigated experimentally and theoretically. CNTs are in situ decorated with ZnO NPs during the growth process by chemical vapor deposition using a carbon source from the iron phthalocyanine pyrolysis. The experimental field emission test shows that the ZnO NP decoration significantly improves the emission current from 50 μA to 275 μA at 550 V and the reduced threshold voltage from 450 V to 350 V. The field emission mechanism of ZnO NPs on CNTs is theoretically studied by the density functional theory (DFT) combined with the Penn-Plummer method. The ZnO NPs reconstruct the ZnO-CNT structure and pull down the surface barrier of the entire emitter system to 0.49 eV so as to reduce the threshold electric field. The simulation results suggest that the presence of ZnO NPs would increase the LDOS near the Fermi level and increase the emission current. The calculation results are consistent with the experiment results. Project supported by the National Natural Science Foundation of China (Grant Nos. 91123018, 61172040, and 61172041) and the Natural Science Foundation of Shaanxi Province, China (Grant No. 2014JM7277).
Experimental and theoretical analysis of cell module output performance for a thermophotovoltaic system

International Nuclear Information System (INIS)

Xu, Xiaojie; Ye, Hong; Xu, Yexin; Shen, Mingrong; Zhang, Xiaojing; Wu, Xi

2014-01-01

Highlights: • An accurate theoretical model for thermophotovoltaic system is constructed. • Parallel connected module is superior if radiator temperature is uneven. • Series connected module is superior if cell temperature is uneven. • Short circuit current of series module rises when the shunt resistance decreases. • Fill factor is not always accurate to evaluate the module performance. - Abstract: An experimental thermophotovoltaic (TPV) system with a cylindrical-geometry radiator was established to test the output performances of modules under different conditions. The results demonstrate that the output performance of a cell module decreases when the combustion power increases because of the uneven temperature of the radiator or cells. On this basis, a theoretical model for a TPV system was constructed to compare the performance under different conditions of the series-connected (SC) module and the parallel-connected (PC) module, and was verified by the experimental results. The influences of the temperature gradient of the radiator or the cell module, and the series and shunt resistance of the TPV cell on the module performance were analyzed in detail. The results demonstrate that the PC module can effectively reduce the mismatch loss of output power caused by the uneven radiator temperature. The PC module, for instance, has a maximum output power of 2.54 times higher than that of the SC module when the radiator temperature difference is 500 K. However, the output performance of the module connected in series is superior to the PC module while the cell temperature is non-uniform. The output power of the SC module is 9.93% higher than that of the PC module at the cell temperature difference of 125 K. The short circuit current of the SC module is sensitive to the series and shunt resistance if the radiator temperature distribution is non-uniform. As the shunt resistance falls from ∞ to 0.5 Ω, the current varies from 1.757 A to 4.488 A when the
Lateral vibration control of a flexible overcritical rotor via an active gas bearing – Theoretical and experimental comparisons

DEFF Research Database (Denmark)

Pierart Vásquez, Fabián Gonzalo; Santos, Ilmar

2016-01-01

The lack of damping of radial gas bearings leads to high vibration levels of a rotor supported by this type of bearing when crossing resonant areas. This is even more relevant for flexible rotors, as studied in this work. In order to reduce these high vibration levels, an active gas bearing...... is proposed. The control action of this active bearing is selected based on two different strategies: a simple proportional integral derivative controller and an optimal controller. Both controllers are designed based on a theoretical model previously presented. The dynamics of the flexible rotor are modelled......-based controllers are compared against experimental results, showing good agreement. Theoretical and experimental results show a significant increase in the damping ratio of the system, enabling the flexible rotor to run safely across the critical speeds and up to 12,000rev/min, i.e. 50 percent over the second...
Incipient Transient Detection in Reactor Systems: Experimental and Theoretical Investigation

Energy Technology Data Exchange (ETDEWEB)

Lefteri H. Tsoukalas; S.T. Revankar; X Wang; R. Sattuluri

2005-09-27

The main goal of this research was to develop a method for detecting reactor system transients at the earliest possible time through a comprehensive experimental, testing and benchmarking program. This approach holds strong promise for developing new diagnostic technologies that are non-intrusive, generic and highly portable across different systems. It will help in the design of new generation nuclear power reactors, which utilize passive safety systems with a reliable and non-intrusive multiphase flow diagnostic system to monitor the function of the passive safety systems. The main objective of this research was to develop an improved fuzzy logic based detection method based on a comprehensive experimental testing program to detect reactor transients at the earliest possible time, practically at their birth moment. A fuzzy logic and neural network based transient identification methodology and implemented in a computer code called PROTREN was considered in this research and was compared with SPRT (Sequentially Probability Ratio Testing) decision and Bayesian inference. The project involved experiment, theoretical modeling and a thermal-hydraulic code assessment. It involved graduate and undergraduate students participation providing them with exposure and training in advanced reactor concepts and safety systems. In this final report, main tasks performed during the project period are summarized and the selected results are presented. Detailed descriptions for the tasks and the results are presented in previous yearly reports (Revankar et al 2003 and Revankar et al 2004).
Experimental and theoretical investigation of column - flat slab joint ductility

International Nuclear Information System (INIS)

Iskhakov, I.; Ribakov, Y.; Shah, A.

2009-01-01

Most modern seismic codes use ductility as one of the basic design parameters. Actually, ductility defines the ability of a structure or its elements to absorb energy by plastic deformations. Until the end of the previous century ductility was defined qualitatively. Most research works related to ductility are focused on structural elements' sections. This study was aimed at complex experimental and theoretical investigation of flat slab-column joints ductility. It is one of the first attempts to obtain quantitative values of joint's ductility for the case of high strength concrete columns and normal strength concrete slabs. It was shown that the flat slab-column joint is a three-dimension (3D) element and its ductility in horizontal and vertical directions are different. This is the main difference between ductility of elements and joint ductility. In case of flat slab-column joints, essential contribution to joint's ductility can be obtained due to the slab's confining effect. Based on experimental data, the authors demonstrate that flat slab-column joint's ductility depends on the joint's confining effect in two horizontal and vertical directions. Furthermore, the influence of slab load intensity and slab reinforcement ratio on the joint's ductility is performed in this study. It is also demonstrated that the effect of the ratio between the slab thickness and the column's section dimension on the ductility parameter is significant. Equations for obtaining a quantitative value of a flat slab-column joint's ductility parameter were developed.
Experimental and theoretical requirements for fuel modelling

International Nuclear Information System (INIS)

Gatesoupe, J.P.

1979-01-01

From a scientific point of view it may be considered that any event in the life of a fuel pin under irradiation should be perfectly well understood and foreseen from that deterministic point of view, the whole behaviour of the pin maybe analysed and dismantled with a specific function for every component part and each component part related to one basic phenomenon which can be independently studied on pure physical grounds. When extracted from the code structure the subroutine is studied for itself by specialists who try to keep as close as possible to the physics involved in the phenomenon; that often leads to an impressive luxury in details and a subsequent need for many unavailable input data. It might seem more secure to follow that approach since it tries to be firmly based on theoretical grounds. One should think so if the phenomenological situation in the pin were less complex than it is. The codes would not be adequate for off-normal operating conditions since for the accidental transient conditions the key-phenomena would not be the same as for steady-state or slow transient conditions. The orientation given to fuel modelling is based on our two main technological constraints which are: no fuel melting; no cladding failure; no excessive cladding deformation. In this context, the only relevant models are those which have a significant influence on the maximum temperatures in the fuel or on the cladding damage hence the selection between key models and irrelevant models which will next be done. A rather pragmatic view is kept on codification with a special focus on a few determinant aspects of fuel behaviour and no attention to models which are nothing but decorative. Fuel modeling is merely considered as a link between experimental knowledge; it serves as a guide for further improvements in fuel design and as so happens to be quite useful. On this basis the main lacks in of fuel behaviour is described. These are mainly concerning: thermal transfer through
Theoretical & Experimental Studies of Elementary Particles

Energy Technology Data Exchange (ETDEWEB)

McFarland, Kevin [Univ. of Rochester, NY (United States)

2012-10-04

Abstract High energy physics has been one of the signature research programs at the University of Rochester for over 60 years. The group has made leading contributions to experimental discoveries at accelerators and in cosmic rays and has played major roles in developing the theoretical framework that gives us our ``standard model'' of fundamental interactions today. This award from the Department of Energy funded a major portion of that research for more than 20 years. During this time, highlights of the supported work included the discovery of the top quark at the Fermilab Tevatron, the completion of a broad program of physics measurements that verified the electroweak unified theory, the measurement of three generations of neutrino flavor oscillations, and the first observation of a ``Higgs like'' boson at the Large Hadron Collider. The work has resulted in more than 2000 publications over the period of the grant. The principal investigators supported on this grant have been recognized as leaders in the field of elementary particle physics by their peers through numerous awards and leadership positions. Most notable among them is the APS W.K.H. Panofsky Prize awarded to Arie Bodek in 2004, the J.J. Sakurai Prizes awarded to Susumu Okubo and C. Richard Hagen in 2005 and 2010, respectively, the Wigner medal awarded to Susumu Okubo in 2006, and five principal investigators (Das, Demina, McFarland, Orr, Tipton) who received Department of Energy Outstanding Junior Investigator awards during the period of this grant. The University of Rochester Department of Physics and Astronomy, which houses the research group, provides primary salary support for the faculty and has waived most tuition costs for graduate students during the period of this grant. The group also benefits significantly from technical support and infrastructure available at the University which supports the work. The research work of the group has provided educational opportunities
Development and experimental evaluation of theoretical models for ion cyclotron resonance frequency heating of tokamak plasmas

International Nuclear Information System (INIS)

Mantsinen, M.

1999-01-01

Heating with electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is a well-established method for auxiliary heating of present-day tokamak plasmas and is envisaged as one of the main heating techniques for the International Thermonuclear Experimental Reactor (ITER) and future reactor plasmas. In order to predict the performance of ICRF heating in future machines, it is important to benchmark present theoretical modelling with experimental results on present tokamaks. This thesis reports on development and experimental evaluation of theoretical models for ICRF heating at the Joint European Torus (JET). Several ICRF physics effects and scenarios have been studied. Direct importance to the ITER is the theoretical analysis of ICRF heating experiments with deuterium-tritium (D-T) plasmas. These experiments clearly demonstrate the potential of ICRF heating for auxiliary heating of reactor plasmas. In particular, scenarios with potential for good bulk ion heating and enhanced D-T fusion reactivity have been identified. Good bulk ion heating is essential for reactor plasmas in order to obtain a high ion temperature and a high fusion reactivity. In JET good bulk ion heating with ICRF waves has been achieved in high-performance discharges by adding ICRF heating to neutral beam injection. In these experiments, as in other JET discharges where damping at higher harmonics of the ion cyclotron frequency takes place, so-called finite Larmor radius (FLR) effects play an important role. Due to FLR effects, the resonating ion velocity distribution function can have a strong influence on the power deposition. Evidence for this effect has been obtained from the third harmonic deuterium heating experiments. Because of FLR effects, the wave-particle interaction can also become weak at certain ion energies, which prevents resonating ions from reaching higher energies. When interacting with the wave, an ion receives not only a change in energy but also a change in
Radionuclide release from spent fuel under geologic disposal conditions: An overview of experimental and theoretical work through 1985

Energy Technology Data Exchange (ETDEWEB)

Reimus, P.W.; Simonson, S.A.

1988-04-01

This report presents an overview of experimental and theoretical work on radionuclide release from spent fuel and uranium dioxide (UO/sub 2/) under geologic disposal conditions. The purpose of the report is to provide a source book of information that can be used to develop models that describe radionuclide release from spent fuel waste packages. Modeling activities of this nature will be conducted within the Waste Package Program (WPP) of the Department of Energy's Salt Repository Project (SRP). The topics discussed include experimental methods for investigating radionuclide release, how results have been reported from radionuclide release experiments, theoretical studies of UO/sub 2/ and actinide solubility, results of experimental studies of radionuclide release from spent fuel and UO/sub 2/ (i.e., the effects of different variables on radionuclide release), characteristics of spent fuel pertinent to radionuclide release, and status of modeling of radionuclide release from spent fuel. Appendix A presents tables of data from spent fuel radionuclide release experiments. These data have been digitized from graphs that appear in the literature. An annotated bibliography of literature on spent fuel characterization is provided in Appendix B.
Theoretical-and experimental analysis of the errors involved in the wood moisture determination by gamma-ray attenuation

International Nuclear Information System (INIS)

Aguiar, O.

1983-01-01

The sources of errors in wood moisture determination by gamma-ray attenuation were sought. Equations were proposed for determining errors and for ideal sample thickness. A series of measurements of moisture content in wood samples of Pinus oocarpa was made and the experimental errors were compared with the theoretical errors. (Author) [pt
Heat conduction in graphene: experimental study and theoretical interpretation

International Nuclear Information System (INIS)

Ghosh, S; Nika, D L; Pokatilov, E P; Balandin, A A

2009-01-01

We review the results of our experimental investigation of heat conduction in suspended graphene and offer a theoretical interpretation of its extremely high thermal conductivity. The direct measurements of the thermal conductivity of graphene were performed using a non-contact optical technique and special calibration procedure with bulk graphite. The measured values were in the range of ∼3000-5300 W mK -1 near room temperature and depended on the lateral dimensions of graphene flakes. We explain the enhanced thermal conductivity of graphene as compared to that of bulk graphite basal planes by the two-dimensional nature of heat conduction in graphene over the whole range of phonon frequencies. Our calculations show that the intrinsic Umklapp-limited thermal conductivity of graphene grows with the increasing dimensions of graphene flakes and can exceed that of bulk graphite when the flake size is on the order of a few micrometers. The detailed theory, which includes the phonon-mode-dependent Gruneisen parameter and takes into account phonon scattering on graphene edges and point defects, gives numerical results that are in excellent agreement with the measurements for suspended graphene. Superior thermal properties of graphene are beneficial for all proposed graphene device applications.
A theoretical and experimental investigation of the interaction between gas molecules and cryogenic surfaces

International Nuclear Information System (INIS)

Varlam, M.; Steflea, D.; Chiriloaie, N.

1992-01-01

The cryo-pumping performance of a cryo-surface subjected to the impingement of low-pressure, thermal-velocity air flow is experimentally and theoretically investigated. Our purpose is to determine the angular dependence of capture coefficients for gas molecules incident on a cryogenic surface under conditions closely approximating those prevailing in cryo-pumped high vacuum chambers. The classical model for the interaction of gas atoms and the solid surface - the 'soft-tube' model - is developed and the basic assumption are examined. Starting from this theory we have calculated the capture coefficient of the Ag - N system and these values are discussed in terms of principal parameters considered. Despite the many simplifying assumptions, this model has the important attribute that it yields closed-form expressions for the capture coefficient of gas molecules. The molecular beam technique offers a direct experimental method for determining the capture coefficient for molecules with given angles of incidence by measuring the incident and reflected molecular fluxes. An experimental setup is also designed and the method for determining these coefficients is proposed. (Author)
Theoretical extension and experimental demonstration of spectral compression in second-harmonic generation by Fresnel-inspired binary phase shaping

Science.gov (United States)

Li, Baihong; Dong, Ruifang; Zhou, Conghua; Xiang, Xiao; Li, Yongfang; Zhang, Shougang

2018-05-01

Selective two-photon microscopy and high-precision nonlinear spectroscopy rely on efficient spectral compression at the desired frequency. Previously, a Fresnel-inspired binary phase shaping (FIBPS) method was theoretically proposed for spectral compression of two-photon absorption and second-harmonic generation (SHG) with a square-chirped pulse. Here, we theoretically show that the FIBPS can introduce a negative quadratic frequency phase (negative chirp) by analogy with the spatial-domain phase function of Fresnel zone plate. Thus, the previous theoretical model can be extended to the case where the pulse can be transformed limited and in any symmetrical spectral shape. As an example, we experimentally demonstrate spectral compression in SHG by FIBPS for a Gaussian transform-limited pulse and show good agreement with the theory. Given the fundamental pulse bandwidth, a narrower SHG bandwidth with relatively high intensity can be obtained by simply increasing the number of binary phases. The experimental results also verify that our method is superior to that proposed in [Phys. Rev. A 46, 2749 (1992), 10.1103/PhysRevA.46.2749]. This method will significantly facilitate the applications of selective two-photon microscopy and spectroscopy. Moreover, as it can introduce negative dispersion, hence it can also be generalized to other applications in the field of dispersion compensation.
Theoretical and experimental study of actinide complexes with monoamides and organophosphorus ligands in solution

International Nuclear Information System (INIS)

Ribokaite, Kristina

2013-01-01

Monoamides and organophosphate are of great interest for the nuclear fuel cycle. Such ligands can selectively extract actinides in liquid-liquid extraction processes. The structure of the extractant (its functional group and its alkyl substituents) has a predominant role in the selective separation of actinides. This thesis concerns the theoretical and experimental studies of model systems in the aim of better understanding of the effect on molecular structures of the complexes. Structures of actinides complexes formed with model ligands in simple media (water or methanol in the presence of nitrate ions) have been characterized. At first, the complexation of uranyl by monoamide and phosphine oxide was studied in water and methanol. Molecular Dynamics simulations and DFT calculations were used to quantify the stability of uranyl complexes with those ligands, and to determine their structural properties. The theoretical results were then compared with experimental results obtained by UV-visible, infrared, Raman and EXAFS on the same chemical systems. The results were used to highlight the greater stability of uranyl complexes with phosphine oxide and monoamides. Further spectroscopic measurements combined with molecular modeling were used to gain a better understanding of the coordination mode of nitrate ion around the uranyl in both water and methanol. Finally, DFT calculations were used to study the influence of the structure of the monoamide or organophosphorus ligand and their interaction with the actinides (IV, VI) including steric effects in the first coordination sphere. (author) [fr
Theoretical and experimental stress analyses of ORNL thin-shell cylinder-to-cylinder model 2

International Nuclear Information System (INIS)

Gwaltney, R.C.; Bolt, S.E.; Bryson, J.W.

1975-10-01

Model 2 in a series of four thin-shell cylinder-to-cylinder models was tested, and the experimentally determined elastic stress distributions were compared with theoretical predictions obtained from a thin-shell finite-element analysis. Both the cylinder and the nozzle of model 2 had outside diameters of 10 in., giving a d 0 /D 0 ratio of 1.0, and both had outside diameter/thickness ratios of 100. Sixteen separate loading cases in which one end of the cylinder was rigidly held were analyzed. An internal pressure loading, three mutually perpendicular force components, and three mutually perpendicular moment components were individually applied at the free end of the cylinder and at the end of the nozzle. In addition to these 13 loadings, 3 additional loads were applied to the nozzle (in-plane bending moment, out-of-plane bending moment, and axial force) with the free end of the cylinder restrained. The experimental stress distributions for each of the 16 loadings were obtained using 152 three-gage strain rosettes located on the inner and outer surfaces. All the 16 loading cases were also analyzed theoretically using a finite-element shell analysis. The analysis used flat-plate elements and considered five degrees of freedom per node in the final assembled equations. The comparisons between theory and experiment show reasonably good general agreement, and it is felt that the analysis would be satisfactory for most engineering purposes. (auth)
Thermodynamic properties and equilibrium constant of chemical reaction in nanosystem: An theoretical and experimental study

International Nuclear Information System (INIS)

Du, Jianping; Zhao, Ruihua; Xue, Yongqiang

2012-01-01

Highlights: ► There is an obvious influence of the size on thermodynamic properties for the reaction referring nano-reactants. ► Gibbs function, enthalpy, entropy and equilibrium constant are dependent on the reactant size. ► There is an approximate linear relation between them. - Abstract: The theoretical relations of thermodynamic properties, the equilibrium constant and reactant size in nanosystem are described. The effects of size on thermodynamic properties and the equilibrium constant were studied using nanosize zinc oxide and sodium bisulfate solution as a reaction system. The experimental results indicated that the molar Gibbs free energy, the molar enthalpy and the molar entropy of the reaction decrease, but the equilibrium constant increases with decreasing reactant size. Linear trends were observed between the reciprocal of size for nano-reactant and thermodynamic variable, which are consistent with the theoretical relations.
Experimental and theoretical investigation of the first-order hyperpolarizability of a class of triarylamine derivatives

International Nuclear Information System (INIS)

Silva, Daniel L.; Fonseca, Ruben D.; Mendonca, Cleber R.; De Boni, Leonardo; Vivas, Marcelo G.; Ishow, E.; Canuto, Sylvio

2015-01-01

This paper reports on the static and dynamic first-order hyperpolarizabilities of a class of push-pull octupolar triarylamine derivatives dissolved in toluene. We have combined hyper-Rayleigh scattering experiment and the coupled perturbed Hartree-Fock method implemented at the Density Functional Theory (DFT) level of theory to determine the static and dynamic (at 1064 nm) first-order hyperpolarizability (β HRS ) of nine triarylamine derivatives with distinct electron-withdrawing groups. In four of these derivatives, an azoaromatic unit is inserted and a pronounceable increase of the first-order hyperpolarizability is reported. Based on the theoretical results, the dipolar/octupolar character of the derivatives is determined. By using a polarizable continuum model in combination with the DFT calculations, it was found that although solvated in an aprotic and low dielectric constant solvent, due to solvent-induced polarization and the frequency dispersion effect, the environment substantially affects the first-order hyperpolarizability of all derivatives investigated. This statement is supported due to the solvent effects to be essential for the better agreement between theoretical results and experimental data concerning the dynamic first-order hyperpolarizability of the derivatives. The first-order hyperpolarizability of the derivatives was also modeled using the two- and three-level models, where the relationship between static and dynamic first hyperpolarizabilities is given by a frequency dispersion model. Using this approach, it was verified that the dynamic first hyperpolarizability of the derivatives is satisfactorily reproduced by the two-level model and that, in the case of the derivatives with an azoaromatic unit, the use of a damped few-level model is essential for, considering also the molecular size of such derivatives, a good quantitative agreement between theoretical results and experimental data to be observed
Theoretical and experimental estimation of the lead equivalent for some materials used in finishing of diagnostic x-ray rooms in Syria

International Nuclear Information System (INIS)

Shwekani, R.; Suman, H.; Takeyeddin, M.; Suleiman, J.

2003-11-01

This work aimed at estimating the lead equivalent values for finishing materials, which are frequently used in Syria. These materials are ceramic and marble. In the past, many studies were performed to estimate the lead equivalent values for different types of bricks, which are widely used in Syria. Therefore, this work could be considered as a follow up in order to be able to estimate the structural shielding of diagnostic X-ray rooms and accurately perform the shielding calculations to reduce unnecessary added shields. The work was done in two ways, theoretical using MCNP computer code and experimental in the secondary standard laboratory. The theoretical work was focused on generalizing the results scope to cover the real existing variations in the structure of the materials used in the finishing or the variations in the X-ray machines. Therefore, quantifying different sources of errors were strongly focused on using the methodology of sensitivity analysis. While, the experiment measurements were performed to make sure that their results will be within the error range produced by the theoretical study. The obtained results showed a strong correlation between theoretical and experimental data. (author)

Comparative antioxidant status in freshwater fish Carassius auratus exposed to six current-use brominated flame retardants: A combined experimental and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Feng, Mingbao; Qu, Ruijuan; Wang, Chao; Wang, Liansheng; Wang, Zunyao, E-mail: wangzun315cn@163.com

2013-09-15

Highlights: •A combined experimental and theoretical approach was used for risk assessments of six BFRs in fish. •Oxidative stress biomarkers were measured for toxicity identification. •Toxicity order was proposed via the integrated biomarker response. •Theoretical calculations were performed to analyze the BFRs toxicity. -- Abstract: Decabromodiphenyl ether (BDE-209) and several non-polybrominated diphenyl ether (PBDE) brominated flame retardants (BFRs), such as tetrabromobisphenol A (TBBPA), hexabromocyclododecane (HBCD), decabromodiphenyl ethane (DBDPE), hexabromobenzene (HBB) and pentabromotoluene (PBT), are persistent halogenated contaminants ubiquitously detected in aquatic systems. However, data on comparative toxicological effects of these BFRs are lacking for fish. In this study, a combined experimental and theoretical approach was used to compare and analyze the effects of these BFRs on biochemical biomarkers in liver of Carassius auratus injected intraperitoneally with different doses (10 and 100 mg/kg) for 7, 14 and 30 days. Oxidative stress was evoked evidently for the prolonged exposure, represented by the significantly altered indices (superoxide dismutase, catalase, glutathione peroxidase, reduced glutathione, and malondialdehyde). The integrated biomarker response (IBR) index ranked biotoxicity as: PBT > HBB > HBCD > TBBPA > BDE-209 > DBDPE. Quantum chemical calculations (electronic parameters, frontier molecular orbitals, and Wiberg bond order) were performed for theoretical analysis. Notably, some descriptors were correlated with the toxicity order, probably implying the existence of a potential structure–activity relationship when more BFRs were included. Besides, theoretical calculations also provided some valuable information regarding the molecular characteristics and metabolic pathways of these current-use BFRs, which may facilitate the understanding on their environmental behavior and fate. Overall, this study adopted a combined
Experimental and theoretical evidence for fluctuation driven activations in an excitable chemical system

Science.gov (United States)

Hastings, Harold; Sobel, Sabrina; Field, Richard; Minchenberg, Scott; Spinelli, Nicole; Zauderer, Keith

2011-03-01

An excitable medium is a system in which small perturbations die out, but sufficiently large perturbations generate large ``excitations.'' Biological examples include neurons and the heart; the latter supports waves of excitation normally generated by the sinus node, but occasionally generated by other mechanisms. The ferroin-catalyzed Belousov-Zhabotinsky reaction is the prototype chemical excitable medium. We present experimental and theoretical evidence for that random fluctuations can generate excitations in the Belousov-Zhabothinsky reaction. Although the heart is significantly different, there are some scaling analogies. This material is based upon work supported by the Department of Energy under Award Number DE-FG02-08ER64623.
Theoretical and experimental study of image formation in scanning transmission electron microscopy

International Nuclear Information System (INIS)

Prunier epouse Mory, Claudie

1985-01-01

This thesis contains a theoretical and experimental study of image formation in a dedicated scanning transmission electron microscope (STEM). Using a detailed description of the different optical elements between the field emission source and the specimen, one calculates the shape and size of the primary probe of electrons impinging on the sample. This modelization enables to estimate the spatial resolution in the different imaging or microanalytical modes. The influence of the specimen and the role of the various detectors are taken into account to calculate the point spread function of the instrument in STEM imaging modes. An experimental study of the characteristic properties of phase contrast bright field micrographs and incoherent dark field ones is performed by comparison of digitally recorded images in similar conditions. Spatial resolution, contrast and signal/noise ratio are assessed by correlation methods, Fourier analysis and statistical considerations; one can deduce the optimum focusing conditions. Limits such as the point resolution on quasi-atomic metallic clusters are determined and an analysis of the capabilities of signal mixing concludes this work. Applications are offered in various domains such as the visualisation of small metallic particles, biomolecules and unstained biological sections. (author) [fr
Experimental and theoretical burnup investigations on model arrangements with solid burnable poisons

International Nuclear Information System (INIS)

Ahlf, J.; Anders, D.; Greim, L.; Knoth, J.; Kolb, M.; Mittelstaedt, B.; Mueller, A.; Schwenke, H.

1975-01-01

It is the scope of the two experiments here to improve the methods for computation and measurement as well as the experimental technique appropriate to predict the burnable poison rod burn-up with sufficient accuracy. In the first experiment two nine-rod bundles in a 3 x 3 arrangement are irradiated during several irradiation periods in the research reactor Geesthacht. Each bundle consists of eight outer rods containing fuel and one inner rod containing poison (B 10 or Cd 113). The burn-up of the fuel and the burnable poison is measured by non-destructive methods after each irradiation period and then compared with results of a burn-up calculation. In the second experiment two poison rods with different cadmium concentrations and one rod containing boron are irradiated during several irradiation periods in the research reactor Geesthacht. The burn-up is determined after each irradiation period by reactivity measurements and its result compared to computed effective absorption cross-sections of the rods by aid of a calibration curve. For both experiments the experimental and theoretical results for the poison burn-up are found to be within the error limits of the measurements. (orig.) [de
Experimental and theoretical investigations on solid burnable poison burnup of model arrangements

International Nuclear Information System (INIS)

Ahlf, J.; Anders, D.; Greim, L.; Knoth, J.; Kolb, M.; Mittelstaedt, B.; Mueller, A.; Schwenke, H.

1975-01-01

It is the scope of the two experiments reported here to improve the methods for computation and measurement as well as the experimental technique appropriate to predict the burnable poison rod burn-up with sufficient accuracy. In the first experiment two nine-rod bundles in a 3 x 3 arrangement are irradiated during several irradiation periods in the research reactor Geesthacht. Each bundle consists of eight outer rods containing fuel and one inner rod containing poison (B 10 or Cd 113). The burn-up of the fuel and the burnable poison is measured by non-destructive methods after each irradiation period and then compared with results of a burn-up calculation. In the second experiment two poison rods with different cadmium concentrations and one rod containing boron are irradiated during several irradiation periods in the research reactor Geesthacht. The burn-up is determined after each irradiation period by reactivity measurements and its result compared to computed effective absorption cross-sections of the rods by aid of a calibration curve. For both experiments the experimental and theoretical results for the poison burn-up are found to be within the error limits of the measurements. (orig.) [de
Theoretical and experimental study of AC electrical conduction mechanism in the low temperature range of p-CuIn3Se5

Science.gov (United States)

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

2018-05-01

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

NARCIS (Netherlands)

Blutner, R.; Németh T., E.; Bibok, K.

2010-01-01

The article has three main concerns: (i) it gives a concise introduction into optimality-theoretic pragmatics; (ii) it discusses the relation to alternative accounts (relevance theory and Levinson's theory of presumptive meanings); (iii) it reviews recent findings concerning the psychological
The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.

Science.gov (United States)

Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar

2016-07-15

The Diels-Alder reaction enables introduction of new functionalities onto the resorcinarene skeleton with simultaneous generation of new stereogenic centers and expansion of the internal cavity. We present highly regio- and diastereoselective inverse electron demand oxa-Diels-Alder reactions of resorcinarene ortho-quinone methide with benzofuran and indene, each generating 12 new stereogenic centers. The mechanism and reasons for regioselectivity and diastereoselectivity were analyzed using theoretical calculations (NBO charges, Fukui functions, transition state energies, and thermodynamic stability of the products). Enantiomers were separated, and their configurations were determined by comparison of experimental and theoretical electronic circular dichroism spectra.
Modeling of air-gap membrane distillation process: A theoretical and experimental study

KAUST Repository

Alsaadi, Ahmad Salem

2013-06-03

A one dimensional (1-D) air gap membrane distillation (AGMD) model for flat sheet type modules has been developed. This model is based on mathematical equations that describe the heat and mass transfer mechanisms of a single-stage AGMD process. It can simulate AGMD modules in both co-current and counter-current flow regimes. The theoretical model was validated using AGMD experimental data obtained under different operating conditions and parameters. The predicted water vapor flux was compared to the flux measured at five different feed water temperatures, two different feed water salinities, three different air gap widths and two MD membranes with different average pore sizes. This comparison showed that the model flux predictions are strongly correlated with the experimental data, with model predictions being within +10% of the experimentally determined values. The model was then used to study and analyze the parameters that have significant effect on scaling-up the AGMD process such as the effect of increasing the membrane length, and feed and coolant flow rates. The model was also used to analyze the maximum thermal efficiency of the AGMD process by tracing changes in water production rate and the heat input to the process along the membrane length. This was used to understand the gain in both process production and thermal efficiency for different membrane surface areas and the resultant increases in process capital and water unit cost. © 2013 Elsevier B.V.
Model of twelve properties of a set of organic solvents with graph-theoretical and/or experimental parameters.

Science.gov (United States)

Pogliani, Lionello

2010-01-30

Twelve properties of a highly heterogeneous class of organic solvents have been modeled with a graph-theoretical molecular connectivity modified (MC) method, which allows to encode the core electrons and the hydrogen atoms. The graph-theoretical method uses the concepts of simple, general, and complete graphs, where these last types of graphs are used to encode the core electrons. The hydrogen atoms have been encoded by the aid of a graph-theoretical perturbation parameter, which contributes to the definition of the valence delta, delta(v), a key parameter in molecular connectivity studies. The model of the twelve properties done with a stepwise search algorithm is always satisfactory, and it allows to check the influence of the hydrogen content of the solvent molecules on the choice of the type of descriptor. A similar argument holds for the influence of the halogen atoms on the type of core electron representation. In some cases the molar mass, and in a minor way, special "ad hoc" parameters have been used to improve the model. A very good model of the surface tension could be obtained by the aid of five experimental parameters. A mixed model method based on experimental parameters plus molecular connectivity indices achieved, instead, to consistently improve the model quality of five properties. To underline is the importance of the boiling point temperatures as descriptors in these last two model methodologies. Copyright 2009 Wiley Periodicals, Inc.
An experimental and theoretical investigation of spray characteristics of impinging jets in impact wave regime

Science.gov (United States)

Rodrigues, N. S.; Kulkarni, V.; Gao, J.; Chen, J.; Sojka, P. E.

2015-03-01

The current study focuses on experimentally and theoretically improving the characterization of the drop size and drop velocity for like-on-like doublet impinging jets. The experimental measurements were made using phase Doppler anemometry (PDA) at jet Weber numbers We j corresponding to the impact wave regime of impinging jet atomization. A more suitable dynamic range was used for PDA measurements compared to the literature, resulting in more accurate experimental measurements for drop diameters and velocities. There is some disagreement in the literature regarding the ability of linear stability analysis to accurately predict drop diameters in the impact wave regime. This work seeks to provide some clarity. It was discovered that the assumed uniform jet velocity profile was a contributing factor for deviation between diameter predictions based on models in the literature and experimental measurements. Analytical expressions that depend on parameters based on the assumed jet velocity profile are presented in this work. Predictions based on the parabolic and 1/7th power law turbulent profiles were considered and show better agreement with the experimental measurements compared to predictions based on the previous models. Experimental mean drop velocity measurements were compared with predictions from a force balance analysis, and it was observed that the assumed jet velocity profile also influences the predicted velocities, with the turbulent profile agreeing best with the experimental mean velocity. It is concluded that the assumed jet velocity profile has a predominant effect on drop diameter and velocity predictions.
Molecular hyperpolarizabilities of push–pull chromophores: A comparison between theoretical and experimental results

Energy Technology Data Exchange (ETDEWEB)

Capobianco, A. [Dipartimento di Fisica E.R. Caianiello, Università di Salerno, via ponte don Melillo, I-84084 Fisciano (Italy); Centore, R. [Dipartimento di Chimica P. Corradini, Università di Napoli, via Cintia, I-80126 Napoli (Italy); Noce, C. [Dipartimento di Fisica E.R. Caianiello, Università di Salerno, via ponte don Melillo, I-84084 Fisciano (Italy); Peluso, A., E-mail: apeluso@unisa.it [Dipartimento di Chimica e Biologia, Università di Salerno, via ponte don Melillo, I-84084 Fisciano (Italy)

2013-01-16

Highlights: ► Electro-optical determined and MP2/DFT computed NLO properties have been compared. ► Significant dependence of dipole moments of elongated NLO chromophores on conformations has been found. ► A thorough comparison between MP2 and DFT/TD-DFT computational approaches has been carried out. ► The two-state model overestimates hyperpolarizability. - Abstract: Electric dipole moments and static first order hyperpolarizabilities of two push–pull molecules with an extended π electron systems have been evaluated at different computational levels and compared with the results of electro-optical absorption measurements, based on the two state model. Calculations show that: (i) the dipole moments of such elongated systems depend significantly on conformation, a thorough conformational search is necessary for a meaningful comparison between theoretical and experimental results; (ii) DFT methods, in particular CAM-B3LYP and M05-2X, yield dipole moments which compare well with those obtained by post Hartree–Fock methods (MP2) and by EOA measurements; (iii) theoretical first order hyperpolarizabilities are largely underestimated, both by MP2 and DFT methods, possibly because of the failure of two state model used in electro-optical measurements.
Experimental and theoretical investigations on condensation heat transfer at very low pressure to improve power plant efficiency

International Nuclear Information System (INIS)

Berrichon, J.D.; Louahlia-Gualous, H.; Bandelier, Ph.; Bariteau, N.

2014-01-01

Highlights: • Theoretical model for condensation heat transfer at very low pressure is developed using only one iterative loop. • Experimental results on steam and air steam condensation heat transfer at very low pressure are presented. • The developed model gives the good predictions for local condensation heat transfer at low pressure. • A maximal deterioration of 50% in condensation heat transfer is obtained at low pressure for air fraction of 4%. • A new correlation including effect of a wavy film surface for steam condensation at low pressure is suggested. - Abstract: This paper presents experimental investigation on the influence of very low pressure on local and average condensation heat transfer in a vertical tube. Furthermore, this paper develops an analytical study for film condensation heat transfer coefficient in the presence of non-condensable gas inside a vertical tube. The condensate film thickness is calculated for each location in a tube using mass and heat transfer analogy. The effects of interfacial shear stress and waves on condensate film surface are included in the model. The comparative studies show that the present model well predicts the experimental data of Khun et al. [1]for local condensation of steam air mixture at high pressure. Different correlations defined for condensation heat transfer are evaluated. It is found that the correlations of Cavallini and Zecchin [2] and Shah [3] are the closest to the calculated steam condensation local heat transfer coefficient. The model gives a satisfactory accuracy with the experimental results for condensation heat transfer at very low pressure. The mean deviation between the predictions of the theoretical model with the measurements for pure saturated vapor is 12%. Experimental data show that the increase of air fraction to 4% deteriorates condensation heat transfer at low pressure up to 50%
Theoretical and experimental investigation of atomic radiative lifetimes and hyperfine structures

International Nuclear Information System (INIS)

Joensson, Per.

1992-01-01

Atomic radiative lifetimes and hyperfine structures as well as other properties, such as total energy and specific mass shift, have been studied theoretically and experimentally. Computer programs to calculate hyperfine structure constants from non-relativistic multiconfiguration Hartree-Fock (MCHF) and relativistic multi-configuration Dirac-Fock (MCDF) wavefunctions have been written. Using these programs large-scale calculations of hyperfine structures in lithium and sodium have been performed. It is shown, that the MCHF method is able to predict hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex sodium atom an accuracy of a few per cent is obtainable. For lithium convergence of the total energy, ionization energy, specific mass shift and hyperfine parameters has been studied with the MCHF method. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay curves following VUV excitation, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver were measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest P states in sodium and silver
Theoretical and experimental studies of runaway electrons in the TEXTOR tokamak

International Nuclear Information System (INIS)

Abdullaev, S.S.; Finken, K.H.; Wongrach, K.; Willi, O.

2016-01-01

Theoretical and experimental studies of runaway electrons in tokamaks and their mitigations, particularly the recent studies performed by a group of the Heinrich-Heine University Duesseldorf in collaboration with the Institute of Energy and Climate Research of the Research Centre (Forschungszentrum) of Juelich are reviewed. The main topics focus on (i) runaway generation mechanisms, (ii) runaway orbits in equilibrium plasma, (iii) transport in stochastic magnetic fields, (iv) diagnostics and investigations of transport of runaway electron and their losses in low density discharges (v) runaway electrons during plasma disruptions, and (vi) runaway mitigation methods. The development of runaway diagnostics enables the measurement of runaway electrons in both the centre and edge of the plasma. The diagnostics provide an absolute runaway energy resolved measurement, the radial decay length of runaway electrons and, the structure and dynamics of runaway electron beams. The new mechanism of runaway electron formation during plasma disruptions is discussed.
Theoretical and experimental studies of runaway electrons in the TEXTOR tokamak

Energy Technology Data Exchange (ETDEWEB)

Abdullaev, S.S.; Finken, K.H.; Wongrach, K.; Willi, O.

2016-07-01

Theoretical and experimental studies of runaway electrons in tokamaks and their mitigations, particularly the recent studies performed by a group of the Heinrich-Heine University Duesseldorf in collaboration with the Institute of Energy and Climate Research of the Research Centre (Forschungszentrum) of Juelich are reviewed. The main topics focus on (i) runaway generation mechanisms, (ii) runaway orbits in equilibrium plasma, (iii) transport in stochastic magnetic fields, (iv) diagnostics and investigations of transport of runaway electron and their losses in low density discharges (v) runaway electrons during plasma disruptions, and (vi) runaway mitigation methods. The development of runaway diagnostics enables the measurement of runaway electrons in both the centre and edge of the plasma. The diagnostics provide an absolute runaway energy resolved measurement, the radial decay length of runaway electrons and, the structure and dynamics of runaway electron beams. The new mechanism of runaway electron formation during plasma disruptions is discussed.
Theoretical and Experimental Studies of Elementary Particle Physics

Energy Technology Data Exchange (ETDEWEB)

Evans, Harold G [Indiana University; Kostelecky, V Alan [Indiana University; Musser, James A [Indiana University

2013-07-29

The elementary particle physics research program at Indiana University spans a broad range of the most interesting topics in this fundamental field, including important contributions to each of the frontiers identified in the recent report of HEPAP's Particle Physics Prioritization Panel: the Energy Frontier, the Intensity Frontier, and the Cosmic Frontier. Experimentally, we contribute to knowledge at the Energy Frontier through our work on the D0 and ATLAS collaborations. We work at the Intensity Frontier on the MINOS and NOvA experiments and participate in R&D for LBNE. We are also very active on the theoretical side of each of these areas with internationally recognized efforts in phenomenology both in and beyond the Standard Model and in lattice QCD. Finally, although not part of this grant, members of the Indiana University particle physics group have strong involvement in several astrophysics projects at the Cosmic Frontier. Our research efforts are divided into three task areas. The Task A group works on D0 and ATLAS; Task B is our theory group; and Task C contains our MINOS, NOvA, and LBNE (LArTPC) research. Each task includes contributions from faculty, senior scientists, postdocs, graduate and undergraduate students, engineers, technicians, and administrative personnel. This work was supported by DOE Grant DE-FG02-91ER40661. In the following, we describe progress made in the research of each task during the final period of the grant, from November 1, 2009 to April 30, 2013.
Magnetic anisotropy of dysprosium(III) in a low-symmetry environment: a theoretical and experimental investigation.

Science.gov (United States)

Bernot, Kevin; Luzon, Javier; Bogani, Lapo; Etienne, Mael; Sangregorio, Claudio; Shanmugam, Muralidharan; Caneschi, Andrea; Sessoli, Roberta; Gatteschi, Dante

2009-04-22

A mixed theoretical and experimental approach was used to determine the local magnetic anisotropy of the dysprosium(III) ion in a low-symmetry environment. The susceptibility tensor of the monomeric species having the formula [Dy(hfac)(3)(NIT-C(6)H(4)-OEt)(2)], which contains nitronyl nitroxide (NIT-R) radicals, was determined at various temperatures through angle-resolved magnetometry. These results are in agreement with ab initio calculations performed using the complete active space self-consistent field (CASSCF) method, validating the predictive power of this theoretical approach for complex systems containing rare-earth ions, even in low-symmetry environments. Susceptibility measurements performed with the applied field along the easy axis eventually permitted a detailed analysis of the temperature and field dependence of the magnetization, providing evidence that the Dy ion transmits an antiferromagnetic interaction between radicals but that the Dy-radical interaction is ferromagnetic.
Development and experimental evaluation of theoretical models for ion cyclotron resonance frequency heating of tokamak plasmas

Energy Technology Data Exchange (ETDEWEB)

Mantsinen, M. [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

1999-06-01

Heating with electromagnetic waves in the ion cyclotron range of frequencies (ICRF) is a well-established method for auxiliary heating of present-day tokamak plasmas and is envisaged as one of the main heating techniques for the International Thermonuclear Experimental Reactor (ITER) and future reactor plasmas. In order to predict the performance of ICRF heating in future machines, it is important to benchmark present theoretical modelling with experimental results on present tokamaks. This thesis reports on development and experimental evaluation of theoretical models for ICRF heating at the Joint European Torus (JET). Several ICRF physics effects and scenarios have been studied. Direct importance to the ITER is the theoretical analysis of ICRF heating experiments with deuterium-tritium (D-T) plasmas. These experiments clearly demonstrate the potential of ICRF heating for auxiliary heating of reactor plasmas. In particular, scenarios with potential for good bulk ion heating and enhanced D-T fusion reactivity have been identified. Good bulk ion heating is essential for reactor plasmas in order to obtain a high ion temperature and a high fusion reactivity. In JET good bulk ion heating with ICRF waves has been achieved in high-performance discharges by adding ICRF heating to neutral beam injection. In these experiments, as in other JET discharges where damping at higher harmonics of the ion cyclotron frequency takes place, so-called finite Larmor radius (FLR) effects play an important role. Due to FLR effects, the resonating ion velocity distribution function can have a strong influence on the power deposition. Evidence for this effect has been obtained from the third harmonic deuterium heating experiments. Because of FLR effects, the wave-particle interaction can also become weak at certain ion energies, which prevents resonating ions from reaching higher energies. When interacting with the wave, an ion receives not only a change in energy but also a change in
Theoretical model and experimental validation of a direct-expansion solar assisted heat pump for domestic hot water applications

International Nuclear Information System (INIS)

Moreno-Rodríguez, A.; González-Gil, A.; Izquierdo, M.; Garcia-Hernando, N.

2012-01-01

This paper has shown the development of a theoretical model to determine the operating parameters and consumption of a domestic hot water (DHW) installation, which uses a direct-expansion solar assisted heat pump (DXSAHP) with refrigerant R-134a, a compressor with a rated capacity of 1.1 kW and collectors with a total area of 5.6 m 2 . The model results have been compared and validated the experimental results obtained with the equipment installed at the University Carlos III, South of Madrid. The analysis was conducted over the course of a year, and the results have been represented depending on the meteorological and process variables of several representative days. Taking into account the thermal losses of the installation and the dependency on the operating conditions, the acquired experimental coefficient of performance is between 1.7 and 2.9, while the DHW tank temperature over the course of the study is 51 °C. -- Highlights: ► The study aims to present a new theoretical model and an experimental validation. ► The experimental COP vary between 1.7 and 2.9 (max. condensation temperature 57 °C). ► The operating parameters respond to the solar radiation. The COP may increase up to 50%. ► The useful surface area varies between 50% and 85% of the total surface. ► The system stops if conditions exceed the maximum value of the absorbed heat.

A High Temperature Experimental and Theoretical Study of the Unimolecular Dissociation of 1,3,5-Trioxane

KAUST Repository

Alquaity, Awad B. S.; Giri, Binod Raj; Lo, John M.H.; Farooq, Aamir

2015-01-01

Unimolecular dissociation of 1,3,5-trioxane was investigated experimentally and theoretically over a wide range of conditions. Experiments were performed behind reflected shock waves over the temperature range of 775-1082 K and pressures near 900 Torr using a high-repetition rate time of flight mass spectrometer (TOF-MS) coupled to a shock tube (ST). Reaction products were identified directly, and it was found that formaldehyde is the sole product of 1,3,5-trioxane dissociation. Reaction rate coefficients were extracted by the best fit to the experimentally measured concentration-time histories. Additionally, high-level quantum chemical and RRKM calculations were employed to study the falloff behavior of 1,3,5-trioxane dissociation. Molecular geometries and frequencies of all species were obtained at the B3LYP/cc-pVTZ, MP2/cc-pVTZ, and MP2/aug-cc-pVDZ levels of theory, whereas the single-point energies of the stationary points were calculated using coupled cluster with single and double excitations including the perturbative treatment of triple excitation (CCSD(T)) level of theory. It was found that the dissociation occurs via a concerted mechanism requiring an energy barrier of 48.3 kcal/mol to be overcome. The new experimental data and theoretical calculations serve as a validation and extension of kinetic data published earlier by other groups. Calculated values for the pressure limiting rate coefficient can be expressed as log10 k∞ (s-1) = [15.84 - (49.54 (kcal/mol)/2.3RT)] (500-1400 K). © 2015 American Chemical Society.
A High Temperature Experimental and Theoretical Study of the Unimolecular Dissociation of 1,3,5-Trioxane

KAUST Repository

Alquaity, Awad B. S.

2015-05-15

Unimolecular dissociation of 1,3,5-trioxane was investigated experimentally and theoretically over a wide range of conditions. Experiments were performed behind reflected shock waves over the temperature range of 775-1082 K and pressures near 900 Torr using a high-repetition rate time of flight mass spectrometer (TOF-MS) coupled to a shock tube (ST). Reaction products were identified directly, and it was found that formaldehyde is the sole product of 1,3,5-trioxane dissociation. Reaction rate coefficients were extracted by the best fit to the experimentally measured concentration-time histories. Additionally, high-level quantum chemical and RRKM calculations were employed to study the falloff behavior of 1,3,5-trioxane dissociation. Molecular geometries and frequencies of all species were obtained at the B3LYP/cc-pVTZ, MP2/cc-pVTZ, and MP2/aug-cc-pVDZ levels of theory, whereas the single-point energies of the stationary points were calculated using coupled cluster with single and double excitations including the perturbative treatment of triple excitation (CCSD(T)) level of theory. It was found that the dissociation occurs via a concerted mechanism requiring an energy barrier of 48.3 kcal/mol to be overcome. The new experimental data and theoretical calculations serve as a validation and extension of kinetic data published earlier by other groups. Calculated values for the pressure limiting rate coefficient can be expressed as log10 k∞ (s-1) = [15.84 - (49.54 (kcal/mol)/2.3RT)] (500-1400 K). © 2015 American Chemical Society.
Experimental and theoretical investigation of droplet dispersion in venturi scrubbers with axial liquid injection

Energy Technology Data Exchange (ETDEWEB)

Mokhtarian, N.; Talaei, A.; Karimikhosroabadi, M. [Islamic Azad University, Shahreza Branch, Shahreza (Iran); Sadeghi, F. [Chemical Engineering Department, University of Isfahan, Isfahan (Iran); Talaie, M.R.

2009-05-15

Droplet dispersion in a Venturi scrubber with axial liquid injection was investigated both experimentally and theoretically. The main objective of this study was to develop a mathematical model to predict droplet dispersion in a Venturi scrubber with axial liquid injection. The effects of the Peclet number and droplet size distribution on droplet dispersion were studied using the developed model. Sampling of the droplets was carried out, isokinetically, in 16 positions at the end of the throat section. The experimental data were used to find the parameters of the developed model, such as the Peclet number. From the results of this study, it was found that the Peclet number was not constant across the cross section of the scrubber channel. In order to achieve a better agreement between the results of the model and the experimental data, it was required to consider Peclet number variations across the Venturi channel. It was also revealed that the parameter representing the width of the Rosin-Rammler distribution of droplet size could not be considered constant and it was influenced significantly by the operating parameters such as liquid flow rate and gas velocity. (Abstract Copyright [2009], Wiley Periodicals, Inc.)
Deviations between experimental and theoretical results in Ar (e, 3e) double ionization

International Nuclear Information System (INIS)

Jia, C C; Lahmam-Bennani, A; Cappello, C Dal; Duguet, A; Avaldi, L

2003-01-01

The coplanar (e, 3e) relative cross sections for double ionization of argon have been measured at an electron impact energy of E 0 = 561.4 eV and under equal energy sharing among the two 'ejected' electrons, E b = E c = 9 eV. The scattering angle is fixed to θ a = 1.5 degrees, corresponding to a momentum transfer K=0.4 au to the target. The experimental results have been compared with calculations in the first Born approximation, which include only first-order processes in the target-projectile interaction. The comparison shows severe deviations between the experimental and theoretical results. These deviations are much larger than the ones previously observed in helium under comparable kinematics. To fill this gap between theory and experiment, a decisive improvement in the theory is needed. This can be achieved by improving the first-order calculations and by including higher-order processes such as the two-step mechanism, or even new mechanisms, for instance the simultaneous ejection of the pair of target electrons. (letter to the editor)
Experimental and theoretical evaluation of nanodiamonds as pH triggered drug carriers

KAUST Repository

Yan, Jingjing

2012-01-01

Nanodiamond (ND) and its derivatives have been widely used for drug, protein and gene delivery. Herein, experimental and theoretical methods have been combined to investigate the effect of pH on the delivery of doxorubicin (DOX) from fluorescein labeled NDs (Fc-NDs). In the endosomal recycling process, the nanoparticle will pass from mildly acidic vesicle to pH ≈ 4.8; thus, it is important to investigate DOX release from NDs at different pH values. Fc-NDs released DOX dramatically under acidic conditions, while an increase in the DOX loading efficiency (up to 6.4 wt%) was observed under basic conditions. Further theoretical calculations suggest that H + weakens the electrostatistic interaction between ND surface carboxyl groups and DOX amino groups, and the interaction energies at pH < 7, pH 7 and pH > 7 are 10.4 kcal mol -1, 25.0 kcal mol -1 and 27.0 kcal mol -1 respectively. Cellular imaging experiments show that Fc-NDs are readily ingested by breast adenocarcinoma (BA) cells and cell viability tests prove that they can be utilized as a safe drug delivery vehicle. Furthermore, pH triggered DOX release has been tested in vitro (pH 7.4 and pH 4.83) in breast adenocarcinoma (BA) cells. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2012.
Theoretical and experimental investigation of a rectenna element for microwave power transmission

Science.gov (United States)

Mcspadden, James O.; Yoo, Taewhan; Chang, Kai

1992-01-01

A microstrip measurement system has been designed to analyze packaged GaAs Schottky barrier diodes under small and large signal conditions. The nonlinear equivalent circuit parameters of the diode are determined using a small signal test method that analyzes the diode's scattering parameters at various bias levels. The experimental results of a 2.45 GHz diode are verified using a nonlinear circuit simulation program based on a multireflection algorithm. A 35 GHz rectenna has been built using a microstrip patch antenna and Ka-band mixer diode. The measured efficiency was 29 percent at 120 mW input power. A frequency selective surface is designed using an equivalent circuit model to reduce the second harmonic radiations for a 2.45 GHz rectenna. Theoretical results are found to be in fairly good agreement with experiments.
Theoretical and experimental cross sections for neutron reactions on 64Zinc

International Nuclear Information System (INIS)

Rutherford, D.A.

1987-01-01

Accurate measurements of the 64 Zn (n,2n) 64 Cu and 64 Zn (n,p) 63 Zn cross sections at 14.8 MeV have been made using a Texas Nuclear Neutron Generator and the activation technique. A NaI(T1) spectrometer (using two 6'' x 6'' NaI detectors/crystals) was used to measure the gamma radiation emitted in coincidence from the positron-emitting decay products. The measurements were made relative to 65 Cu (n,2n) /64/Cu and 63 Cu (n,2n) 62 Cu cross sections, which have similar half-lives, radiation emission, and were previously measured to high accuracy (2 percent). The value obtained for the (n,2n) measurement was 199 /+-/ 6 millibarns, and a value of 176 /+-/ 4.5 millibarns was obtained for the (n,p) measurement. In concert, a theoretical analysis of neutron induced reactions on /64/Zn was performed at Los Alamos National Laboratory using the Hauser-Feshbach statistical theory in the GNASH code over an energy range of 100 keV to 20 MeV. Calculations included width fluctuation corrections, direct reaction contributions, and preequilibrium corrections above 6 MeV. Neutron optical model potentials were determined for zinc. The theoretical values agree with the new 14.8 MeV measurements approximately within experimental error, with calculations of 201 millibarns for the (n,2n) cross section and 170 millibarns for the (n,p) cross section. Results from the analysis will be made available in National Evaluated Nuclear Data Format (ENDF/B) for fusion energy applications. 50 refs., 34 figs., 10 tabs
An experimental and theoretical study of molecular structure and vibrational spectra of 2-methylphenyl boronic acid by density functional theory calculations

Science.gov (United States)

Hiremath, Sudhir M.; Hiremath, C. S.; Khemalapure, S. S.; Patil, N. R.

2018-05-01

This paper reports the experimental and theoretical study on the structure and vibrations of 2-Methylphenyl boronic acid (2MPBA). The different spectroscopic techniques such as FT-IR (4000-400 cm-1) and FT-Raman (4000-50 cm-1) of the title molecule in the solid phase were recorded. The geometry of the molecule was fully optimized using density functional theory (DFT) (B3LYP) with 6-311++G(d, p) basis set calculations. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. Vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. The calculated wavenumbers showed the best agreement with the experimental results. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.
Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

KAUST Repository

Silver, Scott; Yin, Jun; Li, Hong; Bredas, Jean-Luc; Kahn, Antoine

2018-01-01

This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1
Insights into Glycol Ether-Alkanol Mixtures from a Combined Experimental and Theoretical Approach.

Science.gov (United States)

Alcalde, Rafael; Gutiérrez, Alberto; Atilhan, Mert; Trenzado, José Luis; Aparicio, Santiago

2017-06-08

The binary liquid mixtures of glycol ethers (glymes) + 1-alkanol were characterized from the microscopic and macroscopic viewpoints through a combined experimental and theoretical study. Structuring, dynamics, and intermolecular forces were determined using density functional theory and classical molecular dynamics methods. The macroscopic behavior was studied though the measurement of relevant physicochemical properties and Raman IR studies. The changes in intermolecular forces with mixture composition, temperature, and the effects from the types of glymes as well as 1-alkanols were considered. Hydrogen bonding in the mixed fluids, its changes upon mixing, and mixture composition showed a large effect on fluids' structure and determined most of the fluids' properties together with the presence of hydrophobic domains from long 1-alkanols.
Parameters and error of a theoretical model

International Nuclear Information System (INIS)

Moeller, P.; Nix, J.R.; Swiatecki, W.

1986-09-01

We propose a definition for the error of a theoretical model of the type whose parameters are determined from adjustment to experimental data. By applying a standard statistical method, the maximum-likelihoodlmethod, we derive expressions for both the parameters of the theoretical model and its error. We investigate the derived equations by solving them for simulated experimental and theoretical quantities generated by use of random number generators. 2 refs., 4 tabs
Special course on modern theoretical and experimental approaches to turbulent flow structure and its modelling

Energy Technology Data Exchange (ETDEWEB)

1987-08-01

The large eddy concept in turbulent modeling and techniques for direct simulation are discussed. A review of turbulence modeling is presented along with physical and numerical aspects and applications. A closure model for turbulent flows is presented and routes to chaos by quasi-periodicity are discussed. Theoretical aspects of transition to turbulence by space/time intermittency are covered. The application to interpretation of experimental results of fractal dimensions and connection of spatial temporal chaos are reviewed. Simulation of hydrodynamic flow by using cellular automata is discussed.
An experimental and theoretical analysis of the aerodynamic characteristics of a biplane-winglet configuration. M.D. Thesis

Science.gov (United States)

Gall, P. D.

1984-01-01

Improving the aerodynamic characteristics of an airplane with respect to maximizing lift and minimizing induced and parasite drag are of primary importance in designing lighter, faster, and more efficient aircraft. Previous research has shown that a properly designed biplane wing system can perform superiorly to an equivalent monoplane system with regard to maximizing the lift-to-drag ratio and efficiency factor. Biplanes offer several potential advantages over equivalent monoplanes, such as a 60-percent reduction in weight, greater structural integrity, and increased roll response. The purpose of this research is to examine, both theoretically and experimentally, the possibility of further improving the aerodynamic characteristics of the biplanes configuration by adding winglets. Theoretical predictions were carried out utilizing vortex-lattice theory, which is a numerical method based on potential flow theory. Experimental data were obtained by testing a model in the Pennsylvania State University's subsonic wind tunnel at a Reynolds number of 510,000. The results showed that the addition of winglets improved the performance of the biplane with respect to increasing the lift-curve slope, increasing the maximum lift coefficient, increasing the efficiency factor, and decreasing the induced drag. A listing of the program is included in the Appendix.
An experimental and theoretical investigation of the mechanical behavior of multilayer initially curved microplates under electrostatic actuation

KAUST Repository

Saghir, Shahid

2017-04-07

We investigate the static and dynamic behavior of a multilayer clamped-free-clamped-free (CFCF) microplate, which is made of polyimide, gold, chromium, and nickel. The microplate is slightly curved away from a stationary electrode and is electrostatically actuated. The free and forced vibrations of the microplate are examined. First, we experimentally investigate the variation of the first natural frequency under the electrostatic DC load. Then, the forced dynamic behavior is investigated by applying a harmonic AC voltage superimposed to a DC voltage. Results are shown demonstrating the transition of the dynamic response of the microplate from hardening to softening as the DC voltage is changed as well the dynamic pull-in phenomenon. For theoretical model, we adopt a dynamic analog of the von-Karman governing equations accounting for initial curvature imperfection. These equations are then used to develop a reduced order model based on the Galerkin procedure to simulate the mechanical behavior of the microplate. We compare the theoretical results with experimental data and show excellent agreement among the results. We also examine the effect of the initial rise on the natural frequencies of first three symmetric-symmetric modes of the plate.
Magnetism in RRhGe (R = Tb, Dy, Er, Tm): An experimental and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Gupta, Sachin [Department of Physics, Indian Institute of Technology Bombay, Mumbai 400076 (India); Suresh, K.G., E-mail: suresh@phy.iitb.ac.in [Department of Physics, Indian Institute of Technology Bombay, Mumbai 400076 (India); Nigam, A.K. [Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India); Lukoyanov, A.V. [Institute of Metal Physics, Russian Academy of Sciences, Ural Branch, Yekaterinburg 620137 (Russian Federation); Ural Federal University, Yekaterinburg 620002 (Russian Federation)

2015-08-15

Highlights: • RRhGe (R = Tb, Dy, Er, Tm) compounds show low temperature antiferromagnetic ordering. • All compounds show field induced metamagnetic transitions. • Some of these compounds show large magnetocaloric effect and magnetoresistance. • Change of sign in MR take place on temperature variation. - Abstract: RRhGe (R = Tb, Dy, Er, Tm) compounds have been studied by different experimental probes and theoretical ab initio calculations. These compounds show very interesting magnetic and transport properties. All the compounds are antiferromagnetic with some of them showing spin-reorientation transition at low temperatures. The magnetocaloric effect estimated from magnetization data shows high values in all these compounds. Magnetoresistance is negative near the ordering temperatures and positive at low temperatures. The electronic structure calculations accounting for electronic correlations in the 4f rare-earth shell reveal the closeness of the antiferromagnetic ground state and other types of magnetic orderings in the rare-earth sublattice. These calculations are also in agreement with the experimental results.
Experimental and theoretical binding affinity between polyvinylpolypyrrolidone and selected phenolic compounds from food matrices.

Science.gov (United States)

Durán-Lara, Esteban F; López-Cortés, Xaviera A; Castro, Ricardo I; Avila-Salas, Fabián; González-Nilo, Fernando D; Laurie, V Felipe; Santos, Leonardo S

2015-02-01

Polyvinylpolypyrrolidone (PVPP) is a fining agent, widely used in winemaking and brewing, whose mode of action in removing phenolic compounds has not been fully characterised. The aim of this study was to evaluate the experimental and theoretical binding affinity of PVPP towards six phenolic compounds representing different types of phenolic species. The interaction between PVPP and phenolics was evaluated in model solutions, where hydroxyl groups, hydrophobic bonding and steric hindrance were characterised. The results of the study indicated that PVPP exhibits high affinity for quercetin and catechin, moderate affinity for epicatechin, gallic acid and lower affinity for 4-methylcatechol and caffeic acid. The affinity has a direct correlation with the hydroxylation degree of each compound. The results show that the affinity of PVPP towards phenols is related with frontier orbitals. This work demonstrates a direct correlation between the experimental affinity and the interaction energy calculations obtained through computational chemistry methods. Copyright © 2014 Elsevier Ltd. All rights reserved.
Theoretical and experimental studies on ionic currents in nanopore-based biosensors.

Science.gov (United States)

Liu, Lei; Li, Chu; Ma, Jian; Wu, Yingdong; Ni, Zhonghua; Chen, Yunfei

2014-12-01

Novel generation of analytical technology based on nanopores has provided possibilities to fabricate nanofluidic devices for low-cost DNA sequencing or rapid biosensing. In this paper, a simplified model was suggested to describe DNA molecule's translocation through a nanopore, and the internal potential, ion concentration, ionic flowing speed and ionic current in nanopores with different sizes were theoretically calculated and discussed on the basis of Poisson-Boltzmann equation, Navier-Stokes equation and Nernst-Planck equation by considering several important parameters, such as the applied voltage, the thickness and the electric potential distributions in nanopores. In this way, the basic ionic currents, the modulated ionic currents and the current drops induced by translocation were obtained, and the size effects of the nanopores were carefully compared and discussed based on the calculated results and experimental data, which indicated that nanopores with a size of 10 nm or so are more advantageous to achieve high quality ionic current signals in DNA sensing.
Experimental and theoretical studies on radiation protective effect of a lighter non-lead protective apron

International Nuclear Information System (INIS)

Takano, Yoshihisa; Ono, Koji; Okazaki, Keiichiro

2005-01-01

Non-lead aprons using composite materials are often used for radiation protective aprons instead of heavy lead aprons. However, the protective effect of the lighter, non-lead aprons has not been well evaluated, and it is not yet clear how they compare with lead aprons. Therefore, we investigated the protective performance of non-lead aprons theoretically and experimentally by comparing them with lead aprons under clinical conditions. We measured the energy spectra for direct and scattered-rays passing through protective aprons or not, and measured doses with glass dosimeters for validation of theoretical calculations based on the energy spectra. We found that the protective effect of non-lead aprons was higher than that of lead aprons at X-ray of tube voltages of 70-100 kV, which are often used for radiography and fluorography. This demonstrated that the non-lead aprons are more useful in many situations than heavy lead aprons. (author)
4pnp J=0e-2e autoionizing series of calcium: experimental and theoretical analysis

International Nuclear Information System (INIS)

Bolovinos, A.; Luc-Koenig, E.; Assimopoulos, S.; Lyras, A.; Karapanagioti, N.E.; Crete Univ., Iraklion; Charalambidis, D.; Crete Univ., Iraklion; Aymar, M.

1996-01-01

The even parity 4pnp J=0, 1, 2 doubly excited autoionizing states of neutral calcium in an atomic beam are investigated by a two-step isolated core excitation (ICE) method using two different combinations of polarization of the laser beams. The different excited energy levels are assigned to nine autoionizing Rydberg series 4p 1/2,3/2 np J=0, 1, 2 for 8≤n≤22. The theoretical interpretation is achieved by a combination of the eigenchannel R-matrix theory and the multichannel quantum defect (MQDT) method. Two, five and six closed interacting channels are introduced for the J=0, J=1 and J=2 series respectively. Theoretical energy level positions, autoionization widths and excitation profiles are compared with the experimental data, confirming the identification of the observed structures and providing evidence of extended mixing between the 4p 1/2 np and 4p 3/2 np series. (orig.). With 9 figs., 3 tabs
Theoretical nuclear physics

CERN Document Server

Blatt, John M

1979-01-01

A classic work by two leading physicists and scientific educators endures as an uncommonly clear and cogent investigation and correlation of key aspects of theoretical nuclear physics. It is probably the most widely adopted book on the subject. The authors approach the subject as ""the theoretical concepts, methods, and considerations which have been devised in order to interpret the experimental material and to advance our ability to predict and control nuclear phenomena.""The present volume does not pretend to cover all aspects of theoretical nuclear physics. Its coverage is restricted to

Backward Dependencies and in-Situ wh-Questions as Test Cases on How to Approach Experimental Linguistics Research That Pursues Theoretical Linguistics Questions

Science.gov (United States)

Pablos, Leticia; Doetjes, Jenny; Cheng, Lisa L.-S.

2018-01-01

The empirical study of language is a young field in contemporary linguistics. This being the case, and following a natural development process, the field is currently at a stage where different research methods and experimental approaches are being put into question in terms of their validity. Without pretending to provide an answer with respect to the best way to conduct linguistics related experimental research, in this article we aim at examining the process that researchers follow in the design and implementation of experimental linguistics research with a goal to validate specific theoretical linguistic analyses. First, we discuss the general challenges that experimental work faces in finding a compromise between addressing theoretically relevant questions and being able to implement these questions in a specific controlled experimental paradigm. We discuss the Granularity Mismatch Problem (Poeppel and Embick, 2005) which addresses the challenges that research that is trying to bridge the representations and computations of language and their psycholinguistic/neurolinguistic evidence faces, and the basic assumptions that interdisciplinary research needs to consider due to the different conceptual granularity of the objects under study. To illustrate the practical implications of the points addressed, we compare two approaches to perform linguistic experimental research by reviewing a number of our own studies strongly grounded on theoretically informed questions. First, we show how linguistic phenomena similar at a conceptual level can be tested within the same language using measurement of event-related potentials (ERP) by discussing results from two ERP experiments on the processing of long-distance backward dependencies that involve coreference and negative polarity items respectively in Dutch. Second, we examine how the same linguistic phenomenon can be tested in different languages using reading time measures by discussing the outcome of four self
Backward Dependencies and in-Situ wh-Questions as Test Cases on How to Approach Experimental Linguistics Research That Pursues Theoretical Linguistics Questions.

Science.gov (United States)

Pablos, Leticia; Doetjes, Jenny; Cheng, Lisa L-S

2017-01-01

The empirical study of language is a young field in contemporary linguistics. This being the case, and following a natural development process, the field is currently at a stage where different research methods and experimental approaches are being put into question in terms of their validity. Without pretending to provide an answer with respect to the best way to conduct linguistics related experimental research, in this article we aim at examining the process that researchers follow in the design and implementation of experimental linguistics research with a goal to validate specific theoretical linguistic analyses. First, we discuss the general challenges that experimental work faces in finding a compromise between addressing theoretically relevant questions and being able to implement these questions in a specific controlled experimental paradigm. We discuss the Granularity Mismatch Problem (Poeppel and Embick, 2005) which addresses the challenges that research that is trying to bridge the representations and computations of language and their psycholinguistic/neurolinguistic evidence faces, and the basic assumptions that interdisciplinary research needs to consider due to the different conceptual granularity of the objects under study. To illustrate the practical implications of the points addressed, we compare two approaches to perform linguistic experimental research by reviewing a number of our own studies strongly grounded on theoretically informed questions. First, we show how linguistic phenomena similar at a conceptual level can be tested within the same language using measurement of event-related potentials (ERP) by discussing results from two ERP experiments on the processing of long-distance backward dependencies that involve coreference and negative polarity items respectively in Dutch. Second, we examine how the same linguistic phenomenon can be tested in different languages using reading time measures by discussing the outcome of four self
Backward Dependencies and in-Situ wh-Questions as Test Cases on How to Approach Experimental Linguistics Research That Pursues Theoretical Linguistics Questions

Directory of Open Access Journals (Sweden)

Leticia Pablos

2018-01-01

Full Text Available The empirical study of language is a young field in contemporary linguistics. This being the case, and following a natural development process, the field is currently at a stage where different research methods and experimental approaches are being put into question in terms of their validity. Without pretending to provide an answer with respect to the best way to conduct linguistics related experimental research, in this article we aim at examining the process that researchers follow in the design and implementation of experimental linguistics research with a goal to validate specific theoretical linguistic analyses. First, we discuss the general challenges that experimental work faces in finding a compromise between addressing theoretically relevant questions and being able to implement these questions in a specific controlled experimental paradigm. We discuss the Granularity Mismatch Problem (Poeppel and Embick, 2005 which addresses the challenges that research that is trying to bridge the representations and computations of language and their psycholinguistic/neurolinguistic evidence faces, and the basic assumptions that interdisciplinary research needs to consider due to the different conceptual granularity of the objects under study. To illustrate the practical implications of the points addressed, we compare two approaches to perform linguistic experimental research by reviewing a number of our own studies strongly grounded on theoretically informed questions. First, we show how linguistic phenomena similar at a conceptual level can be tested within the same language using measurement of event-related potentials (ERP by discussing results from two ERP experiments on the processing of long-distance backward dependencies that involve coreference and negative polarity items respectively in Dutch. Second, we examine how the same linguistic phenomenon can be tested in different languages using reading time measures by discussing the outcome of
Charge state distribution of 16O from the 4He(12C,16O)γ reaction of astrophysical interest studied both experimentally and theoretically

International Nuclear Information System (INIS)

Liu, Shengjin; Sakurai, Makoto; Sagara, Kenshi; Teranishi, Takashi; Fujita, Kunihiro; Yamaguchi, Hiroyuki; Matsuda, Sayaka; Mitsuzumi, Tatsuki; Iwazaki, Makoto; Rosary, Mariya T.; Kato, Daiji; Tolstikhina, I.Yu.

2014-01-01

In astrophysics, 4 He( 12 C, 16 O)γ reaction places an important role. At Kyushu University Tandem accelerator Laboratory (KUTL), the measurement of 4 He( 12 C, 16 O)γ cross section is in progress in the energy range of astrophysical nuclear reaction. Since the charge state of product 16 O ions after passing through the gas target is spread and only one charge state can be measured at terminal detector, it is necessary to know the charge state distribution of 16 O ions passing through the He gas target precisely. Here, we report the charge state distribution of the 16 O recoils both experimentally and theoretically. Experimentally, we measured the equilibrium charge state distribution of 16 O ions in the windowless helium gas target with the beam energy of primary 16 O ions at 7.2, 4.5, and 3.45 MeV at KUTL. The measured results showed a Gaussian distribution for the charge state fraction. Theoretically, we proposed a framework for the charge state distribution study. Charge state distribution was computed by solving a set of differential equations including a series of charge exchange cross sections. For the ionization cross section, plane-wave Born approximation was applied and modified by taking target atomic screening as a function of momentum transfer into account. For the capture cross section, continuum distorted wave approximation was applied and the influence of the gas target density was taken into account in the process of electron capture. Using above charge exchange cross sections, the charge state evolution was simulated. According to the equilibrium distribution, we compared the theoretical calculation to the experimental data. After taking into account the density effects in the charge exchange process, the theoretical charge state distributions shows a good agreement with the experimental data. Both experimental and theoretical results are useful to understand the charge fraction of recoil oxygen created via 4 He( 12 C, 16 O)γ reaction
Hardening of particle/oil/water suspensions due to capillary bridges: Experimental yield stress and theoretical interpretation.

Science.gov (United States)

Danov, Krassimir D; Georgiev, Mihail T; Kralchevsky, Peter A; Radulova, Gergana M; Gurkov, Theodor D; Stoyanov, Simeon D; Pelan, Eddie G

2018-01-01

Suspensions of colloid particles possess the remarkable property to solidify upon the addition of minimal amount of a second liquid that preferentially wets the particles. The hardening is due to the formation of capillary bridges (pendular rings), which connect the particles. Here, we review works on the mechanical properties of such suspensions and related works on the capillary-bridge force, and present new rheological data for the weakly studied concentration range 30-55 vol% particles. The mechanical strength of the solidified capillary suspensions, characterized by the yield stress Y, is measured at the elastic limit for various volume fractions of the particles and the preferentially wetting liquid. A quantitative theoretical model is developed, which relates Y with the maximum of the capillary-bridge force, projected on the shear plane. A semi-empirical expression for the mean number of capillary bridges per particle is proposed. The model agrees very well with the experimental data and gives a quantitative description of the yield stress, which increases with the rise of interfacial tension and with the volume fractions of particles and capillary bridges, but decreases with the rise of particle radius and contact angle. The quantitative description of capillary force is based on the exact theory and numerical calculation of the capillary bridge profile at various bridge volumes and contact angles. An analytical formula for Y is also derived. The comparison of the theoretical and experimental strain at the elastic limit reveals that the fluidization of the capillary suspension takes place only in a deformation zone of thickness up to several hundred particle diameters, which is adjacent to the rheometer's mobile plate. The reported experimental results refer to water-continuous suspension with hydrophobic particles and oily capillary bridges. The comparison of data for bridges from soybean oil and hexadecane surprisingly indicate that the yield strength is
An experimental and theoretical investigation of creep buckling

International Nuclear Information System (INIS)

Ohya, H.

1977-01-01

The purpose of the present paper is to investigate creep buckling phenomena and the methods of analysis. Creep buckling experiments were performed on aluminum alloy 2024-T4 cylindrical shells having radius to thickness ratios of 16, 25, 50 and 80, in single, double and triple step axial compression at 250 0 C. It was observed that buckling occurred at one of the edges and the buckling mode depended on the radius to thickness ratio and also on the applied stress level. Thicker cylinders buckled in axisymmetric mode. Thinner ones under higher applied stress levels buckled in the asymmetric mode, whereas they under lower applied stress levels buckled in the axisymmetric mode. Creep buckling times were obtained from end shortening record of the cylinders. Experimental results were compared with theoretical values obtained by the following two methods. One is a simplified method to estimate buckling times, proposed by Gerard et al., Papirno et al. and others. The method is based on the fact that the creep buckling solutions are analogous to those of plastic buckling under a certain assumption. It was found that the bukling times could be reasonably estimated by this simplified method. The other is a finite element computer program for axisymmetric thin shells. This program is based on the incremental theory and can treat thermoelastoplastic creep analysis of axisymmetric thin shells with large deflection. Creep deformation behavior of cylindrical shells under axial compression and buckling times were calculated by the program and the effects of plasticity on buckling times were also investigated
Combined experimental and theoretical study on the Raman and Raman optical activity signatures of pentamethylundecane diastereoisomers.

Science.gov (United States)

Drooghaag, Xavier; Marchand-Brynaert, Jacqueline; Champagne, Benoît; Liégeois, Vincent

2010-09-16

The synthesis and the separation of the four stereoisomers of 2,4,6,8,10-pentamethylundecane (PMU) are described together with their characterization by Raman spectroscopy. In parallel, theoretical calculations of the Raman and vibrational Raman optical activity (VROA) spectra are reported and analyzed in relation with the recorded spectra. A very good agreement is found between the experimental and theoretical spectra. The Raman spectra are also shown to be less affected by the change of configuration than the VROA spectra. Nevertheless, by studying the overlap between the theoretical Raman spectra, we show clear relationships between the spectral fingerprints and the structures displaying a mixture of the TGTGTGTG conformation of the (4R,6s,8S)-PMU (isotactic compound) with the TTTTTTTT conformation of the (4R,6r,8S)-PMU (syndiotactic compound). Then, the fingerprints of the VROA spectra of the five conformers of the (4R,8R)-PMU have been related to the fingerprints of the regular (TG)(N) isotactic compound as a function of the torsion angles. Since the (TT)(N) syndiotactic compound has no VROA signatures, the VROA spectroscopy is very sensitive to the helical structures, as demonstrated here.
Theoretical modeling and experimental validation of a torsional piezoelectric vibration energy harvesting system

Science.gov (United States)

Qian, Feng; Zhou, Wanlu; Kaluvan, Suresh; Zhang, Haifeng; Zuo, Lei

2018-04-01

Vibration energy harvesting has been extensively studied in recent years to explore a continuous power source for sensor networks and low-power electronics. Torsional vibration widely exists in mechanical engineering; however, it has not yet been well exploited for energy harvesting. This paper presents a theoretical model and an experimental validation of a torsional vibration energy harvesting system comprised of a shaft and a shear mode piezoelectric transducer. The piezoelectric transducer position on the surface of the shaft is parameterized by two variables that are optimized to obtain the maximum power output. The piezoelectric transducer can work in d 15 mode (pure shear mode), coupled mode of d 31 and d 33, and coupled mode of d 33, d 31 and d 15, respectively, when attached at different angles. Approximate expressions of voltage and power are derived from the theoretical model, which gave predictions in good agreement with analytical solutions. Physical interpretations on the implicit relationship between the power output and the position parameters of the piezoelectric transducer is given based on the derived approximate expression. The optimal position and angle of the piezoelectric transducer is determined, in which case, the transducer works in the coupled mode of d 15, d 31 and d 33.
Theoretical and Experimental Investigation of Heterojunction Interfaces

Science.gov (United States)

1983-11-01

every two surface atoms at the junction. In terms of our theoretical alchemy one proton must be added for every two surface atoms. Note that this...Chye. I. Lindau. P PianetU, C. M. Gamer , and W E Spicer, Phys Rev. B 17, 2682 11978|. "J. R. Waldrop and R W. Grant. Appl. Phys. Lett. 34. 630
A novel self-powered MR damper: theoretical and experimental analysis

International Nuclear Information System (INIS)

Xinchun, Guan; Hui, Li; Jinping, Ou; Yonghu, Huang; Yi, Ru

2015-01-01

This paper presents a novel magnetorheological (MR) damper with a self-powered capability, which is proposed to have energy harvesting and MR damping technologies integrated into a single device. Vibration energy harvesting mechanisms were adopted, based on ball-screw mechanisms and a rotary permanent magnet dc generator, to convert the external vibration energy into electrical energy to power the MR damping unit. The configuration and operating principles of the proposed self-powered MR damper were presented. Considering the core loss effect on the magnetic field, a theoretical analysis of the proposed MR damper was carried out and a mechanical model was developed. Finally, a prototype with a capacity of 10 kN was fabricated and experimentally investigated in both the direct-supply mode and the supply-with-rectifier mode. The results indicated that the proposed configuration is feasible and that both modes can realize good self-adaptability of the MR damping force. However, the direct-supply mode has a sag effect in the force–displacement curve and provides a lower energy-dissipating capacity than the direct-supply mode does under the same conditions. (paper)
Density response to central electron heating: theoretical investigations and experimental observations in ASDEX Upgrade

Science.gov (United States)

Angioni, C.; Peeters, A. G.; Garbet, X.; Manini, A.; Ryter, F.; ASDEX Upgrade Team

2004-08-01

Theory of ion temperature gradient (ITG) and trapped electron modes (TEMs) is applied to the study of particle transport in experimental conditions with central electron heating. It is shown that in the unstable domain of TEMs, the electron thermodiffusive flux is directed outwards. By means of such a flux, a mechanism is identified likely to account for density flattening with central electron heating. Theoretical predictions are compared with experimental observations in ASDEX Upgrade. A parameter domain (including L- and H-mode plasmas) is identified, in which flattening with central electron heating is observed in the experiments. In general, this domain turns out to be the same domain in which the dominant plasma instability is a TEM. On the contrary, the dominant instability is an ITG in plasmas whose density profile is not affected significantly by central electron heating. The flattening predicted by quasi-linear theory for low density L-mode plasmas is too small compared to the experimental observations. At very high density, even when the dominant instability is an ITG, electron heating can provide density flattening, via the coupling with the ion heat channel. In these conditions the anomalous diffusivity increases in response to the increased ion heat flux, while the large collisionality makes the anomalous pinch small and the Ware pinch important.
Selenium passivation of GaAs(001): a combined experimental and theoretical study

International Nuclear Information System (INIS)

Gonzalez, C; Benito, I; Ortega, J; Jurczyszyn, L; Blanco, J M; Perez, R; Flores, F; Kampen, T U; Zahn, D R T; Braun, W

2004-01-01

The chemical and electronic properties of selenium passivated GaAs(001)-2 x 1 surfaces were investigated by a combination of theoretical calculations and core level photoemission experiments. An anion exchange results in gallium-selenide like layers showing a 2 x 1 reconstruction in low energy electron diffraction (LEED). The analysis of the different components in the core level spectra of As 3d, Ga 3d and Se 3d limits the number of possible structural models. The Se/GaAs(001)-2 x 1 reconstruction has been also analysed by means of DFT-LDA calculations and theoretical STM currents. In a first step, different geometries are considered and the most stable one, from the point of view of the thermodynamic potential, is determined. Then, STM currents and the corresponding surface corrugation are calculated and compared with the experimental evidence. We conclude that the Se/GaAs(001)-2 x 1 reconstruction has a single Se atom in the last crystal layer, bonded to two Ga atoms of the second layer, and another Se layer replacing the third As layer of the crystal. These surfaces may be considered as chemically stable because they withstand considerable exposure to air. In terms of electronic passivation, i.e. the removal of any surface band bending, the selenium modification is not successful. Band bending on n-type doped samples is reduced while band bending on the p-type doped samples is further increased
Experimental study and theoretical simulation of the cross hardening effect in shape memory alloys

Science.gov (United States)

Movchan, A. A.; Sil'chenko, A. L.; Kazarina, S. A.

2017-10-01

The shapes and the relative position of martensitic inelasticity and forward transformation diagrams are experimentally studied. The strain dependences of the stress in loading under martensitic inelasticity conditions after an experiment on the accumulation of the forward transformation-induced strain at a constant or variable stress are investigated on titanium nickelide samples. It is found that the hardening of the martensite part of the representative volume of a shape memory alloy (titanium nickelide) after forward transformation under a nonmonotonically changing stress can be nonuniform. The cross hardening phenomenon is theoretically described in terms of the model of nonlinear deformation of a shape memory alloy during phase and structural transformations.
Theoretical and experimental investigation for SO3 production in SO2-rich astrophysical environments

International Nuclear Information System (INIS)

Bonfim, Víctor de Souza; Pilling, Sergio; Castilho, Roberto B; Baptista, Leonardo

2015-01-01

This work presents the results for the irradiation of pure SO 2 sample that was condensed in a preevacuated chamber, from Laboratório de Astroquímica e Astrobiologia (LASA/UNIVAP), at low temperature (12 K) and irradiated by ionizing photons which simulate Solar photons in the vacuum ultraviolet (VUV) and soft X-rays range. The infrared spectra of irradiated sample have presented the formation of SO 3 . Experimental formation cross section was determined. Theoretical investigations were performed at Second-order Moller- Plesset perturbation theory (MP2) level and indicate the most likely SO 3 formation channels vary with the reaction supporting medium. (paper)
Theoretical model and experimental verification on the PID tracking method using liquid crystal optical phased array

Science.gov (United States)

Wang, Xiangru; Xu, Jianhua; Huang, Ziqiang; Wu, Liang; Zhang, Tianyi; Wu, Shuanghong; Qiu, Qi

2017-02-01

Liquid crystal optical phased array (LC-OPA) has been considered with great potential on the non-mechanical laser deflector because it is fabricated using photolithographic patterning technology which has been well advanced by the electronics and display industry. As a vital application of LC-OPA, free space laser communication has demonstrated its merits on communication bandwidth. Before data communication, ATP (acquisition, tracking and pointing) process costs relatively long time to result in a bottle-neck of free space laser communication. Meanwhile, dynamic real time accurate tracking is sensitive to keep a stable communication link. The electro-optic medium liquid crystal with low driving voltage can be used as the laser beam deflector. This paper presents a fast-track method using liquid crystal optical phased array as the beam deflector, CCD as a beacon light detector. PID (Proportion Integration Differentiation) loop algorithm is introduced as the controlling algorithm to generate the corresponding steering angle. To achieve the goal of fast and accurate tracking, theoretical analysis and experimental verification are demonstrated that PID closed-loop system can suppress the attitude random vibration. Meanwhile, theoretical analysis shows that tracking accuracy can be less than 6.5μrad, with a relative agreement with experimental results which is obtained after 10 adjustments that the tracking accuracy is less than12.6μrad.
Theoretical and experimental investigation on internal reflectors in a single-slope solar still

International Nuclear Information System (INIS)

Karimi Estahbanati, M.R.; Ahsan, Amimul; Feilizadeh, Mehrzad; Jafarpur, Khosrow; Ashrafmansouri, Seyedeh-Saba; Feilizadeh, Mansoor

2016-01-01

Highlights: • The effect of installing an internal reflector in solar stills is investigated. • A mathematical model is presented which takes into account the effect of all walls. • The model is validated with the experimental data. • The internal reflector can increase yearly distillate production by 34%. • Cloud factor significantly decreases the effect of internal reflector. - Abstract: This study investigated the effect of an internal reflector (IR) on the productivity of a single-slope solar still (during the summer and winter) experimentally and theoretically. A mathematical model was presented which took into account the effect of all walls (north, south, west and east) of the still on the amount of received solar radiation to brine, and the model was validated with the experimental data. The model can calculate the yield of the still with and without IR on various walls. The results show that the simultaneous use of IR on front and side walls enhances the still’s efficiency by 18%. However, installation of an IR on the back wall can increase the annual efficiency by 22%. The installation of IRs on all walls in comparison to a still without IR can increase the distillate production at winter, summer and the entire year by 65%, 22% and 34%, respectively. Furthermore, the effect of cloud factor on the installation of IRs on all walls was examined, and the results indicate that the increasing the cloud factor decreases the influence of IRs significantly.
Combined experimental and theoretical study of the mechanism and enantioselectivity of palladium-catalyzed intermolecular Heck coupling

DEFF Research Database (Denmark)

Henriksen, Signe Teuber; Norrby, Per-Ola; Kaukoranta, Päivi

2008-01-01

. The steric interactions in this transition state fully account for the enantioselectivity observed with the ligands studied. The calculations also predict relative reactivity and nonlinear mixing effects for the investigated ligands; these predictions are fully validated by experimental testing. Finally......The asymmetric Heck reaction using P,N-ligands has been studied by a combination of theoretical and experimental methods. The reaction follows Halpern-style selectivity; that is, the major isomer is produced from the least favored form of the pre-insertion intermediate. The initially formed Ph......, the low conversion observed with some catalysts was found to be caused by inactivation due to weak binding of the ligand to Pd(0). Adding monodentate PPh3 alleviated the precipitation problem without deteriorating the enantioselectivity and led to one of the most effective catalytic systems to date....
Experimental and theoretical investigation of anaerobic fluidized bed biofilm reactors

Directory of Open Access Journals (Sweden)

M. Fuentes

2009-09-01

Full Text Available This work presents an experimental and theoretical investigation of anaerobic fluidized bed reactors (AFBRs. The bioreactors are modeled as dynamic three-phase systems. Biochemical transformations are assumed to occur only in the fluidized bed zone. The biofilm process model is coupled to the system hydrodynamic model through the biofilm detachment rate; which is assumed to be a first-order function of the energy dissipation parameter and a second order function of biofilm thickness. Non-active biomass is considered to be particulate material subject to hydrolysis. The model includes the anaerobic conversion for complex substrate degradation and kinetic parameters selected from the literature. The experimental set-up consisted of two mesophilic (36±1ºC lab-scale AFBRs (R1 and R2 loaded with sand as inert support for biofilm development. The reactor start-up policy was based on gradual increments in the organic loading rate (OLR, over a four month period. Step-type disturbances were applied on the inlet (glucose and acetic acid substrate concentration (chemical oxygen demand (COD from 0.85 to 2.66 g L-1 and on the feed flow rate (from 3.2 up to 6.0 L d-1 considering the maximum efficiency as the reactor loading rate switching. The predicted and measured responses of the total and soluble COD, volatile fatty acid (VFA concentrations, biogas production rate and pH were investigated. Regarding hydrodynamic and fluidization aspects, variations of the bed expansion due to disturbances in the inlet flow rate and the biofilm growth were measured. As rate coefficients for the biofilm detachment model, empirical values of 3.73⋅10(4 and 0.75⋅10(4 s² kg-1 m-1 for R1 and R2, respectively, were estimated.
Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies.

Science.gov (United States)

Ahmed, Arif; Lim, Dongwon; Choi, Cheol Ho; Kim, Sunghwan

2017-06-30

The theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive-mode (+) atmospheric-pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study. A parameter is devised by combining experimental MS data and high-level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange-correlation functions with the standard 6-311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations. All the molecules with ΔH toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI. The data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.
Action of Molecular Switches in GPCRs - Theoretical and Experimental Studies

Science.gov (United States)

Trzaskowski, B; Latek, D; Yuan, S; Ghoshdastider, U; Debinski, A; Filipek, S

2012-01-01

G protein coupled receptors (GPCRs), also called 7TM receptors, form a huge superfamily of membrane proteins that, upon activation by extracellular agonists, pass the signal to the cell interior. Ligands can bind either to extracellular N-terminus and loops (e.g. glutamate receptors) or to the binding site within transmembrane helices (Rhodopsin-like family). They are all activated by agonists although a spontaneous auto-activation of an empty receptor can also be observed. Biochemical and crystallographic methods together with molecular dynamics simulations and other theoretical techniques provided models of the receptor activation based on the action of so-called “molecular switches” buried in the receptor structure. They are changed by agonists but also by inverse agonists evoking an ensemble of activation states leading toward different activation pathways. Switches discovered so far include the ionic lock switch, the 3-7 lock switch, the tyrosine toggle switch linked with the nPxxy motif in TM7, and the transmission switch. The latter one was proposed instead of the tryptophan rotamer toggle switch because no change of the rotamer was observed in structures of activated receptors. The global toggle switch suggested earlier consisting of a vertical rigid motion of TM6, seems also to be implausible based on the recent crystal structures of GPCRs with agonists. Theoretical and experimental methods (crystallography, NMR, specific spectroscopic methods like FRET/BRET but also single-molecule-force-spectroscopy) are currently used to study the effect of ligands on the receptor structure, location of stable structural segments/domains of GPCRs, and to answer the still open question on how ligands are binding: either via ensemble of conformational receptor states or rather via induced fit mechanisms. On the other hand the structural investigations of homo- and heterodimers and higher oligomers revealed the mechanism of allosteric signal transmission and receptor

Ab-initio modeling of an iron laser-induced plasma: Comparison between theoretical and experimental atomic emission spectra

International Nuclear Information System (INIS)

Colgan, J.; Judge, E.J.; Kilcrease, D.P.; Barefield, J.E.

2014-01-01

We report on efforts to model the Fe emission spectrum generated from laser-induced breakdown spectroscopy (LIBS) measurements on samples of pure iron oxide (Fe 2 O 3 ). Our modeling efforts consist of several components. We begin with ab-initio atomic structure calculations performed by solving the Hartree–Fock equations for the neutral and singly ionized stages of Fe. Our energy levels are then adjusted to their experimentally known values. The atomic transition probabilities and atomic collision quantities are also computed in an ab-initio manner. We perform LTE or non-LTE calculations that generate level populations and, subsequently, an emission spectrum for the iron plasma for a range of electron temperatures and electron densities. Such calculations are then compared to the experimental spectrum. We regard our work as a preliminary modeling effort that ultimately strives towards the modeling of emission spectra from even more complex samples where less atomic data are available. - Highlights: • LIBS plasma of iron oxide • Ab-initio theoretical Modeling • Discussion of LTE versus non-LTE criteria and assessment • Boltzmann plots for Fe—determination of when LTE is a valid assumption • Emission spectra for Fe—comparison of theoretical modeling and measurement: good agreement obtained
Theoretical study for aerial image intensity in resist in high numerical aperture projection optics and experimental verification with one-dimensional patterns

Science.gov (United States)

Shibuya, Masato; Takada, Akira; Nakashima, Toshiharu

2016-04-01

In optical lithography, high-performance exposure tools are indispensable to obtain not only fine patterns but also preciseness in pattern width. Since an accurate theoretical method is necessary to predict these values, some pioneer and valuable studies have been proposed. However, there might be some ambiguity or lack of consensus regarding the treatment of diffraction by object, incoming inclination factor onto image plane in scalar imaging theory, and paradoxical phenomenon of the inclined entrance plane wave onto image in vector imaging theory. We have reconsidered imaging theory in detail and also phenomenologically resolved the paradox. By comparing theoretical aerial image intensity with experimental pattern width for one-dimensional pattern, we have validated our theoretical consideration.
Experimental and theoretical studies of cylindrical Hall thrusters

International Nuclear Information System (INIS)

Smirnov, Artem; Raitses, Yegeny; Fisch, Nathaniel J.

2007-01-01

The Hall thruster is a mature electric propulsion device that holds considerable promise in terms of the propellant saving potential. The annular design of the conventional Hall thruster, however, does not naturally scale to low power. The efficiency tends to be lower and the lifetime issues are more aggravated. Cylindrical geometry Hall thrusters have lower surface-to-volume ratio than conventional thrusters and, thus, seem to be more promising for scaling down. The cylindrical Hall thruster (CHT) is fundamentally different from the conventional design in the way the electrons are confined and the ion space charge is neutralized. The performances of both the large (9-cm channel diameter, 600-1000 W) and miniaturized (2.6-cm channel diameter, 50-300 W) CHTs are comparable with those of the state-of-the-art conventional (annular) design Hall thrusters of similar sizes. A comprehensive experimental and theoretical study of the CHT physics has been conducted, addressing the questions of electron cross-field transport, propellant ionization, plasma-wall interaction, and formation of the electron distribution function. Probe measurements in the harsh plasma environment of the microthruster were performed. Several interesting effects, such as the unusually high ionization efficiency and enhanced electron transport, were observed. Kinetic simulations suggest the existence of the strong fluctuation-enhanced electron diffusion and predict the non-Maxwellian shape of the electron distribution function. Through the acquired understanding of the new physics, ways for further optimization of this means for low-power space propulsion are suggested. Substantial flexibility in the magnetic field configuration of the CHT is the key tool in achieving the high-efficiency operation
Spectroscopic and vibrational analysis of the methoxypsoralen system: A comparative experimental and theoretical study

Science.gov (United States)

Liu, Y.; Yuan, H.; Vo-Dinh, T.

2013-03-01

Raman spectra measurements and density functional theory (DFT) calculations were performed to investigate three psoralens: 5-amino-8-methoxypsoralen (5-A-8-MOP), 5-methoxypsoralen (5-MOP) and 8-methoxypsoralen (8-MOP) with the aim of differentiating these similar bioactive molecules. The Raman spectra were recorded in the region 300-3500 cm-1. All three psoralens were found to have similar Raman spectrum in the region 1500-1650 cm-1. 5-A-8-MOP can be easily differentiated from 5-MOP or 8-MOP based on the Raman spectrum. The Raman spectrum differences at 651 and 795 cm-1 can be used to identify 5-MOP from 8-MOP. The theoretically computed vibrational frequencies and relative peak intensities were compared with experimental data. DFT calculations using the B3LYP method and 6-311++G(d,p) basis set were found to yield results that are very comparable to experimental Raman spectra. Detailed vibrational assignments were performed with DFT calculations and the potential energy distribution (PED) obtained from the Vibrational Energy Distribution Analysis (VEDA) program.
Theoretical and experimental investigation of the thermodynamic and kinetic nitrogen absorption by liquid alloys

Energy Technology Data Exchange (ETDEWEB)

Grigorenko, G.M.; Pomarin, Yu.M.; Orlovsky, V.Yu. [Natsional' na Akademyiya Nauk Ukrayini, Kiev (Ukraine). E.O. Paton Inst. of Electrical Welding

1999-07-01

The work was performed within the framework of the Ukrainian-French program of cooperation in the field of metal of high inclusion and was dedicated to joint fundamental investigation of thermodynamics and kinetics of nitrogen absorption by the Ni-20%Cr liquid alloy. The comparative investigations of kinetic absorption of nitrogen from the gas phase were performed by the method of levitation melting within the temperature range of 1600-1800 C in the atmosphere of pure nitrogen. Using the method of mathematical statistics and experimental Cp values at the different temperatures, the temperature dependence of the equilibrium constant of nitrogen solution reaction in the Ni-20%Cr alloy was obtained (lgK{sub N}=1284/T-1.94). Theoretical and graphical analysis of the experimental data allowed to make the conclusion that the absorption nitrogen process is controlled by the general kinetic equation of the first degree. Using of the aforementioned results the mass transfer factors were calculated with the different temperature and were obtained their mathematical description ({beta}{sub N}{sup Ni-Cr}=-454/T+0.285). (orig.)
Theoretical and experimental investigations of the damage and activation of pure iron under irradiation with energetic light ions

International Nuclear Information System (INIS)

Daum, E.

1996-10-01

In this report the applicability of light ion simulation irradiations with respect to the displacement damage under fusion neutron irradiation is investigated by theoretical and experimental activities. The production of primary knock-on atoms (PKA) and the displacement of lattice atoms (DPA) under proton and α-particle irradiation is considered in pure iron. The main focus is put on the effect of the non-elastic processes which are characterized by nuclear reactions and taken into account quantitatively for the first time. The profiles of the non-elastic PKA spectra can be characterized by the excitation functions of the corresponding nuclear reactions and by the mean recoil ranges of the residue nuclides. In this framework the excitation functions of proton- and α-particle-induced nuclear reactions leading to the long-lived nuclides from 57 Ni to 47 Sc are measured. The short-lived nuclides 53 Fe g , 53 Fe m , 52 Mn m and 52 V are investigated for the first time. The mean recoil ranges of the non-elastic PKA are experimentally determined by the same method. Based on theoretical calculations with nuclear and range models, non-elastic PKA spectra are obtained for all open reaction channels. (orig./WL)
Photophysical properties of chirality: Experimental and theoretical studies of (R)- and (S)-binaphthol derivatives as a prototype case

International Nuclear Information System (INIS)

Tsuboi, Taiju; An, Zhong-fu; Nakai, Yosuke; Yin, Jun; Chen, Run-feng; Shi, Hui-fang; Huang, Wei

2013-01-01

Highlights: ► The effect of chirality on photophysical properties was investigated. ► The same photophysics of enantiomers was observed in solutions. ► But different photoluminescent efficiency and lifetime were found in neat film. ► The different symmetry and formation probability of dimmers may be the main reason. ► The joint experimental and theoretical study explains these differences well. - Abstract: The key monomers of binaphthol-based chiral materials, (R)- and (S)- 6,6′-dibromo-2,2′-bis(octyloxy)- 1,1′-binaphthyl (R–M and S–M, respectively), were synthesized and characterized by UV–vis absorption spectra, circular dichroism (CD) spectra, photoluminescence (PL) lifetime, PL quantum efficiency at room temperature, together with PL spectra at various temperatures between 12 K and 296 K in both film and solution. The photophysical properties of R–M and S–M were investigated in detail with a joint experimental and theoretical study, in order to reveal the effects of chirality on the π-conjugated chiral systems. Higher photoluminescent quantum efficiency and better PL spectra purity in solid film of R–M were observed and discussed
ISSLS prize winner: integrating theoretical and experimental methods for functional tissue engineering of the annulus fibrosus.

Science.gov (United States)

Nerurkar, Nandan L; Mauck, Robert L; Elliott, Dawn M

2008-12-01

Integrating theoretical and experimental approaches for annulus fibrosus (AF) functional tissue engineering. Apply a hyperelastic constitutive model to characterize the evolution of engineered AF via scalar model parameters. Validate the model and predict the response of engineered constructs to physiologic loading scenarios. There is need for a tissue engineered replacement for degenerate AF. When evaluating engineered replacements for load-bearing tissues, it is necessary to evaluate mechanical function with respect to the native tissue, including nonlinearity and anisotropy. Aligned nanofibrous poly-epsilon-caprolactone scaffolds with prescribed fiber angles were seeded with bovine AF cells and analyzed over 8 weeks, using experimental (mechanical testing, biochemistry, histology) and theoretical methods (a hyperelastic fiber-reinforced constitutive model). The linear region modulus for phi = 0 degrees constructs increased by approximately 25 MPa, and for phi = 90 degrees by approximately 2 MPa from 1 day to 8 weeks in culture. Infiltration and proliferation of AF cells into the scaffold and abundant deposition of s-GAG and aligned collagen was observed. The constitutive model had excellent fits to experimental data to yield matrix and fiber parameters that increased with time in culture. Correlations were observed between biochemical measures and model parameters. The model was successfully validated and used to simulate time-varying responses of engineered AF under shear and biaxial loading. AF cells seeded on nanofibrous scaffolds elaborated an organized, anisotropic AF-like extracellular matrix, resulting in improved mechanical properties. A hyperelastic fiber-reinforced constitutive model characterized the functional evolution of engineered AF constructs, and was used to simulate physiologically relevant loading configurations. Model predictions demonstrated that fibers resist shear even when the shearing direction does not coincide with the fiber direction
New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach.

Science.gov (United States)

Anouar, E; Kosinová, P; Kozlowski, D; Mokrini, R; Duroux, J L; Trouillas, P

2009-09-21

Ferulic acid is widely distributed in the leaves and seeds of cereals as well as in coffee, apples, artichokes, peanuts, oranges and pineapples. Like numerous other natural polyphenols it exhibits antioxidant properties. It is known to act as a free radical scavenger by H atom transfer from the phenolic OH group. In the present joint experimental and theoretical studies we studied a new mechanism to explain such activities. Ferulic acid can indeed act by radical addition on the alpha,beta-double bond. On the basis of the identification of metabolites formed in an oxidative radiolytic solution and after DFT calculations, we studied the thermodynamic and kinetic aspects of this reaction. Addition and HAT reactions were treated as competitive reactions. The possibility of dimer formation was also investigated from a theoretical point of view; the high barriers we obtained contribute to explaining why we did not observe those compounds as major radiolytic compounds. The DPPH free radical scavenging capacity of ferulic acid and the oxidative products was measured and is discussed on the basis of DFT calculations (BDEs and spin densities).
Experimental and theoretical investigations on the behaviour of cracks in primary coolant piping

International Nuclear Information System (INIS)

Steinbuch, R.; Bartholome, G.; Felski, N.; Kastner, W.

1981-01-01

During the investigations of the government-sponsored R+D programs (RS 104 and RS 320) experimental and theoretical work has been performed to describe the leak before break behaviour and the extent of instable crack growth. The test pipes are 300 mm ID pipes made of 20MnMoNi55. Three of them had been welded to a pressure reservoir to simulate the situation of a real system of piping and components as related to hydrodynamics. The instrumentation of the specimen was designed to describe - temperature and pressure during failure - effect of reservoir on depressurisation - motion of the pipe - leakage area as function of time - crack arrest length. At two experiments the pressure dropped to saturation but in others for a short period the pressure was remarkably lower. (orig./GL)
ON THE APPLICATION OF PARTIAL BARRIERS FOR SPINNING MACHINE NOISE CONTROL: A THEORETICAL AND EXPERIMENTAL APPROACH

Directory of Open Access Journals (Sweden)

M. R. Monazzam, A. Nezafat

2007-04-01

Full Text Available Noise is one of the most serious challenges in modern community. In some specific industries, according to the nature of process, this challenge is more threatening. This paper describes a means of noise control for spinning machine based on experimental measurements. Also advantages and disadvantages of the control procedure are added. Different factors which may affect the performance of the barrier in this situation are also mentioned. To provide a good estimation of the control measure, a theoretical formula is also described and it is compared with the field data. Good agreement between the results of filed measurements and theoretical presented model was achieved. No obvious noise reduction was seen by partial indoor barriers in low absorbent enclosed spaces, since the reflection from multiple hard surfaces is the main dominated factor in the tested environment. At the end, the situation of the environment and standards, which are necessary in attaining the ideal results, are explained.
Protonation effects on the UV/Vis absorption spectra of imatinib: a theoretical and experimental study.

Science.gov (United States)

Grante, Ilze; Actins, Andris; Orola, Liana

2014-08-14

An experimental and theoretical investigation of protonation effects on the UV/Vis absorption spectra of imatinib showed systematic changes of absorption depending on the pH, and a new absorption band appeared below pH 2. These changes in the UV/Vis absorption spectra were interpreted using quantum chemical calculations. The geometry of various imatinib cations in the gas phase and in ethanol solution was optimized with the DFT/B3LYP method. The resultant geometries were compared to the experimentally determined crystal structures of imatinib salts. The semi-empirical ZINDO-CI method was employed to calculate the absorption lines and electronic transitions. Our study suggests that the formation of the extra near-UV absorption band resulted from an increase of imatinib trication concentration in the solution, while the rapid increase of the first absorption maximum could be attributed to both the formation of imatinib trication and tetracation. Copyright © 2014 Elsevier B.V. All rights reserved.
Theoretical and experimental methods to determine the properties of molten core components and reaction products. Pt. 2

International Nuclear Information System (INIS)

Nazare, S.; Ondracek, G.; Schulz, B.

1975-10-01

In the course of a loss of coolant accident, a sequence of events would be initiated that ultimately could lead to core melting. The course of these events and the consequences of core meltdown would in part be determined by the properties of the core materials and the products of their interaction. On the basis of available theoretical and experimental results, the report attempts an estimation of properties such as: 1) work of adhesion between UO 2 - and (U,Zr) liquid phase, 2) heat of fusion of some melts, 3) heat capacity of liquid reaction products, 4) viscosity of liquid reaction products, 5) thermal conductivity of liquid reaction products. Experimental work is suggested for those cases, where the estimates need to be improved or verified. (orig.) [de
Progress report of a research program in experimental and theoretical high energy physics, 1 January 1992--31 May 1992

International Nuclear Information System (INIS)

Brandenberger, R.; Cutts, D.; Fried, H.M.; Guralnik, G.; Jevicki, A.; King, K.; Lanou, R.E.; Partridge, R.; Tan, C.I.; Widgoff, M.

1992-01-01

This report discusses research at Brown University in experimental and theoretical high energy physics. Some of the research programs conducted are: interactions of leptons and hadrons form accelerator and astrophysical sources; hadron interactions with hydrogen and heavier nuclei; large volume detector at the Gran Sasso Laboratory; GEM collaboration at SSC; and hadron colliders and neutrino physics
A unified theoretical and experimental study of anisotropic hardening

International Nuclear Information System (INIS)

Boehler, J.P.; Raclin, J.

1981-01-01

The purpose of this work is to develop a consistent formulation of the constitutive relations regarding anisotropic hardening materials. Attention is focused on the appearance and the evolution of mechanical anisotropies during irreversible processes, such as plastic forming and inelastic deformation of structures. The representation theorems for anisotropic tensor functions constitute a theoretical basis, allowing to reduce arbitrariness and to obtain a unified formulation of anisotropic hardening. In this approach, a general three-dimensional constitutive law is developed for prestrained initially orthotropic materials. Introduction of the plastic behavior results in the general forms of both the flow-law and the yield criterion. The developed theory is then specialized for the case of plane stress and different modes of anisotropic hardening are analyzed. A new generalization of the Von Mises criterion is proposed, in considering a homogeneous form of order two in stress and employing the simplest combinations of the basic invariants entering the general form of the yield condition. The proposed criterion involves specific terms accounting for the initial anisotropy, the deformation induced anisotropy and correlative terms between initial and induced anisotropy. The effects of prestrainings result in both isotropic and anisotropic hardening. An adequate experimental program, consisting of uniaxial tensile tests on oriented specimens of prestrained sheet-metal, was performed, in order to determine the specific form and the evolution of the anisotropic failure criterion for soft-steel subjected to different irreversible prestrainings. (orig.)
Experimental and theoretical electron-beam-sustained CO2 laser output at approx. 200 and approx. 3000K

International Nuclear Information System (INIS)

Douglas-Hamilton, D.H.; Feinberg, R.M.; Lowder, R.S.

1975-01-01

A six-temperature kinetic model of the He : He 2 Co 2 : N 2 : CO laser system is developed, in which five temperatures describe the vibrational excitation of the three CO 2 modes, N 2 , and CO, while the sixth refers to the kinetic temperature. Theoretical predictions of gain and laser output are compared with experiments performed on an electron-beam sustained laser used at atmospheric pressure. Gain and laser measurements have been made with initial gas temperature near 200 and 300 degreeK. A stable discharge can be produced in this type of laser in gas mixtures containing no He, and successful electric laser operation has been demonstrated using H 2 as CO 2 ν 2 deactivant. Various gas mixtures have been investigated experimentally and theoretically; specific output J>100 J/liter atm was obtained both in He : N 2 : CO 2 : H 2 3 : 2 : 1 : 0 and 0 : 3 : 1 : 0.08, with efficiencies near 30%. While the gain measured appears to peak later and decay later than predicted, in all laser output measurements there is good agreement between theoretical prediction and experiment
Theoretical and Experimental Optical Evaluation and Comparison of Symmetric 2D CPC and V-Trough Collector for Photovoltaic Applications

Directory of Open Access Journals (Sweden)

Damasen Ikwaba Paul

2015-01-01

Full Text Available This paper presents theoretical and experimental optical evaluation and comparison of symmetric Compound Parabolic Concentrator (CPC and V-trough collector. For direct optical properties comparison, both concentrators were deliberately designed to have the same geometrical concentration ratio (1.96, aperture area, absorber area, and maximum concentrator length. The theoretical optical evaluation of the CPC and V-trough collector was carried out using a ray-trace technique while the experimental optical efficiency and solar energy flux distributions were analysed using an isolated cell PV module method. Results by simulation analysis showed that for the CPC, the highest optical efficiency was 95% achieved in the interval range of 0° to ±20° whereas the highest outdoor experimental optical efficiency was 94% in the interval range of 0° to ±20°. For the V-tough collector, the highest optical efficiency for simulation and outdoor experiments was about 96% and 93%, respectively, both in the interval range of 0° to ±5°. Simulation results also showed that the CPC and V-trough exhibit higher variation in non-illumination intensity distributions over the PV module surface for larger incidence angles than lower incidence angles. On the other hand, the maximum power output for the cells with concentrators varied depending on the location of the cell in the PV module.
Radiation emission phenomena in bent silicon crystals: Theoretical and experimental studies with 120 GeV/c positrons

International Nuclear Information System (INIS)

Lietti, D.; Bagli, E.; Baricordi, S.; Berra, A.; Bolognini, D.; Chirkov, P.N.; Dalpiaz, P.; Della Mea, G.; De Salvador, D.; Hasan, S.; Guidi, V.; Maisheev, V.A.

2012-01-01

The radiation emission phenomena in bent silicon crystals have been thoroughly investigated at the CERN SPS-H4 beamline. The incoming and outgoing trajectories of charged particles impinging on a silicon strip crystal have been reconstructed by high precision silicon microstrip detectors. A spectrometer method has been exploited to measure the radiation emission spectra both in volume reflection and in channeling. The theoretical method used to evaluate the photon spectra is presented and compared with the experimental results.
Comparison of theoretical estimates and experimental measurements of fatigue crack growth under severe thermal shock conditions (part two - theoretical assessment and comparison with experiment)

International Nuclear Information System (INIS)

Green, D.; Marsh, D.; Parker, R.

1984-01-01

This paper reports the theoretical assessment of cracking which may occur when a severe cycle comprising alternate upshocks and downshocks is applied to an axisymmetric feature with an internal, partial penetration weld and crevice. The experimental observations of cracking are reported separately. A good agreement was noted even though extensive cycle plasticity occurred at the location of cracking. It is concluded that the LEFM solution has correlated with the experiment mainly because of the axisymmetric geometry which allows a large hydrostatic stress to exist at the internal weld crevice end. Thus the stress at the crevice can approach the singular solution required for LEFM correlations without contributing to yielding
Experimental and theoretical studies into the stress-strain state of the purlin supported by sandwich panels

Directory of Open Access Journals (Sweden)

Danilov Aleksandr Ivanovich

2014-12-01

Full Text Available In the article, the co-authors analyze the findings of the experimental and theoretical studies into the real behaviour of a thin-walled cold-formed purlin as part of the roof structure made of sandwich panels. The roof structure fragment was tested; displacements and stresses, that the purlin was exposed to, were identified in respect of each loading increment. NASTRAN software was employed to perform the numerical analysis of the roof structure, pre-exposed to experimental tests, in the geometrically and physically non-linear setting. The finite element model, generated as a result (the numerical analysis pattern, is sufficiently well-set, given the proposed grid of elements, and it ensures reasonably trustworthy results. The diagrams describing the stress/displacement to the load ratio and obtained numerically are consistent with those generated experimentally. The gap between the critical loading values reaches 4%. Analytical and experimental findings demonstrate their close conformity, and this fact may justify the application of the numerical model, generated within the framework of this research project, in the course of any further research actions. The co-authors have identified that the exhaustion of the bearing capacity occurs due to the loss of the buckling resistance as a result of the lateral torsional buckling.

Theoretical and experimental analysis of the behaviour of a photovoltaic pumping system

Energy Technology Data Exchange (ETDEWEB)

Hamrouni, Nejib; Jraidi, Moncef; Cherif, Adnene [High Engineering Faculty of Tunis PB 37, Belvedere, Tunis (Tunisia)

2009-08-15

The aim of the paper is to present the influence of the solar radiation variation on the performances of a stand alone photovoltaic pumping system which consists of photovoltaic generator, dc-dc converter, dc-ac inverter, an immersed group motor-pump and a storage tank that serves a similar purpose to battery storage. Hence a theoretical analysis (modelling and control) of the system is needed. Attention has been paid to the command of the power converters using MPPT and variable V/f laws. The MPPT control allows the extraction of the maximal output power delivered by the PV generator. The inverter ensures the PWM control of the asynchronous motor and a sine wave form of output signals. From the obtained simulation results, we will show that the decrease of the solar radiation degrades performances (the global efficiency and the flow rate) of the PV pumping system. The analysis is validated by simulation and experimental results. (author)
Theoretical and experimental study of α-Sn deposited on CdTe(001)

International Nuclear Information System (INIS)

Gomez, J.A.; Guenzburger, D.; Ellis, D.E.; Hu, M.Y.; Baggio-Saitovitc, E.M.; Passamani, E.C.; Alp, E.E.

2003-01-01

Gray tin films enriched by over 95% 119 Sn and grown by molecular beam epitaxy on CdTe(001) wafers are characterized by inelastic nuclear resonance spectroscopy and investigated theoretically by embedded-cluster density-functional theory methods. Experimental tin phonon densities of states are obtained via analysis of resonant scattering of the 23.88-keV nuclear transition, making use of a high-resolution spectrometer at the Advanced Photon Source. Conventional Moessbauer spectroscopy is used in the scattering mode to determine hyperfine parameters of the α-Sn phase and, after thermal treatment, the β phase. Electronic structure in the vicinity of Sn-Cd and Sn-Te interfaces is calculated in order to determine local charge transfer and changes in hyperfine parameters for 119 Sn atoms in the interface region. Although, due to sample thickness, both experiments reveal properties essentially of the bulk, the calculations allow investigation of surface and interface regions at an atomic level, thus providing complementary information. Effects of interlayer relaxation are explored.
Experimental and theoretical study of microalgal competition in laboratory and natural ecosystems

Science.gov (United States)

Pisman, T. I.; Somova, L. A.

An important aspect of studying mixed cultures of microalgae is the artificial ecosystems containing algal culture as a regeneration link and a source of vegetable substances. The peculiarities of studying the stability of microalgae mixed cultures in the laboratory and natural environment have been considered in the work. The role of factors most essentially affecting the species structure of phytoplankton community (temperature factor, light intensity, pH environments, elements of mineral nutrition, algal metabolites, predation and fluctuation of environmental conditions) has been displayed. As a result of experimental and theoretical modelling of the microalgae Chlorella vulgaris and Scenedesmus quadricauda competition under limitation on nitrogen, the impossibility of their co-existence has been revealed. Under these conditions Chl. vulgaris turned out to be less competitive than Sc. quadricauda. The influence of the ratio of biogenic elements concentration in the environment, which should be recognized as an independent regulatory factor limiting growth of populations in the community and, thus affecting its structure, has been analyzed.
Recent theoretical and experimental evidence on the cold fusion of elementary particles

International Nuclear Information System (INIS)

Santilli, R.M.

1993-01-01

Recent experiments have shown the apparent existence of the cold fusion/chemical synthesis of protons and electrons into neutrons (plus neutrinos), much along Rutherford's original conception. These findings have received indirect, yet significant experimental confirmations in Bose-Einstein correlations, superconductivity and other fields to warrant additional studies. In this paper we present a quantitative theoretical study of the apparent tendency of all massive particles to form a bound state at small distances which is enhanced at low energy. The study is centrally dependent on the isominkowskian geometrization of the expected nonlocal interactions due to total mutual penetrations, and their causal description via the isopoincare symmetry. The cold fusion considered is then made possible by isorenormalizations of the 'intrinsic' characteristics of particles originating from the contact-nonhamiltonian character of the internal nonlocal effects. This latter feature illustrates the reasons why the cold fusion considered is simply beyond the descriptive capacities of relativistic quantum mechanics, but it is fully predicted by its isotopic covering. 23 refs
Theoretical and Field Experimental Investigation of an Arrayed Solar Thermoelectric Flat-Plate Generator

Science.gov (United States)

Rehman, Naveed ur; Siddiqui, Mubashir Ali

2018-05-01

This work theoretically and experimentally investigated the performance of an arrayed solar flat-plate thermoelectric generator (ASFTEG). An analytical model, based on energy balances, was established for determining load voltage, power output and overall efficiency of ASFTEGs. An array consists of TEG devices (or modules) connected electrically in series and operating in closed-circuit mode with a load. The model takes into account the distinct temperature difference across each module, which is a major feature of this model. Parasitic losses have also been included in the model for realistic results. With the given set of simulation parameters, an ASFTEG consisting of four commercially available Bi2Te3 modules had a predicted load voltage of 200 mV and generated 3546 μW of electric power output. Predictions from the model were in good agreement with field experimental outcomes from a prototype ASFTEG, which was developed for validation purposes. Later, the model was simulated to maximize the performance of the ASFTEG by adjusting the thermal and electrical design of the system. Optimum values of design parameters were evaluated and discussed in detail. Beyond the current limitations associated with improvements in thermoelectric materials, this study will eventually lead to the successful development of portable roof-top renewable TEGs.
High-resolution electron spectroscopy of the 1s23lnl' Be-like series in oxygen and neon. Test of theoretical data: I. Experimental method and theoretical background

International Nuclear Information System (INIS)

Bordenave-Montesquieu, A; Moretto-Capelle, P; Bordenave-Montesquieu, D

2003-01-01

A complete and accurate experimental test of theoretical spectroscopic data sets (state positions, lifetimes) available for the n = 3-5 terms of the 1s 2 3lnl' Rydberg series of oxygen and neon ions is presented in a series of two papers. This result was achieved by fitting our high resolution electron spectra with post-collisional lineshapes calculated with the help of these spectroscopic data. In this paper the method which has been developed for this fitting procedure is explained. In addition, as a first test, a comparison of all the available calculated spectroscopic data is presented and discussed. Strong deviations of transition energies and decay lifetimes are observed in many cases. Best data are selected in the following companion paper through a quantitative comparison with our experimental electron spectra
An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

Energy Technology Data Exchange (ETDEWEB)

Svelle, Stian

2004-07-01

The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the
Origin of electronic properties of PbGa2Se4 crystal: Experimental and theoretical investigations

International Nuclear Information System (INIS)

Babuka, T.; Kityk, I.V.; Parasyuk, O.V.; Myronchuk, G.; Khyzhun, O.Y.; Fedorchuk, A.O.; Makowska-Janusik, M.

2015-01-01

Graphical abstract: In the presented work the structural and electronic properties of the PbGa 2 Se 4 single crystal were investigated experimentally as well as theoretically. The XPS spectra, Urbach’s rule and steepness parameters of PbGa 2 Se 4 single crystal have been investigated for the first time. The quantum chemical calculations were also never performed before for the studied structure. The theoretically obtained data help to explain the properties of material. - Highlights: • Urbach’s rule and steepness parameters for PbGa 2 Se 4 crystals explored for the first time. • Non-reactivity of the PbGa 2 Se 4 surface was established by XPS. • DFT approach shows its efficiency to describe electronic properties of PbGa 2 Se 4 . • Electronic parameters are affected by existence of electron–phonon interaction. - Abstract: The PbGa 2 Se 4 crystal is a promising material for optoelectronic applications. It is caused by coexistence of the large polarized Pb cations and a huge contribution of anharmonic phonon subsystem caused by chalcogenide anions. In the present work the electronic and optical properties of the mentioned material were studied theoretically as well as experimentally by optical and X-ray photoelectron spectroscopy methods. The DFT approach has been used for the quantum chemical electronic properties calculations. Urbach rule and steepness parameters of the PbGa 2 Se 4 crystal have been evaluated for the first time. These parameters and Urbach energies increase with increasing temperature of the samples that is typical for the semiconducting materials. The XPS measurements of the investigated crystal reveal that all the spectral features are originated from core-level states of the constituent elements. Simultaneously these results also confirm non-reactivity of the PbGa 2 Se 4 surface. However, the titled single crystal possesses a number of intrinsic structural defects and vacancies thereby affecting its electronic properties. The
The laminar flow tube reactor as a quantitative tool for nucleation studies: Experimental results and theoretical analysis of homogeneous nucleation of dibutylphthalate

International Nuclear Information System (INIS)

Mikheev, Vladimir B.; Laulainen, Nels S.; Barlow, Stephan E.; Knott, Michael; Ford, Ian J.

2000-01-01

A laminar flow tube reactor was designed and constructed to provide an accurate, quantitative measurement of a nucleation rate as a function of supersaturation and temperature. Measurements of nucleation of a supersaturated vapor of dibutylphthalate have been made for the temperature range from -30.3 to +19.1 degree sign C. A thorough analysis of the possible sources of experimental uncertainties (such as defining the correct value of the initial vapor concentration, temperature boundary conditions on the reactor walls, accuracy of the calculations of the thermodynamic parameters of the nucleation zone, and particle concentration measurement) is given. Both isothermal and the isobaric nucleation rates were measured. The experimental data obtained were compared with the measurements of other experimental groups and with theoretical predictions made on the basis of the self-consistency correction nucleation theory. Theoretical analysis, based on the first and the second nucleation theorems, is also presented. The critical cluster size and the excess of internal energy of the critical cluster are obtained. (c) 2000 American Institute of Physics
[Theoretical modeling and experimental research on direct compaction characteristics of multi-component pharmaceutical powders based on the Kawakita equation].

Science.gov (United States)

Si, Guo-Ning; Chen, Lan; Li, Bao-Guo

2014-04-01

Base on the Kawakita powder compression equation, a general theoretical model for predicting the compression characteristics of multi-components pharmaceutical powders with different mass ratios was developed. The uniaxial flat-face compression tests of powder lactose, starch and microcrystalline cellulose were carried out, separately. Therefore, the Kawakita equation parameters of the powder materials were obtained. The uniaxial flat-face compression tests of the powder mixtures of lactose, starch, microcrystalline cellulose and sodium stearyl fumarate with five mass ratios were conducted, through which, the correlation between mixture density and loading pressure and the Kawakita equation curves were obtained. Finally, the theoretical prediction values were compared with experimental results. The analysis showed that the errors in predicting mixture densities were less than 5.0% and the errors of Kawakita vertical coordinate were within 4.6%, which indicated that the theoretical model could be used to predict the direct compaction characteristics of multi-component pharmaceutical powders.
Gibbs paradox of entropy of mixing experimental facts. Its rejection, and the theoretical consequences

International Nuclear Information System (INIS)

Lin, Shu-Kun

1996-01-01

Gibbs paradox statement of entropy of mixing has been regarded as the theoretical foundation of statistical mechanics, quantum theory and biophysics. However, all the relevant chemical experimental observations and logical analyses indicate that the Gibbs paradox statement is false. I prove that this statement is wrong: Gibbs paradox statement implies that entropy decreases with the increase in symmetry (as represented by a symmetry number σ; see any statistical mechanics textbook). From group theory any system has at least a symmetry number σ=1 which is the identity operation for a strictly asymmetric system. It follows that the entropy of a system is equal to, or less than, zero. However, from either von Neumann-Shannon entropy formula (S(w) =-Σ ω in p 1 ) or the Boltzmann entropy formula (S = in w) and the original definition, entropy is non-negative. Therefore, this statement is false. It should not be a surprise that for the first time, many outstanding problems such as the validity of Pauling's resonance theory, the explanation of second order phase transition phenomena, the biophysical problem of protein folding and the related hydrophobic effect, etc., can be solved. Empirical principles such as Pauli principle (and Hund's rule) and HSAB principle, etc., can also be given a theoretical explanation
A novel multi-stage direct contact membrane distillation module: Design, experimental and theoretical approaches

KAUST Repository

Lee, Jung Gil

2016-10-24

An economic desalination system with a small scale and footprint for remote areas, which have a limited and inadequate water supply, insufficient water treatment and low infrastructure, is strongly demanded in the desalination markets. Here, a direct contact membrane distillation (DCMD) process has the simplest configuration and potentially the highest permeate flux among all of the possible MD processes. This process can also be easily instituted in a multi-stage manner for enhanced compactness, productivity, versatility and cost-effectiveness. In this study, an innovative, multi-stage, DCMD module under countercurrent-flow configuration is first designed and then investigate both theoretically and experimentally to identify its feasibility and operability for desalination application. Model predictions and measured data for mean permeate flux are compared and shown to be in good agreement. The effect of the number of module stages on the mean permeate flux, performance ratio and daily water production of the MDCMD system has been theoretically identified at inlet feed and permeate flow rates of 1.5 l/min and inlet feed and permeate temperatures of 70 °C and 25 °C, respectively. The daily water production of a three-stage DCMD module with a membrane area of 0.01 m2 at each stage is found to be 21.5 kg.
An experimental and theoretical investigation of the liquefaction dynamics of a phase change material in a normal gravity environment

Science.gov (United States)

Bain, R. L.; Stermole, F. J.; Golden, J. O.

1972-01-01

Experimental and theoretical investigations were undertaken to determine the role of gravity-induced free convection upon the liquefaction dynamics of a cylindrical paraffin slab under normal gravity conditions. The experimental equipment consisted of a test cell, a fluid-loop heating system, and a multipoint recorder. The test chamber was annular in shape with an effective radius of 1.585 cm and a length of 5.08 cm. The heating chamber was a 1.906 cm diameter tube going through the center of the test chamber, and connected to the fluid loop heating system. All experimental runs were made with the longitudinal axis of the test cell in the vertical direction to insure that convection was not a function of the angular axis of the cell. Ten melting runs were made at various hot wall temperatures. Also, two pure conduction solidification runs were made to determine an experimental latent heat of fusion.
Steady state characteristics of a tilting pad journal bearing with controllable lubrication: Comparison between theoretical and experimental results

DEFF Research Database (Denmark)

Cerda Varela, Alejandro Javier; Nielsen, Bo Bjerregaard; Santos, Ilmar

2013-01-01

direction. The modification of the injection pressure enables to modify the bearing static and dynamic properties according to the operational needs. The results presented are obtained using a theoretical model, which considers all the effects that determine the bearing behavior (controllable......This paper is aimed at presenting results regarding the static and thermal behavior of a tilting-pad journal bearing operating under controllable regime. The bearing is rendered controllable by injecting high pressure oil into the clearance using holes drilled across the bearing pads in the radial...... elastothermohydrodynamic lubrication regime), as well as using a test rig designed and built to this effect. The comparison between experimental and theoretical results provides solid ground to determine the accuracy of the available model for the the prediction of the steady-state behavior of the tilting-pad bearing...
Experimental and theoretical investigations of soil-structure interaction effect at HDR-reactor-building

International Nuclear Information System (INIS)

Wassermann, K.

1983-01-01

Full-scale dynamic testing on intermediate and high levels was performed at the Heissdampfreaktor (HDR) in 1979. Various types of dynamic forces were applied and response of the reactor containment structure and internal components was measured. Precalculations of dynamic behaviour and response of the structure were made through different mathematical models for the structure and the underlying soil. Soil-Structure Interaction effects are investigated and different theoretical models are compared with experimental results. In each model, the soil is represented by springs attached to the structural model. Stiffnesses of springs are calculated by different finite-element idealizations and half-space approximations. Eigenfrequencies and damping values related to interaction effects (translation, rocking, torsion) are identified from test results. The comparisons of dynamic characteristic of the soil-structure system between precalculations and test results show good agreement in general. (orig.)
Theoretical and experimental studies on critical heat flux in subcooled boiling and vertical flow geometry; Badania teoretyczne i eksperymentalne kryzysu wrzenia w warunkach wrzenia przechlodzonego w przeplywie w kanale pionowym

Energy Technology Data Exchange (ETDEWEB)

Staron, E. [Institute of Atomic Energy, Otwock-Swierk (Poland)

1996-12-31

Critical Heat Flux is a very important subject of interest due to design, operation and safety analysis of nuclear power plants. Every new design of the core must be thoroughly checked. Experimental studies have been performed using freon as a working fluid. The possibility of transferring of results into water equivalents has been proved. The experimental study covers vertical flow, annular geometry over a wide range of pressure, mass flow and temperature at inlet of test section. Theoretical models of Critical Heat Flux have been presented but only those which cover DNB. Computer programs allowing for numerical calculations using theoretical models have been developed. A validation of the theoretical models has been performed in accordance with experimental results. (author). 83 refs, 32 figs, 4 tabs.
Theoretical and experimental studies on critical heat flux in subcooled boiling and vertical flow geometry; Badania teoretyczne i eksperymentalne kryzysu wrzenia w warunkach wrzenia przechlodzonego w przeplywie w kanale pionowym

Energy Technology Data Exchange (ETDEWEB)

Staron, E [Institute of Atomic Energy, Otwock-Swierk (Poland)

1997-12-31

Critical Heat Flux is a very important subject of interest due to design, operation and safety analysis of nuclear power plants. Every new design of the core must be thoroughly checked. Experimental studies have been performed using freon as a working fluid. The possibility of transferring of results into water equivalents has been proved. The experimental study covers vertical flow, annular geometry over a wide range of pressure, mass flow and temperature at inlet of test section. Theoretical models of Critical Heat Flux have been presented but only those which cover DNB. Computer programs allowing for numerical calculations using theoretical models have been developed. A validation of the theoretical models has been performed in accordance with experimental results. (author). 83 refs, 32 figs, 4 tabs.
Theoretical and Experimental Study on the Permittivity of CdTe in the Terahertz Band

Directory of Open Access Journals (Sweden)

Sun Wang

2018-02-01

Full Text Available The phonon dispersion spectrum, eigenvector, and lattice vibration frequency of cadmium telluride with a zinc blende structure have been investigated using the density functional theory, and the permittivity of cadmium telluride crystal is numerically calculated. The permittivity of the crystal is measured using the terahertz time-domain spectroscopy system. The experimental results are consistent with the theoretical calculations on the modified local density approximation, the general gradient approximation, and the modified general gradient approximation. Finally, the differences among the three approximate exchange correlation potentials indicate that in the terahertz region, the permittivity of cadmium telluride is dominantly contributed by the coupling between electron and phonon; however, the phonon frequencies of transverse wave and longitudinal wave were sensitive to electron density distribution.
Experimental and theoretical studies of the physical processes occurring in thin plane targets irradiated by intense X-ray pulses

International Nuclear Information System (INIS)

Bugrov, A. E.; Burdonskii, I. N.; Gavrilov, V. V.; Gol'tsov, A. Yu.; Grabovskii, E. V.; Efremov, V. P.; Zhuzhukalo, E. V.; Zurin, M. V.; Koval'skii, N. G.; Kondrashov, V. N.; Oleinik, G. M.; Potapenko, A. I.; Samokhin, A. A.; Smirnov, V. P.; Fortov, V. E.; Frolov, I. N.

2007-01-01

Results are presented from experimental and theoretical studies of the interaction of intense X-ray pulses with different types of plane targets, including low-density (∼10 mg/cm 3 ) ones, in the Angara-5-1 facility. It is found experimentally that a dense low-temperature plasma forms on the target surface before the arrival of the main heating X-ray pulse. It is demonstrated that the contrast of the X-ray pulse can be increased by placing a thin organic film between the target and the discharge gap. The expansion velocity of the plasma created on the target surface irradiated by Z-pinch-produced X rays was found to be (3-4) x 10 6 cm/s. A comparison between the simulation and experimental results confirms the validity of the physical-mathematical model used
A combined experimental and theoretical approach to establish the relationship between shear force and clay platelet delamination in melt-processed polypropylene nanocomposites

CSIR Research Space (South Africa)

Bandyopadhyay, J

2014-04-01

Full Text Available In this article, a combined experimental and theoretical approach has been proposed to establish a relationship between the required shear force and the degree of delamination of clay tactoids during the melt-processing of polymer nanocomposites...

Quantitative fluorescence lifetime spectroscopy in turbid media: comparison of theoretical, experimental and computational methods

International Nuclear Information System (INIS)

Vishwanath, Karthik; Mycek, Mary-Ann; Pogue, Brian

2002-01-01

A Monte Carlo model developed to simulate time-resolved fluorescence propagation in a semi-infinite turbid medium was validated against previously reported theoretical and computational results. Model simulations were compared to experimental measurements of fluorescence spectra and lifetimes on tissue-simulating phantoms for single and dual fibre-optic probe geometries. Experiments and simulations using a single probe revealed that scattering-induced artefacts appeared in fluorescence emission spectra, while fluorescence lifetimes were unchanged. Although fluorescence lifetime measurements are generally more robust to scattering artefacts than are measurements of fluorescence spectra, in the dual-probe geometry scattering-induced changes in apparent lifetime were predicted both from diffusion theory and via Monte Carlo simulation, as well as measured experimentally. In all cases, the recovered apparent lifetime increased with increasing scattering and increasing source-detector separation. Diffusion theory consistently underestimated the magnitude of these increases in apparent lifetime (predicting a maximum increase of ∼15%), while Monte Carlo simulations and experiment were closely matched (showing increases as large as 30%). These results indicate that quantitative simulations of time-resolved fluorescence propagation in turbid media will be important for accurate recovery of fluorophore lifetimes in biological spectroscopy and imaging applications. (author)
Superheavy Elements Challenge Experimental and Theoretical Chemistry

CERN Document Server

Zvára, I

2003-01-01

When reflecting on the story of superheavy elements, the an experimenter, acknowledges the role, which the predictions of nuclear and chemical theories have played in ongoing studies. Today, the problems of major interest for experimental chemistry are the studies of elements 112 and 114 including their chemical identification. Advanced quantum chemistry calculations of atoms and molecules would be of much help. First experiments with element 112 evidence that the metal is much more volatile and inert than mercury.
Gibbs energies of protonation and complexation of platinum and vanadate metal ions with naringenin and phenolic acids: Theoretical calculations associated with experimental values

International Nuclear Information System (INIS)

Fazary, Ahmed E.; Alshihri, Ayed S.; Alfaifi, Mohammad Y.; Saleh, Kamel A.; Elbehairi, Serag Eldin I.; Fawy, Khaled F.; Abd-Rabboh, Hisham S.M.

2016-01-01

Highlights: • The experimental thermodynamic equilibrium and stability constants of vanadium and platinum complexes involving naringin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined. • The theoretical calculations of the free energy changes associated with the ligand protonation, and metal ion–ligand complex formation equilibria using density function theory calculations, providing a complete picture of the microscopic equilibria of the studied complex systems. - Abstract: The Experimental thermodynamic equilibrium (pK_a values) and stability (log β) constants of vanadium and platinum binary and mixed ligand complexes involving naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined at 310.15 K in 0.16 mol·dm"−"3 KCl aqueous solutions using pH-potentiometric technique and by means of two estimation models (HYPERQUAD 2008 and Bjerrum–Calvin). The theoretical calculations of overall protonation and stability constants of the metal complex species in solution were predicted as the free energy change associated with the ligand protonation, and metal ion–ligand complex formation equilibria (species solvation/de-solvation) using ab initio and density function theory (DFT) calculations. The usage of the experimental potentiometry technique and theoretical predictions provides a complete picture of the microscopic equilibria of the studied systems (vanadium/platinum–naringenin–phenolic acid). Specifically, this theoretically DFT predications would be useful to determine the most real protonation constants of the studied bioligands in which the binding sites changes due to the ligand protonation/deprotonation equilibria. Also, the complexing capacities of vanadium and platinum towards naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid in solutions were evaluated and discussed. From the
Tesla coil theoretical model and experimental verification

OpenAIRE

Voitkans, Janis; Voitkans, Arnis

2014-01-01

Abstract – In this paper a theoretical model of a Tesla coil operation is proposed. Tesla coil is described as a long line with distributed parameters in a single-wired format, where the line voltage is measured against electrically neutral space. It is shown that equivalent two-wired scheme can be found for a single-wired scheme and already known long line theory can be applied to a Tesla coil. Formulas for calculation of voltage in a Tesla coil by coordinate and calculation of resonance fre...
Experimental and theoretical study on Raman spectra of magnesium fluoride clusters and solids.

Science.gov (United States)

Neelamraju, S; Bach, A; Schön, J C; Fischer, D; Jansen, M

2012-11-21

In this study, the Raman and IR spectra of a large number of isomers of MgF(2) clusters and of possible bulk polymorphs of MgF(2) are calculated and compared with experimental data observed using a low-temperature atom beam deposition. The bulk polymorphs were taken from earlier work, while the cluster modifications for the neutral (MgF(2))(n) (n = 1-10) clusters and charged clusters (up to the trimer anion and cation, (Mg(3)F(7))(-) and (Mg(3)F(5))(+), respectively) are determined in the present work by global energy landscape explorations using simulated annealing. These theoretical calculations are complemented by an experimental study on both the vapor phase and the deposited films of MgF(2), which are generated in a low-temperature atom beam deposition setup for the synthesis of MgF(2) bulk phases. The MgF(2) vapor and film are characterized via Raman spectroscopy of the MgF(2) gas phase species embedded in an Ar-matrix and of the MgF(2)-films deposited onto a cooled substrate, respectively. We find that, in the vapor phase, there are monomers and dimers and charged species to be present in our experimental setup. Furthermore, the results suggest that in the amorphous bulk MgF(2), rutile-like domains are present and MgF(2) clusters similar to those in the matrix. Finally, peaks at about 800 cm(-1), which are in the same range as the A(g) modes of clusters with dangling fluorine atoms connected to three-coordinated Mg atoms, indicate that such dangling bonds are also present in amorphous MgF(2).
Experimental and Theoretical Investigation of Impinging Jet Ventilation at Different Cross Sectional Area of Supply Air Duct

Directory of Open Access Journals (Sweden)

Ala'a Abbas Mahdi

2018-03-01

Full Text Available An experimental and computational analysis of temperature and velocity distribution in an office room have been studied. Office room of dimensions (3m x 1.75m x 3m with two cross sectional types of supply air duct in the experimental part and three different cross sectional types of supply air duct in the theoretical part is usual as a tested model. The RNG k- turbulence model was employed to solve the governing equations numerically and validated by comparing the numerical results with experimental data. The impinging jet concept has been proposed as a new ventilation strategy for use in office and industrial buildings. The present work focuses on evaluating the performance of a new impinging jet ventilation. In a theoretical study three types of supply air duct are adopted which are square supply air duct (Type-I, semi-elliptic supply air duct (Type-II and rectangle supply air duct (Type-III for two cases of air outlet terminal height from room foot level, 0.14h (case-I & 0.1h (case-II. The third type (rectangle duct gives lowest effective and discomfort conditions when compared with the other two types. This study investigated a number of factors influencing draught discomfort and temperature stratification in an office environment equipped with impinging jet ventilation IJV. The factors considered to be: shape of the air supply device, supply airflow rate and supply air temperature. Acceptable Air Distribution Performance Index (ADPI, effective temperature, and ventilation efficiency obtained that the square cross sectional area of supply air duct at 0.1h (case-II height from foot level gives more acceptable indoor air quality and human thermal comfort when compared with the other types. Also, this type gives good air distribution system not only promotes a comfortable and healthy environment for occupants, but also contributes to energy conservation.
Degradable self-assembling dendrons for gene delivery: experimental and theoretical insights into the barriers to cellular uptake.

Science.gov (United States)

Barnard, Anna; Posocco, Paola; Pricl, Sabrina; Calderon, Marcelo; Haag, Rainer; Hwang, Mark E; Shum, Victor W T; Pack, Daniel W; Smith, David K

2011-12-21

This paper uses a combined experimental and theoretical approach to gain unique insight into gene delivery. We report the synthesis and investigation of a new family of second-generation dendrons with four triamine surface ligands capable of binding to DNA, degradable aliphatic-ester dendritic scaffolds, and hydrophobic units at their focal points. Dendron self-assembly significantly enhances DNA binding as monitored by a range of experimental methods and confirmed by multiscale modeling. Cellular uptake studies indicate that some of these dendrons are highly effective at transporting DNA into cells (ca. 10 times better than poly(ethyleneimine), PEI). However, levels of transgene expression are relatively low (ca. 10% of PEI). This indicates that these dendrons cannot navigate all of the intracellular barriers to gene delivery. The addition of chloroquine indicates that endosomal escape is not the limiting factor in this case, and it is shown, both experimentally and theoretically, that gene delivery can be correlated with the ability of the dendron assemblies to release DNA. Mass spectrometric assays demonstrate that the dendrons, as intended, do degrade under biologically relevant conditions over a period of hours. Multiscale modeling of degraded dendron structures suggests that complete dendron degradation would be required for DNA release. Importantly, in the presence of the lower pH associated with endosomes, or when bound to DNA, complete degradation of these dendrons becomes ineffective on the transfection time scale-we propose this explains the poor transfection performance of these dendrons. As such, this paper demonstrates that taking this kind of multidisciplinary approach can yield a fundamental insight into the way in which dendrons can navigate barriers to cellular uptake. Lessons learned from this work will inform future dendron design for enhanced gene delivery. © 2011 American Chemical Society
Experimental techniques and theoretical models for the study of integral 14 MeV neutron cross sections

International Nuclear Information System (INIS)

Csikai, J.

1981-01-01

Owing to technical reasons, most of the data for fast neutron-induced reactions were measured at 14 MeV and the free parameters in nuclear reaction models have been determined at this energy. The discrepancies between experiment and theory are often due to the unmeasured or unreliable experimental data; therefore, it is important to survey the present techniques used for the measurement of total, elastic, nonelastic and partial nonelastic [(n,xn); (n,x charged); (n,f); (n,γ)] cross sections for 14 MeV neutrons. Systematics in the data as well as theoretical and semi-empirical models are also outlined. (author)
Theoretical and experimental investigations on synchronization in many-junction arrays of HTSC Josephson junctions. Final report

International Nuclear Information System (INIS)

Seidel, P.; Heinz, E.; Pfuch, A.; Machalett, F.; Krech, W.; Basler, M.

1996-06-01

Different many-junction arrays of Josephson junctions were studied theoretically to analyse the mechanisms of synchronization, the influence of internal and external parameters and the maximal allowed spread of parameters for the single junctions. Concepts to realize arrays using standard high-T c superconductor technology were created, e.g. the new arrangement of multijunction superconducting loops (MSL). First experimental results show the relevance of this concept. Intrinsic one-dimensional arrays in thin film technology were prepared as mesas out of Bi or Tl 2212 films. to characterize HTSC Josephson junctions methods based on the analysis of microwave-induced steps were developed. (orig.) [de
Theoretical prediction of experimental jump and pull-in dynamics in a MEMS sensor

KAUST Repository

Ruzziconi, Laura; Lenci, Stefano; Ramini, Abdallah; Younis, Mohammad I.

2014-01-01

The present research study deals with an electrically actuated MEMS device. An experimental investigation is performed, via frequency sweeps in a neighbourhood of the first natural frequency. Resonant behavior is explored, with special attention devoted to jump and pull-in dynamics. A theoretical single degree-of-freedom spring-mass model is derived. Classical numerical simulations are observed to properly predict the main nonlinear features. Nevertheless, some discrepancies arise, which are particularly visible in the resonant branch. They mainly concern the practical range of existence of each attractor and the final outcome after its disappearance. These differences are likely due to disturbances, which are unavoidable in practice, but have not been included in the model. To take disturbances into account, in addition to the classical local investigations, we consider the global dynamics and explore the robustness of the obtained results by performing a dynamical integrity analysis. Our aim is that of developing an applicable confident estimate of the system response. Integrity profiles and integrity charts are built to detect the parameter range where reliability is practically strong and where it becomes weak. Integrity curves exactly follow the experimental data. They inform about the practical range of actuality. We discuss the combined use of integrity charts in the engineering design. Although we refer to a particular case-study, the approach is very general.
Theoretical prediction of experimental jump and pull-in dynamics in a MEMS sensor

KAUST Repository

Ruzziconi, Laura

2014-09-15

The present research study deals with an electrically actuated MEMS device. An experimental investigation is performed, via frequency sweeps in a neighbourhood of the first natural frequency. Resonant behavior is explored, with special attention devoted to jump and pull-in dynamics. A theoretical single degree-of-freedom spring-mass model is derived. Classical numerical simulations are observed to properly predict the main nonlinear features. Nevertheless, some discrepancies arise, which are particularly visible in the resonant branch. They mainly concern the practical range of existence of each attractor and the final outcome after its disappearance. These differences are likely due to disturbances, which are unavoidable in practice, but have not been included in the model. To take disturbances into account, in addition to the classical local investigations, we consider the global dynamics and explore the robustness of the obtained results by performing a dynamical integrity analysis. Our aim is that of developing an applicable confident estimate of the system response. Integrity profiles and integrity charts are built to detect the parameter range where reliability is practically strong and where it becomes weak. Integrity curves exactly follow the experimental data. They inform about the practical range of actuality. We discuss the combined use of integrity charts in the engineering design. Although we refer to a particular case-study, the approach is very general.
Theoretical modeling, simulation and experimental study of hybrid piezoelectric and electromagnetic energy harvester

Directory of Open Access Journals (Sweden)

Ping Li

2018-03-01

Full Text Available In this paper, performances of vibration energy harvester combined piezoelectric (PE and electromagnetic (EM mechanism are studied by theoretical analysis, simulation and experimental test. For the designed harvester, electromechanical coupling modeling is established, and expressions of vibration response, output voltage, current and power are derived. Then, performances of the harvester are simulated and tested; moreover, the power charging rechargeable battery is realized through designed energy storage circuit. By the results, it’s found that compared with piezoelectric-only and electromagnetic-only energy harvester, the hybrid energy harvester can enhance the output power and harvesting efficiency; furthermore, at the harmonic excitation, output power of harvester linearly increases with acceleration amplitude increasing; while it enhances with acceleration spectral density increasing at the random excitation. In addition, the bigger coupling strength, the bigger output power is, and there is the optimal load resistance to make the harvester output the maximal power.
Inhomogeneities in high energy photon beams used in radiotherapy. Experimental and theoretical studies

International Nuclear Information System (INIS)

Kappas, K.

1986-01-01

This work is dedicated to the influence of the human body inhomogeneities on the dose distribution for high energy photons beams used in Radiotherapy. It consists in an experimental part and a theoretical analysis leading to original models of calculation. We study essentially, - the beam quality of the machines used and its influence on some basic dosimetric quantities and on the response of an ionization chamber. - The dose perturbation due to off-axis heterogeneous volumes at off-axis points of measurement; a model is suggested to take into account the perturbation of the multiple scatter. The perturbation of the dose in the transition region, between water equivalent medium and heterogeneous medium (air) is also investigated. The last part is devoted to computer applications of the proposed correction methods and to a comparison between the different computerized treatment planning systems which take into account of inhomogeneities [fr
Is the rotation of the femural head a potential initiation for cutting out? A theoretical and experimental approach

LENUS (Irish Health Repository)

Lenich, Andreas

2011-04-22

Abstract Background Since cut-out still remains one of the major clinical challenges in the field of osteoporotic proximal femur fractures, remarkable developments have been made in improving treatment concepts. However, the mechanics of these complications have not been fully understood. We hypothesize using the experimental data and a theoretical model that a previous rotation of the femoral head due to de-central implant positioning can initiate a cut-out. Methods In this investigation we analysed our experimental data using two common screws (DHS\\/Gamma 3) and helical blades (PFN A\\/TFN) for the fixation of femur fractures in a simple theoretical model applying typical gait pattern on de-central positioned implants. In previous tests during a forced implant rotation by a biomechanical testing machine in a human femoral head the two screws showed failure symptoms (2-6Nm) at the same magnitude as torques acting in the hip during daily activities with de-central implant positioning, while the helical blades showed a better stability (10-20Nm). To calculate the torque of the head around the implant only the force and the leverarm is needed (N [Nm] = F [N] * × [m]). The force F is a product of the mass M [kg] multiplied by the acceleration g [m\\/s2]. The leverarm is the distance between the center of the head of femur and the implant center on a horizontal line. Results Using 50% of 75 kg body weight a torque of 0.37Nm for the 1 mm decentralized position and 1.1Nm for the 3 mm decentralized position of the implant was calculated. At 250% BW, appropriate to a normal step, torques of 1.8Nm (1 mm) and 5.5Nm (3 mm) have been calculated. Comparing of the experimental and theoretical results shows that both screws fail in the same magnitude as torques occur in a more than 3 mm de-central positioned implant. Conclusion We conclude the center-center position in the head of femur of any kind of lag screw or blade is to be achieved to minimize rotation of the femoral head
Is the rotation of the femoral head a potential initiation for cutting out? A theoretical and experimental approach.

Science.gov (United States)

Lenich, Andreas; Bachmeier, Samuel; Prantl, Lukas; Nerlich, Michael; Hammer, Jochen; Mayr, Edgar; Al-Munajjed, Amir Andreas; Füchtmeier, Bernd

2011-04-22

Since cut-out still remains one of the major clinical challenges in the field of osteoporotic proximal femur fractures, remarkable developments have been made in improving treatment concepts. However, the mechanics of these complications have not been fully understood.We hypothesize using the experimental data and a theoretical model that a previous rotation of the femoral head due to de-central implant positioning can initiate a cut-out. In this investigation we analysed our experimental data using two common screws (DHS/Gamma 3) and helical blades (PFN A/TFN) for the fixation of femur fractures in a simple theoretical model applying typical gait pattern on de-central positioned implants. In previous tests during a forced implant rotation by a biomechanical testing machine in a human femoral head the two screws showed failure symptoms (2-6Nm) at the same magnitude as torques acting in the hip during daily activities with de-central implant positioning, while the helical blades showed a better stability (10-20Nm).To calculate the torque of the head around the implant only the force and the leverarm is needed (N [Nm] = F [N] * × [m]). The force F is a product of the mass M [kg] multiplied by the acceleration g [m/s2]. The leverarm is the distance between the center of the head of femur and the implant center on a horizontal line. Using 50% of 75 kg body weight a torque of 0.37Nm for the 1 mm decentralized position and 1.1Nm for the 3 mm decentralized position of the implant was calculated. At 250% BW, appropriate to a normal step, torques of 1.8Nm (1 mm) and 5.5Nm (3 mm) have been calculated.Comparing of the experimental and theoretical results shows that both screws fail in the same magnitude as torques occur in a more than 3 mm de-central positioned implant. We conclude the center-center position in the head of femur of any kind of lag screw or blade is to be achieved to minimize rotation of the femoral head and to prevent further mechanical complications.
Mechanisms of Enzyme-Catalyzed Reduction of Two Carcinogenic Nitro-Aromatics, 3-Nitrobenzanthrone and Aristolochic Acid I: Experimental and Theoretical Approaches

Directory of Open Access Journals (Sweden)

Marie Stiborová

2014-06-01

Full Text Available This review summarizes the results found in studies investigating the enzymatic activation of two genotoxic nitro-aromatics, an environmental pollutant and carcinogen 3-nitrobenzanthrone (3-NBA and a natural plant nephrotoxin and carcinogen aristolochic acid I (AAI, to reactive species forming covalent DNA adducts. Experimental and theoretical approaches determined the reasons why human NAD(PH:quinone oxidoreductase (NQO1 and cytochromes P450 (CYP 1A1 and 1A2 have the potential to reductively activate both nitro-aromatics. The results also contributed to the elucidation of the molecular mechanisms of these reactions. The contribution of conjugation enzymes such as N,O-acetyltransferases (NATs and sulfotransferases (SULTs to the activation of 3-NBA and AAI was also examined. The results indicated differences in the abilities of 3-NBA and AAI metabolites to be further activated by these conjugation enzymes. The formation of DNA adducts generated by both carcinogens during their reductive activation by the NOQ1 and CYP1A1/2 enzymes was investigated with pure enzymes, enzymes present in subcellular cytosolic and microsomal fractions, selective inhibitors, and animal models (including knock-out and humanized animals. For the theoretical approaches, flexible in silico docking methods as well as ab initio calculations were employed. The results summarized in this review demonstrate that a combination of experimental and theoretical approaches is a useful tool to study the enzyme-mediated reaction mechanisms of 3-NBA and AAI reduction.
Mechanisms of Enzyme-Catalyzed Reduction of Two Carcinogenic Nitro-Aromatics, 3-Nitrobenzanthrone and Aristolochic Acid I: Experimental and Theoretical Approaches

Science.gov (United States)

Stiborová, Marie; Frei, Eva; Schmeiser, Heinz H.; Arlt, Volker M.; Martínek, Václav

2014-01-01

This review summarizes the results found in studies investigating the enzymatic activation of two genotoxic nitro-aromatics, an environmental pollutant and carcinogen 3-nitrobenzanthrone (3-NBA) and a natural plant nephrotoxin and carcinogen aristolochic acid I (AAI), to reactive species forming covalent DNA adducts. Experimental and theoretical approaches determined the reasons why human NAD(P)H:quinone oxidoreductase (NQO1) and cytochromes P450 (CYP) 1A1 and 1A2 have the potential to reductively activate both nitro-aromatics. The results also contributed to the elucidation of the molecular mechanisms of these reactions. The contribution of conjugation enzymes such as N,O-acetyltransferases (NATs) and sulfotransferases (SULTs) to the activation of 3-NBA and AAI was also examined. The results indicated differences in the abilities of 3-NBA and AAI metabolites to be further activated by these conjugation enzymes. The formation of DNA adducts generated by both carcinogens during their reductive activation by the NOQ1 and CYP1A1/2 enzymes was investigated with pure enzymes, enzymes present in subcellular cytosolic and microsomal fractions, selective inhibitors, and animal models (including knock-out and humanized animals). For the theoretical approaches, flexible in silico docking methods as well as ab initio calculations were employed. The results summarized in this review demonstrate that a combination of experimental and theoretical approaches is a useful tool to study the enzyme-mediated reaction mechanisms of 3-NBA and AAI reduction. PMID:24918288
Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride

International Nuclear Information System (INIS)

Kawerk, Elie; Carniato, Stéphane; Iwayama, Hiroshi; Shigemasa, Eiji; Piancastelli, Maria Novella; Wassaf, Joseph; Khoury, Antonio; Simon, Marc

2013-01-01

Highlights: ► We measured the X-ray absorption spectrum of C 2 H 3 Cl around the chlorine L edge. ► Ab-initio calculations of the spectrum shed light on eventual electronic resonances. ► Vibrational substructures for particular core excited states are considered. ► The potential energy surfaces of the core excited electronic states are evaluated. ► Sharp or narrow spectral bands are associated to bound or dissociative surfaces. -- Abstract: We present a combined experimental and theoretical study of the high-resolution chlorine L edge X-ray absorption spectrum in gas-phase vinyl chloride (C 2 H 3 Cl). With the help of ab-initio calculations, we interpret the experimental spectrum and attribute each band to its corresponding electronic transitions terminating at states characterized by an either binding or dissociative potential energy surface (PES). Vibrational substructures in some specific core-excited electronic states are taken into account
Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride

Energy Technology Data Exchange (ETDEWEB)

Kawerk, Elie, E-mail: elie.kawerk@etu.upmc.fr [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Université Libanaise, Faculté des Sciences II Fanar, Laboratoire de Physique Appliquée, 90656 Jdeidet el Metn (Lebanon); Carniato, Stéphane [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Iwayama, Hiroshi; Shigemasa, Eiji [Ultraviolet Synchrotron Orbital Radiation Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Piancastelli, Maria Novella [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Wassaf, Joseph; Khoury, Antonio [Université Libanaise, Faculté des Sciences II Fanar, Laboratoire de Physique Appliquée, 90656 Jdeidet el Metn (Lebanon); Simon, Marc [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)

2013-02-15

Highlights: ► We measured the X-ray absorption spectrum of C{sub 2}H{sub 3}Cl around the chlorine L edge. ► Ab-initio calculations of the spectrum shed light on eventual electronic resonances. ► Vibrational substructures for particular core excited states are considered. ► The potential energy surfaces of the core excited electronic states are evaluated. ► Sharp or narrow spectral bands are associated to bound or dissociative surfaces. -- Abstract: We present a combined experimental and theoretical study of the high-resolution chlorine L edge X-ray absorption spectrum in gas-phase vinyl chloride (C{sub 2}H{sub 3}Cl). With the help of ab-initio calculations, we interpret the experimental spectrum and attribute each band to its corresponding electronic transitions terminating at states characterized by an either binding or dissociative potential energy surface (PES). Vibrational substructures in some specific core-excited electronic states are taken into account.
Experimental and theoretical study of CO adsorption on the surface of single phase hexagonally plate ZnO

Energy Technology Data Exchange (ETDEWEB)

Akbari, Amin; Firooz, Azam Anaraki [Chemistry Department, Faculty of Sciences, Shahid Rajaee Teacher Training University, PO Box 16785-163, Tehran (Iran, Islamic Republic of); Beheshtian, Javad, E-mail: j.beheshtian@srttu.edu [Chemistry Department, Faculty of Sciences, Shahid Rajaee Teacher Training University, PO Box 16785-163, Tehran (Iran, Islamic Republic of); Khodadadi, Abbas Ali [Oil and Gas Processing Center of Excellence, School of Chemical Engineering, University of Tehran, 11155-4563 Tehran (Iran, Islamic Republic of)

2014-10-01

Highlights: • Hexagonally plate ZnO microstructure was synthesized by a simple hydrothermal method. • HRTEM images indicated a single crystal with a [0 0 1] direction growth. • DFT calculations were performed to reveal structure and electronic properties of ZnO. • The CO sensor response was close to obtained theoretical results. - Abstract: A simple low temperature hydrothermal method has been investigated for synthesis of single phase hexagonally plate ZnO microstructure. The synthesized ZnO was characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) photoluminescence spectrum (PL) and ultraviolet and visible absorption spectroscopy (UV–vis) to investigate the surface morphology, crystallographic phase, optical properties and used as a sensor for detection of CO gas molecules. It was observed that the ZnO microstructures were uniform size, single phase and symmetrical, with a hexagonal shape and height of ∼250 nm. The optical band gap value of this sample was calculated to be about 3.22 eV, which show a red shift with theoretical method. High-resolution TEM images indicate that all the microstructures are single crystals with a [0 0 1] direction growth. We studied the gas response of this sample to 500 ppm CO over a temperature range of 200–400 °C and compared with theoretical results. Density functional theory (DFT) calculations were employed to investigate the structure and electronic properties of ZnO with simulating the adsorption process of CO gas on the ZnO (1 0 1) surface. The theoretical results were in good agreement with experimental results.

A novel multi-stage direct contact membrane distillation module: Design, experimental and theoretical approaches.

Science.gov (United States)

Lee, Jung-Gil; Kim, Woo-Seung; Choi, June-Seok; Ghaffour, Noreddine; Kim, Young-Deuk

2016-12-15

An economic desalination system with a small scale and footprint for remote areas, which have a limited and inadequate water supply, insufficient water treatment and low infrastructure, is strongly demanded in the desalination markets. Here, a direct contact membrane distillation (DCMD) process has the simplest configuration and potentially the highest permeate flux among all of the possible MD processes. This process can also be easily instituted in a multi-stage manner for enhanced compactness, productivity, versatility and cost-effectiveness. In this study, an innovative, multi-stage, DCMD module under countercurrent-flow configuration is first designed and then investigate both theoretically and experimentally to identify its feasibility and operability for desalination application. Model predictions and measured data for mean permeate flux are compared and shown to be in good agreement. The effect of the number of module stages on the mean permeate flux, performance ratio and daily water production of the MDCMD system has been theoretically identified at inlet feed and permeate flow rates of 1.5 l/min and inlet feed and permeate temperatures of 70 °C and 25 °C, respectively. The daily water production of a three-stage DCMD module with a membrane area of 0.01 m 2 at each stage is found to be 21.5 kg. Copyright © 2016 Elsevier Ltd. All rights reserved.
Inhibition of mild steel corrosion in acid solution by Pheniramine drug: Experimental and theoretical study

International Nuclear Information System (INIS)

Ahamad, Ishtiaque; Prasad, Rajendra; Quraishi, M.A.

2010-01-01

Inhibition of mild steel corrosion in 1 M HCl solution by Pheniramine drug was studied using weight loss, electrochemical impedance spectroscopy, linear polarization resistance, and potentiodynamic polarization measurements. The values of activation energy (E a ) and different thermodynamic parameters such as adsorption equilibrium constant (K ads ), free energy of adsorption (ΔG ads o ), adsorption enthalpy (ΔH ads o ) and adsorption entropy (ΔS ads o ) were calculated and discussed. The adsorption process of studied drug on mild steel surface obeys the Langmuir adsorption isotherm. Potentiodynamic polarization measurements showed that Pheniramine is mixed-type inhibitor. Further, theoretical calculations were carried out and relations between computed parameters and experimental inhibition efficiency were discussed.
Sibutramine characterization and solubility, a theoretical study

Science.gov (United States)

Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René

2013-04-01

Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.
Theoretical and Experimental Studies of Functionalized Carbon Nanotubes for Improved Thermal Conductivity

Science.gov (United States)

Kerr, Alexander; Burt, Timothy; Mullen, Kieran; Glatzhofer, Daniel; Houck, Matthew; Huang, Paul

The use of carbon nanotubes (CNTs) to improve the thermal conductivity of composite materials is thwarted by their large thermal boundary resistance. We study how to overcome this Kapitza resistance by functionalizing CNTs with mixed molecular chains. Certain configurations of chains improve the transmission of thermal vibrations through our systems by decreasing phonon mismatch between the CNTs and their surrounding matrix. Through the calculation of vibrational normal modes and Green's functions, we develop a variety of computational metrics to compare the thermal conductivity (κ) of our systems. We show how different configurations of attached chains affect the samples' κ values by varying chain identity, chain length, number of chains, and heat driver behavior. We vary the parameters to maximize κ. To validate and optimize these metrics, we perform molecular dynamics simulations for comparison. We also present experimental results of composites enhanced with CNTs and make comparisons to the theory. We observe that some composites are thermally improved with the inclusion of CNTs, while others are scarcely changed, in agreement with theoretical models. This work was supported by NSF Grant DMR-1310407.
An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

Energy Technology Data Exchange (ETDEWEB)

Svelle, Stian

2004-07-01

The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the
Experimental and theoretical studies on a novel helical architecture ...

Indian Academy of Sciences (India)

aKey Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory ... bInstitute for Computation in Molecular and Material Science, School of Chemical Engineering, Nanjing ... mental and theoretical points of view is still largely.
Experimental and theoretical studies of the effects of nonuniformities in equilibrium MHD generators

International Nuclear Information System (INIS)

Rosenbaum, M.; Shamma, S.E.; Louis, J.F.

1980-01-01

An experimental study of the effects of thermal and velocity nonuniformities is performed in an equilibrium plasma for a range of Hall parameters. An electrodeless MHD disk generator with radial flow is chosen as the ideal geometry for these experiments. By introducing equally spaced cold blades in the flow, it is possible to create well defined two-dimensional wake nonuniformities with strong variations of the plasma properties in the direction normal to the magnetic field and the flow. This type of nonuniformity is predicted to provide the strongest reduction of Hall coefficient and effective conductivity for high values of Hall parameter. This degradation is controlled by both the level of nonuniformities and the value of the ideal Hall parameter. The former is dependent upon the number of blades (root mean square deviation of the conductivity), and the latter is dependent upon the values of the magnetic field intensities. The results provide basic quantitative information about the effects of conductivity and velocity nonuniformities on the performance of equilibrium MHD generators over a wide range of Hall coefficients, between 2 and 7. Reduction formulae are established between the effective and ideal Hall parameters for different levels of nonuniformities intensities. Theoretical predictions are derived from a detailed two-dimensional electrodynamic analysis and a simplified engineering model based on a generalization of Rosa's layer model. These experiments validate the analytical studies and support the use of the theoretical layer models in describing the effect of boundary layers on the performance of linear generators
Theoretical and experimental study of fenofibrate and simvastatin

Science.gov (United States)

Nicolás Vázquez, Inés; Rodríguez-Núñez, Jesús Rubén; Peña-Caballero, Vicente; Ruvalcaba, Rene Miranda; Aceves-Hernandez, Juan Manuel

2017-12-01

Fenofibrate, an oral fibrate lipid lowering agent, and simvastatin, which reduces plasma levels of low-density lipoprotein cholesterol, are active pharmaceutical ingredients (APIs), currently in the market. We characterized these APIs by thermal analysis and conducted X-ray powder diffraction techniques. Studies should be carried out in the formulation stage before the final composition of a polypill may be established. Thus, it was found in thermochemical studies that both compounds present no chemical interactions in an equimolar mixture of solid samples at room temperature. Theoretical studies were employed to determine possible interactions between fenofibrate and simvastatin. A very weak intramolecular hydrogen bond is formed between the hydroxyl group (O5H5) of the simvastatin with chlorine and carbonyl group (C11O4, C1O2) of the fenofibrate molecule. These weak energy hydrogen bonds have no effect on the chemical stability of the compounds studied. The results were obtained using Density Functional Theory methods; particularly the BPE1BPE and B3LYP functional and 6-31++G** basis set. The values of energy show good approximation when are compared with similar calculations previously reported. Infrared spectra of monomers and dimers were obtained via theoretical calculations.
Theoretical modelling and experimental study of air thermal conditioning process of a heat pump assisted solid desiccant cooling system

DEFF Research Database (Denmark)

Nie, Jinzhe; Li, Zan; Hu, Wenju

2017-01-01

purification aimed at improving indoor air quality and reducing building energy consumption. The heat and moisture transfer in adsorption desiccant rotor was theoretical modelled with one-dimensional partial differential equations. The theoretical model was validated with experimental measurements...... system, the energy performance of HP-SDC was more efficient mainly due to high efficient air purification capacity, reduction of cooling load and raised evaporation temperature. The energy performance of HP-SDC was sensitive to outdoor humidity ratio. Further improvements of HP-SDC energy efficiency......Taking the integrated gaseous contaminants and moisture adsorption potential of desiccant material, a new heat pump assisted solid desiccant cooling system (HP-SDC) was proposed based on the combination of desiccant rotor with heat pump. The HP-SDC was designed for dehumidification, cooling and air...
Science Academies' Refresher Course on Theoretical Structural ...

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 22; Issue 8. Science Academies' Refresher Course on Theoretical Structural Geology, Crystallography, Mineralogy, Thermodynamics, Experimental Petrology and Theoretical Geophysics. Information and Announcements Volume 22 Issue 8 August 2017 ...
Theoretical and experimental determination of dosimetric characteristics for brachyseedTM Pd-103, model Pd-1, source

International Nuclear Information System (INIS)

Meigooni, A.S.; Zhang Hualin; Perry, Candace; Dini, S.A.; Koona, R.A.

2003-01-01

Dosimetric characteristics of the BrachySeed TM Pd-103, Model Pd-1 source have been determined using both theoretical and experimental methods. Dose rate constant, radial dose function, and anisotropy functions of the source have been obtained following the TG-43 recommendations. Derivation of the dose rate constant was based on recent NIST WAFAC calibration performed in accordance with their 1999 Standard. Measurements were performed in Solid Water TM using LiF TLD chips. Theoretical simulation calculations were performed in both Solid Water TM and water phantom materials using MCNP4C2 Monte Carlo code using DLC-200 interaction data. The results of the Monte Carlo simulation indicated a dose rate constant of 0.65 cGy h -1 U -1 and 0.61 cGy h -1 U -1 in water and Solid Water TM , respectively. The measured dose rate constant in Solid Water TM was found to be 0.63±7% cGy h -1 U -1 , which is within the experimental uncertainty of the Monte-Carlo simulated results. The anisotropy functions of the source were calculated in both water and in Solid Water TM at the radial distances of 1 to 7 cm. Measurements were made in Solid Water TM at distances of 2, 3, 5, and 7 cm. The Monte-Carlo calculated anisotropy constant of the new source was found to be 0.98 in water. The tabulated data and 5th order polynomial fit coefficients for the radial dose function along with the dose rate constant and anisotropy functions are provided to support clinical use of this source
Theoretical and experimental studies on transient heat transfer for forced convection flow of helium gas over a horizontal cylinder

International Nuclear Information System (INIS)

Liu Qiusheng; Katsuya Fukuda; Zhang Zheng

2005-01-01

Forced convection transient heat transfer for helium gas at various periods of exponential increase of heat input to a horizontal cylinder (heater) was theoretically and experimentally studied. In the theoretical study, transient heat transfer was numerically solved based on a turbulent flow model. It was clarified that the surface superheat and heat flux increase exponentially as the heat generation rate increases with the exponential function. The temperature distribution near the cylinder becomes larger as the surface temperature increases. The values of numerical solution for surface temperature and heat flux agree well with the experimental data for the cylinder diameter of 1 mm. However, the heat flux shows difference from the experimental values for the cylinder diameters of 0.7 mm and 2.0 mm. In the experimental studies, the authors measured heat flux, surface temperature, and transient heat transfer coefficients for forced convection flow of helium gas over horizontal cylinders under wide experimental conditions. The platinum cylinders with diameters of 1.0 mm, 0.7 mm, and 2.0 mm were used as test heaters and heated by electric current with an exponential increase of Q 0exp (t/τ) . The gas flow velocities ranged from 2 to 10 m/s, the gas temperatures ranged from 303 to 353 K, and the periods ranged from 50 ms to 20 s. It was clarified that the heat transfer coefficient approaches the quasi-steady-state one for the period τ longer than about 1 s, and it becomes higher for the period shorter than around 1 s. The transient heat transfer shows less dependence on the gas flowing velocity when the period becomes very shorter. The heat transfer shifts to the quasi-steady-state heat transfer for longer periods and shifts to the transient heat transfer for shorter periods at the same flow velocity. It also approaches the quasi-steady-state one for higher flow velocity at the same period. The transient heat transfer coefficients show significant dependence on
An Experimental and Theoretical Study on Cavitating Propellers.

Science.gov (United States)

1982-10-01

34 And Identfyp eV &to" nMeeJ cascade flow theoretical supercavitating flow performance prediction method partially cavitating flow supercavitating ...the present work was to develop an analytical tool for predicting the off-design performance of supercavitating propellers over a wide range of...operating conditions. Due to the complex nature of the flow phenomena, a lifting line theory sirply combined with the two-dimensional supercavitating
Understanding small biomolecule-biomaterial interactions: a review of fundamental theoretical and experimental approaches for biomolecule interactions with inorganic surfaces.

Science.gov (United States)

Costa, Dominique; Garrain, Pierre-Alain; Baaden, Marc

2013-04-01

Interactions between biomolecules and inorganic surfaces play an important role in natural environments and in industry, including a wide variety of conditions: marine environment, ship hulls (fouling), water treatment, heat exchange, membrane separation, soils, mineral particles at the earth's surface, hospitals (hygiene), art and buildings (degradation and biocorrosion), paper industry (fouling) and more. To better control the first steps leading to adsorption of a biomolecule on an inorganic surface, it is mandatory to understand the adsorption mechanisms of biomolecules of several sizes at the atomic scale, that is, the nature of the chemical interaction between the biomolecule and the surface and the resulting biomolecule conformations once adsorbed at the surface. This remains a challenging and unsolved problem. Here, we review the state of art in experimental and theoretical approaches. We focus on metallic biomaterial surfaces such as TiO(2) and stainless steel, mentioning some remarkable results on hydroxyapatite. Experimental techniques include atomic force microscopy, surface plasmon resonance, quartz crystal microbalance, X-ray photoelectron spectroscopy, fluorescence microscopy, polarization modulation infrared reflection absorption spectroscopy, sum frequency generation and time of flight secondary ion mass spectroscopy. Theoretical models range from detailed quantum mechanical representations to classical forcefield-based approaches. Copyright © 2012 Wiley Periodicals, Inc.
Experimental and theoretical studies on hydrogenation of olefins in multiphase fixed bed reactors

Energy Technology Data Exchange (ETDEWEB)

Battsengel, B.; Datsevitch, L.; Jess, A. [Bayreuth Univ. (Germany). Dept. of Chemical Engineering

2003-07-01

Multi phase reactors like trickle bed systems are frequently used for gas-liquid reactions. In general, they have complex mass and heat transfer characteristics; scale-up is therefore difficult. The present work focuses on the role of mass transfer on the effective reaction rate, taking catalytic octene hydrogenation as a model reaction. The reaction rate in a trickle bed reactor is by a factor of about 20 smaller than (theoretically) in the absence of any mass transfer limitations. Based on the experimental results, the so-called pre-saturation concept is presented, where only the liquid saturated with hydrogen is fed into the reactor. The effective reaction rate in this two phase system (liquid and solid cat.) is equal or even higher than in a trickle bed reactor. Scale-up problems do not occur, and the pre-saturation concept has also other advantages (lower energy consumption), as discussed in detail in this paper. (orig.)
The order-disorder transition in Cu2ZnSnS4: A theoretical and experimental study

International Nuclear Information System (INIS)

Quennet, Marcel; Ritscher, Anna; Lerch, Martin; Paulus, Beate

2017-01-01

In this work the Cu/Zn order-disorder transition in Cu 2 ZnSnS 4 kesterites on Wyckoff positions 2c and 2d was investigated by a structural and electronic analysis in theory and experiment. For experimental investigations stoichiometric samples with different Cu/Zn order, annealed in the temperature range of 473–623 K and afterwards quenched, were used. The optical gaps were determined using the Derivation of Absorption Spectrum Fitting (DASF) method. Furthermore, the order-disorder transition was examined by DFT calculations for a closer analysis of the origins of the reduced band gap, showing a good agreement with experimental data with respect to structural and electronic properties. Our studies show a slight increase of lattice parameter c in the kesterite lattice with increasing disorder. Additionally, a reduced band gap was observed with increasing disorder, which is an effect of newly occurring binding motifs in the disordered kesterite structure. - Highlights: • Experimental and theoretical investigation on the order-disorder transition in kesterites. • Slight enlargements of lattice constants due to disorder in experiment and theory. • Strong band gap fluctuations with decreasing order. • Electronic structure deviations due to changing binding motifs. • Disorder as possible main source of low open-circuit voltages.
Computational tools for experimental determination and theoretical prediction of protein structure

Energy Technology Data Exchange (ETDEWEB)

O`Donoghue, S.; Rost, B.

1995-12-31

This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. The authors intend to review the state of the art in the experimental determination of protein 3D structure (focus on nuclear magnetic resonance), and in the theoretical prediction of protein function and of protein structure in 1D, 2D and 3D from sequence. All the atomic resolution structures determined so far have been derived from either X-ray crystallography (the majority so far) or Nuclear Magnetic Resonance (NMR) Spectroscopy (becoming increasingly more important). The authors briefly describe the physical methods behind both of these techniques; the major computational methods involved will be covered in some detail. They highlight parallels and differences between the methods, and also the current limitations. Special emphasis will be given to techniques which have application to ab initio structure prediction. Large scale sequencing techniques increase the gap between the number of known proteins sequences and that of known protein structures. They describe the scope and principles of methods that contribute successfully to closing that gap. Emphasis will be given on the specification of adequate testing procedures to validate such methods.
Theoretical-experimental study of the non-thermal effects of the polarized laser radiation in living tissues

International Nuclear Information System (INIS)

Ribeiro, M.S.

1991-01-01

In the present research we had as a fundamental objective to analyse the non-thermal effects of the laser polarized light in biological tissues. These effects were performed with low power laser output. The theoretical procedure consisted in looking for a simple model which connects the effect of light polarized with microscopically rough tissues using well established physical concepts. Experimentally, we created artificial wounds on the back of animals using liquid nitrogen (this method was chosen because it does not interfere in the biochemistry of the animal tissue). For the wound irradiation we have utilized a He-Ne attached to an optical system. (author)
Dissociative photoionization of 1,3-butadiene: experimental and theoretical insights.

Science.gov (United States)

Fang, Wenzheng; Gong, Lei; Zhang, Qiang; Shan, Xiaobin; Liu, Fuyi; Wang, Zhenya; Sheng, Liusi

2011-05-07

The vacuum-ultraviolet photoionization and dissociative photoionization of 1,3-butadiene in a region ∼8.5-17 eV have been investigated with time-of-flight photoionization mass spectrometry using tunable synchrotron radiation. The adiabatic ionization energy of 1,3-butadiene and appearance energies for its fragment ions, C(4)H(5)(+), C(4)H(4)(+), C(4)H(3)(+), C(3)H(3)(+), C(2)H(4)(+), C(2)H(3)(+), and C(2)H(2)(+), are determined to be 9.09, 11.72, 13.11, 15.20, 11.50, 12.44, 15.15, and 15.14 eV, respectively, by measurements of photoionization efficiency spectra. Ab initio molecular orbital calculations have been performed to investigate the reaction mechanism of dissociative photoionization of 1,3-butadiene. On the basis of experimental and theoretical results, seven dissociative photoionization channels are proposed: C(4)H(5)(+) + H, C(4)H(4)(+) + H(2), C(4)H(3)(+) + H(2) + H, C(3)H(3)(+) + CH(3), C(2)H(4)(+) + C(2)H(2), C(2)H(3)(+) + C(2)H(2) + H, and C(2)H(2)(+) + C(2)H(2) + H(2). Channel C(3)H(3)(+) + CH(3) is found to be the dominant one, followed by C(4)H(5)(+) + H and C(2)H(4)(+) + C(2)H(2). The majority of these channels occur via isomerization prior to dissociation. Transition structures and intermediates for those isomerization processes were also determined.
Inhibition of mild steel corrosion in acid solution by Pheniramine drug: Experimental and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Ahamad, Ishtiaque [Department of Applied Chemistry, Institute of Technology, Banaras Hindu University, Varanasi 221 005 (India); Prasad, Rajendra [Department of Chemistry, SGB Amravati University, Amravati 444 602 (India); Quraishi, M.A., E-mail: maquraishi@rediffmail.co [Department of Applied Chemistry, Institute of Technology, Banaras Hindu University, Varanasi 221 005 (India)

2010-09-15

Inhibition of mild steel corrosion in 1 M HCl solution by Pheniramine drug was studied using weight loss, electrochemical impedance spectroscopy, linear polarization resistance, and potentiodynamic polarization measurements. The values of activation energy (E{sub a}) and different thermodynamic parameters such as adsorption equilibrium constant (K{sub ads}), free energy of adsorption ({Delta}G{sub ads}{sup o}), adsorption enthalpy ({Delta}H{sub ads}{sup o}) and adsorption entropy ({Delta}S{sub ads}{sup o}) were calculated and discussed. The adsorption process of studied drug on mild steel surface obeys the Langmuir adsorption isotherm. Potentiodynamic polarization measurements showed that Pheniramine is mixed-type inhibitor. Further, theoretical calculations were carried out and relations between computed parameters and experimental inhibition efficiency were discussed.

Theoretical and experimental study on the Nd:YAG/BaWO4/KTP yellow laser generating 8.3 W output power.

Science.gov (United States)

Cong, Zhenhua; Zhang, Xingyu; Wang, Qingpu; Liu, Zhaojun; Chen, Xiaohan; Fan, Shuzhen; Zhang, Xiaolei; Zhang, Huaijin; Tao, Xutang; Li, Shutao

2010-06-07

A diode-side-pumped actively Q-switched intracavity frequency-doubled Nd:YAG/BaWO(4)/KTP Raman laser is studied experimentally and theoretically. Rate equations are used to analyze the Q-switched yellow laser by considering the transversal distributions of the intracavity photon density and the inversion population density. An 8.3 W 590 nm laser is obtained with a 125.8 W 808 nm pump power and a 15 kHz pulse repetition frequency. The corresponding optical conversion efficiency from diode laser to yellow laser is 6.57%, much higher than that of the former reported side-pumped yellow laser. The output powers with respect to the incident pump power are in agreement with the theoretical results on the whole.
Theoretical, physical and experimental study of fissile aqueous media; Etudes theorique, physique et experimentale des milieux fissiles aqueux

Energy Technology Data Exchange (ETDEWEB)

Caizergues, R. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-04-01

This thesis consists of a set of theoretical and experimental studies. a) Theoretical calculation methods used for cross-sections and the critical parameters; b) Comparison of the theoretical and experimental results: it is shown that the agreement between these results cannot be improved above a certain limit because of the accuracy with which are known the composition and the dimensions of the media and the microscopic cross-sections; c) Determination of the ratios {eta}{sup 9}-bar / {eta}{sup 5}-bar, {eta}{sup 3}-bar / {eta}{sup 5}-bar for fissile aqueous media ({eta}-bar: number of neutrons emitted per neutron absorbed, averaged over the reactor neutron spectrum). Evaluation of the accuracy to which these ratios are known; d) Effect of {sup 240}Pu: the measurements are carried out on Pu with a {sup 240}Pu content of 1.5 per cent, 3.11 per cent and 9.95 per cent; Calculation of the resonance integral I240 using the experimental results gives values in reasonable agreement with the results obtained by other more conventional methods. e) Measurement of the spectrum indices for aqueous media containing Pu, U5 and U3. With these latter it is possible to obtain mean fission cross-section ratios {sigma}f239-bar / {sigma}f235-bar for these different spectra. A calculation-experiment comparison is carried out using various theoretical methods. (author) [French] Cette these groupe un ensemble d'etudes theoriques et experimentales. a) Methodes theoriques de calcul utilisees pour les sections efficaces et les parametres critiques; b) Comparaisons des resultats theoriques et experimentaux: on montre que l'accord entre ces resultats ne peut etre ameliore au-dela de certaines limites vu la precision avec laquelle sont connues la composition et les dimensions des milieux et les sections efficaces macroscopiques; c) Determination des rapports {eta}{sup 9}-bar / {eta}{sup 5}-bar, {eta}{sup 3}-bar / {eta}{sup 5}-bar pour les milieux fissiles aqueux ({eta}: nombre de
Theoretical, physical and experimental study of fissile aqueous media; Etudes theorique, physique et experimentale des milieux fissiles aqueux

Energy Technology Data Exchange (ETDEWEB)

Caizergues, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-04-01

This thesis consists of a set of theoretical and experimental studies. a) Theoretical calculation methods used for cross-sections and the critical parameters; b) Comparison of the theoretical and experimental results: it is shown that the agreement between these results cannot be improved above a certain limit because of the accuracy with which are known the composition and the dimensions of the media and the microscopic cross-sections; c) Determination of the ratios {eta}{sup 9}-bar / {eta}{sup 5}-bar, {eta}{sup 3}-bar / {eta}{sup 5}-bar for fissile aqueous media ({eta}-bar: number of neutrons emitted per neutron absorbed, averaged over the reactor neutron spectrum). Evaluation of the accuracy to which these ratios are known; d) Effect of {sup 240}Pu: the measurements are carried out on Pu with a {sup 240}Pu content of 1.5 per cent, 3.11 per cent and 9.95 per cent; Calculation of the resonance integral I240 using the experimental results gives values in reasonable agreement with the results obtained by other more conventional methods. e) Measurement of the spectrum indices for aqueous media containing Pu, U5 and U3. With these latter it is possible to obtain mean fission cross-section ratios {sigma}f239-bar / {sigma}f235-bar for these different spectra. A calculation-experiment comparison is carried out using various theoretical methods. (author) [French] Cette these groupe un ensemble d'etudes theoriques et experimentales. a) Methodes theoriques de calcul utilisees pour les sections efficaces et les parametres critiques; b) Comparaisons des resultats theoriques et experimentaux: on montre que l'accord entre ces resultats ne peut etre ameliore au-dela de certaines limites vu la precision avec laquelle sont connues la composition et les dimensions des milieux et les sections efficaces macroscopiques; c) Determination des rapports {eta}{sup 9}-bar / {eta}{sup 5}-bar, {eta}{sup 3}-bar / {eta}{sup 5}-bar pour les milieux fissiles aqueux ({eta}: nombre de neutrons emis
XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Summary of reports

International Nuclear Information System (INIS)

2011-01-01

The collection contains materials of plenary, sectional and poster sessions, presented at the XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Theoretical questions and new experimental methods of chemistry of solutions, structure and dynamics of molecular and ion-molecular systems in solution and at the phase boundary; modern aspects of applied chemistry of solutions are discussed [ru
Photo-physical properties of dimers formed by tri-aryl pyrylium salts: experimental and theoretical study

International Nuclear Information System (INIS)

Lampre, Isabelle

1996-01-01

This research thesis reports the study of dimers formed in solution by aggregation of tri-aryl pyrylium salts, in order to establish a direct correlation between properties and electronic structure of components, on the one hand, and molecular pattern, on the other hand. The author adopted a multidisciplinary approach by using experimental techniques and calculations based on the excitonic theory and methods of quantum chemistry. First, the properties of the first excited states of cationic chromophores have been studied (characterisation of electronic transitions, relaxation at the singlet excited state, formation of triplet state). Then, the author analysed dimerisation processes and showed that each dimer is formed by two pairs of ions. She discusses some original optical properties of dimers. The geometry of dimers is theoretically determined by minimising the system interaction potential energy. Electronic transitions are then determined as linear combinations of transitions of two monomers. Properties are thus calculated and are in agreement with those deduced from spectral analysis. The experimentally noticed polarisation change and large Stokes displacement are then explained in terms of emission for a localised state on a chromophore [fr
Experimental and theoretical study of electronic structure of aluminum in extreme conditions with X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Festa, Floriane

2013-01-01

Matter in extreme conditions belongs to Warm Dense Matter regime which lays between dense plasma regime and condensed matter. This regime is still not well known, indeed it is very complex to generate such plasma in the laboratory to get experimental data and validate models. The goal of this thesis is to study electronic structure of aluminum in extreme conditions with X-ray absorption spectroscopy. Experimentally aluminum has reached high densities and high temperatures, up to now unexplored. An X-ray source has also been generated to probe highly compressed aluminum. Two spectrometers have recorded aluminum absorption spectra and aluminum density and temperature conditions have been deduced thanks to optical diagnostics. Experimental spectra have been compared to ab initio spectra, calculated in the same conditions. The theoretical goal was to validate the calculation method in high densities and high temperatures regime with the study of K-edge absorption modifications. We also used absorption spectra to study the metal-non metal transition which takes place at low density (density ≤ solid density). This transition could be study with electronic structure modifications of the system. (author) [fr
Instrumented tube burns: theoretical and experimental observations

Energy Technology Data Exchange (ETDEWEB)

Yarrington, Cole Davis [Los Alamos National Laboratory; Obrey, Stephen J [Los Alamos National Laboratory; Foley, Timothy J [Los Alamos National Laboratory; Son, Steven F [Los Alamos National Laboratory

2009-01-01

The advent of widely available nanoscale energetic composites has resulted in a flurry of novel applications. One of these applications is the use of nanomaterials in energetic compositions. In compositions that exhibit high sensitivity to stimulus, these materials are often termed metastable intermolecular composites (MIC). More generally, these compositions are simply called nanoenergetics. Researchers have used many different experimental techniques to analyze the various properties of nanoenergetic systems. Among these various techniques, the confined tube burn is a simple experiment that is capable of obtaining much data related to the combustion of these materials. The purpose of this report is to review the current state of the confined tube burn experiment, including the drawbacks of the technique and possible remedies. As this report is intended to focus on the specific experimental technique, data from many different energetic materials, and experimental configurations will be presented. The qualitative and quantitative data that can be gathered using confined tube burn experiments include burning rates, total impulse, pressure rise rate, and burning rate differences between different detector types. All of these measurements lend insight into the combustion properties and mechanisms of specific nanoenergetics. Finally, certain data indicates a more complicated flow scenario which may need to be considered when developing burn tube models.
Correlations among experimental and theoretical NMR data to determine the absolute stereochemistry of darcyribeirine, a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora

Science.gov (United States)

Cancelieri, Náuvia Maria; Ferreira, Thiago Resende; Vieira, Ivo José Curcino; Braz-Filho, Raimundo; Piló-Veloso, Dorila; Alcântara, Antônio Flávio de Carvalho

2015-10-01

Darcyribeirine (1) is a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora. Stereochemistry of 1 was previously proposed based on 1D (coupling constant data) and 2D (NOESY correlations) NMR techniques, having been established a configuration 3R, 15S, and 20R (isomer 1a). Stereoisomers of 1 (i.e., 1a-1h) can be grouped into four sets of enantiomers. Carbon chemical shifts and hydrogen coupling constants were calculated using BLYP/6-31G* theory level for the eight isomers of 1. Calculated NMR data of 1a-1h were correlated with the corresponding experimental data of 1. The best correlations between theoretical and experimental carbon chemical shift data were obtained for the set of enantiomers 1e/1f to structures in the gaseous phase and considering solvent effects (using PCM and explicit models). Similar results were obtained when the same procedure was performed to correlations between theoretical and experimental coupling constant data. Finally, optical rotation calculations indicate 1e as its absolute stereochemistry. Orbital population analysis indicates that the hydrogen bonding between N-H of 1e and DMSO is due to contributions of its frontier unoccupied molecular orbitals, mainly LUMO+1, LUMO+2, and LUMO+3.
Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation

Energy Technology Data Exchange (ETDEWEB)

Qu, Zongjin; Li, Peng; Zhang, Xuexiang; Wang, Endong; Wang, Yanni; Zhou, Panwang, E-mail: pwzhou@dicp.ac.cn

2016-09-15

The photophysical properties of N-butyl-4-hydroxyl-1, 8-naphthalimide (BOH) and N-(morpholinoethyl)−4-hydroxy-1, 8-naphthalimide (MOH) in various solvents are presented and the density functional theory (DFT)/time-dependent density functional theory (TDDFT) methods at the B3LYP/TZVP theoretical level are adopted to investigate the UV–visible absorption and emission data. An efficient intermolecular excited-state proton transfer (ESPT) reaction occurs for both compounds in DMSO, methanol and water. In aqueous solution, both BOH and MOH can be used as ratiometric pH probes and perform as strong photoacids with pKa*=−2.2, −2.4, respectively. Most interestingly, in the steady-state fluorescence spectra of BOH and MOH in concentrated HCl, an unexpected blue-shifted band is observed and assumed to originate from the contact ion pair (CIP) formed by hydronium ion and the anionic form of the photoacid resulted from ESPT. Theoretical calculations are used to simulate the CIP in the case of BOH, which afford reasonable results compared with the experimental data.
Validation by theoretical approach to the experimental estimation of efficiency for gamma spectrometry of gas in 100 ml standard flask

International Nuclear Information System (INIS)

Mohan, V.; Chudalayandi, K.; Sundaram, M.; Krishnamony, S.

1996-01-01

Estimation of gaseous activity forms an important component of air monitoring at Madras Atomic Power Station (MAPS). The gases of importance are argon 41 an air activation product and fission product noble gas xenon 133. For estimating the concentration, the experimental method is used in which a grab sample is collected in a 100 ml volumetric standard flask. The activity of gas is then computed by gamma spectrometry using a predetermined efficiency estimated experimentally. An attempt is made using theoretical approach to validate the experimental method of efficiency estimation. Two analytical models named relative flux model and absolute activity model were developed independently of each other. Attention is focussed on the efficiencies for 41 Ar and 133 Xe. Results show that the present method of sampling and analysis using 100 ml volumetric flask is adequate and acceptable. (author). 5 refs., 2 tabs
Experimental (FT-IR, FT-Raman, 1H, 13C NMR) and theoretical study of alkali metal 2-aminobenzoates

Science.gov (United States)

Samsonowicz, M.; Świsłocka, R.; Regulska, E.; Lewandowski, W.

2008-09-01

The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of the 2-aminobenzoic acid was studied by the methods of molecular spectroscopy. The vibrational (FT-IR, FT-Raman) and NMR ( 1H and 13C) spectra for 2-aminobenzoic acid and its alkali metal salts were recorded. The assignment of vibrational spectra was done on the basis of literature data, theoretical calculations and our previous experience. Characteristic shifts of bands and changes in intensities of bands along the metal series were observed. The changes of chemical shifts of protons ( 1H NMR) and carbons ( 13C NMR) in the series of studied alkali metal 2-aminobenzoates were observed too. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G ∗∗ basis set. Geometric aromaticity indices, dipole moments and energies were also calculated. The theoretical wavenumbers and intensities of IR and Raman spectra were obtained. The calculated parameters were compared to experimental characteristic of studied compounds.
theoretical and experimental study of plasma acceleration by means of R.F. and static magnetic field gradient

International Nuclear Information System (INIS)

Bardet, Rene; Consoli, Terenzio; Geller, Richard

1964-09-01

In the first part of the paper, the theory of the physical mechanism of ion dragging by accelerated electrons due to the superimposition of the gradient of a electromagnetic field and the gradient of a static magnetic field, is described. The resulting trajectory of the electrons is a helicoid and one shows the variations of the diameter and the path of the spirals along the axis as a function of the difference between the gyrofrequency and the applied R.F. frequency. The ion acceleration is due to an electron space charge effect. The grouping of the equations of the electronic and ionic fluid motions leads to the introduction of a tensor mass: along the x and y direction the transverse motion of the fluid is controlled by the relativistic mass of electrons whereas along the z direction the axial motion is determined by the ionic mass. Then we deduce physical consequences of the theoretical study and give three experimental evidences. The second part of the paper is devoted to the experimental device called Pleiade which allowed us to verify some of the theoretical predictions. Pleiade produces a D.C. operating plasma beam in which the electrons exhibit radially oriented energies whereas the ionic energy is mainly axial. The experimental results indicate that the energy of the particles is in the keV range. In the third part we deal with the reflecting properties of the device. We show that the R.F. static magnetic field gradients are not only capable of accelerating a Plasma beam along the axially decreasing magnetic field, but are also capable of stopping and reflecting such a beam when the latter is moving along an axially increasing magnetic field. We describe finally a plasma accumulation experiment in which two symmetric structures form simultaneously an accelerator and a 'dynamic mirror' for the particles. Evidence of accumulation is given. (authors) [fr
Speed-resolution advantage of turbulent supercritical fluid chromatography in open tubular columns: II - Theoretical and experimental evidences.

Science.gov (United States)

Gritti, Fabrice; Fogwill, Michael

2017-06-09

The potential advantage of turbulent supercritical fluid chromatography (TSFC) in open tubular columns (OTC) was evaluated on both theoretical and practical viewpoints. First, the dispersion model derived by Golay in 1958 and recently extended from laminar to turbulent flow regime is used for the predictions of the speed-resolution performance in TSFC. The average dispersion coefficient of matter in the turbulent flow regime was taken from the available experimental data over a range of Reynolds number from 2000 to 6000. Kinetic plots are built at constant pressure drop (ΔP=4500psi) and Schmidt number (Sc=15) for four inner diameters (10, 30, 100, and 300μm) of the OTC and for three retention factors (0, 1, and 10). Accordingly, in turbulent flow regime, for a Reynolds number of 4000 and a retention factor of 1 (the stationary film thickness is assumed to be negligible with respect to the OTC diameter), the theory projects that a 300μm i.d. OTC has the same speed-resolution power (200,000 theoretical plates; 2.4min hold-up time) as that of a 10μm i.d. OTC operated in laminar flow regime. Secondly, the experimental plate heights of n-butylbenzene are measured in laminar and turbulent flow regimes for a 180μm×4.8m fused silica capillary column using pure carbon dioxide as the mobile phase. The back pressure regulator was set at 1500psi, the temperature was uniform at 297K, and the flow rate was increased step-wise from 0.50 to 3.60mL/min so that the experimental Reynolds number increases from 700 to 5400. The experiments are in good agreement with the plate heights projected in TSFC at high flow rates and with those expected at low flow rates in a laminar flow regime. Copyright © 2017 Elsevier B.V. All rights reserved.
Theoretical and experimental investigations on the cooling capacity distributions at the stages in the thermally-coupled two-stage Stirling-type pulse tube cryocooler without external precooling

Science.gov (United States)

Tan, Jun; Dang, Haizheng

2017-03-01

The two-stage Stirling-type pulse tube cryocooler (SPTC) has advantages in simultaneously providing the cooling powers at two different temperatures, and the capacity in distributing these cooling capacities between the stages is significant to its practical applications. In this paper, a theoretical model of the thermally-coupled two-stage SPTC without external precooling is established based on the electric circuit analogy with considering real gas effects, and the simulations of both the cooling performances and PV power distribution between stages are conducted. The results indicate that the PV power is inversely proportional to the acoustic impedance of each stage, and the cooling capacity distribution is determined by the cold finger cooling efficiency and the PV power into each stage together. The design methods of the cold fingers to achieve both the desired PV power and the cooling capacity distribution between the stages are summarized. The two-stage SPTC is developed and tested based on the above theoretical investigations, and the experimental results show that it can simultaneously achieve 0.69 W at 30 K and 3.1 W at 85 K with an electric input power of 330 W and a reject temperature of 300 K. The consistency between the simulated and the experimental results is observed and the theoretical investigations are experimentally verified.
Experimental verification of theoretical equations for acoustic radiation force on compressible spherical particles in traveling waves

Science.gov (United States)

Johnson, Kennita A.; Vormohr, Hannah R.; Doinikov, Alexander A.; Bouakaz, Ayache; Shields, C. Wyatt; López, Gabriel P.; Dayton, Paul A.

2016-05-01

Acoustophoresis uses acoustic radiation force to remotely manipulate particles suspended in a host fluid for many scientific, technological, and medical applications, such as acoustic levitation, acoustic coagulation, contrast ultrasound imaging, ultrasound-assisted drug delivery, etc. To estimate the magnitude of acoustic radiation forces, equations derived for an inviscid host fluid are commonly used. However, there are theoretical predictions that, in the case of a traveling wave, viscous effects can dramatically change the magnitude of acoustic radiation forces, which make the equations obtained for an inviscid host fluid invalid for proper estimation of acoustic radiation forces. To date, experimental verification of these predictions has not been published. Experimental measurements of viscous effects on acoustic radiation forces in a traveling wave were conducted using a confocal optical and acoustic system and values were compared with available theories. Our results show that, even in a low-viscosity fluid such as water, the magnitude of acoustic radiation forces is increased manyfold by viscous effects in comparison with what follows from the equations derived for an inviscid fluid.
Theoretical and experimental study on the magnetomechanical behavior of superconducting helical coils for a fusion reactor

International Nuclear Information System (INIS)

Takaghi, T.; Miya, K.; Yamada, H.; Takagi, T.

1984-01-01

The magnetomechanical behavior of superconducting helical coils for a magnetic fusion reactor was investigated experimentally and theoretically. Deformations of straight and torus type helical coils were caused due to static electromagnetic forces in the liquid helium cryostat and were analysed with the finite element computer code made here. Despite of a large scatter of experimental data due to a non-uniform friction force between the helical coil and the torus of stainless steel, the numerical results are very close to the mean value of the data. Numerical analysis of the force distribution acting on the helical coils was also performed for a Heliotron's coil system to characterize its nature. The force could be categorized conveniently as an extensional force, a tangential force and a toroidal force which correspond respectively to the kind of forces acting on toroidal field coils. Additionally, the effect of mechanical constraint on the magnetomechanical behavior is discussed and shows that the location of the constraint significantly affects the stress distributions in the coils. (orig.)
Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2'-bipyridine ligand

Energy Technology Data Exchange (ETDEWEB)

Marques, Lippy F.; Correa, Charlane C.; Garcia, Humberto C. [Departamento de Química-ICE, Universidade Federal de Juiz de Fora, Juiz de Fora-MG 36036-330 (Brazil); Martins Francisco, Thiago [Departamento de Física-ICEx, Universidade Federal de Minas Gerais, Pampulha, Belo Horizonte-MG 30123-970 (Brazil); Ribeiro, Sidney J.L. [Instituto de Química, Universidade Estadual Paulista Júlio de Mesquita Filho-UNESP, CP 355, Araraquara-SP 14801-970 (Brazil); Dutra, José Diogo L.; Freire, Ricardo O. [Pople Computational Chemistry Laboratory, Departamento de Química, Universidade Federal de Sergipe, São Cristóvão-SE 49100-000 (Brazil); Machado, Flávia C., E-mail: flavia.machado@ufjf.edu.br [Departamento de Química-ICE, Universidade Federal de Juiz de Fora, Juiz de Fora-MG 36036-330 (Brazil)

2014-04-15

In this paper, the synthesis of three new binuclear lanthanide (III) complexes [Ln{sub 2}(cin){sub 6}(bpy){sub 2}] (Ln=Eu (1), Tb (2), Gd (3), cin=hydrocinnamate anion; bpy=2,2'-bipyridine), and their complete characterization, including single crystal X-ray diffraction, FTIR spectroscopy and thermal analysis (TGA/DTA) are reported. In especial, photophysical properties of Eu(III) complex have been studied in detail via both theoretical and experimental approaches. Crystal structures of 1–3 reveal that all compounds are isostructural and that each lanthanide ion is nine-coordinated by oxygen and nitrogen atoms in an overall distorted tricapped trigonal-prismatic geometry. Eu(III) complex structure was also calculated using the Sparkle model for lanthanide complexes and the intensity parameters (Ω{sub 2}, Ω{sub 4}, and Ω{sub 6}), calculated from the experimental data and from Sparkle/PM3 model. The theoretical emission quantum efficiencies obtained for Sparkle/PM3 structures are in excellent agreement with the experimental values, clearly attesting to the efficacy of the theoretical models. The theoretical procedure applied here shows that the europium binuclear compound displays a quantum yield about 65% suggesting that the system can be excellent for the development of efficient luminescent devices. Highlights: • First binuclear Ln{sup 3+}-hydrocinnamate have been synthesized and characterized. • Eu{sup 3+}, Tb{sup 3+} and Gd{sup 3+} complexes photoluminescence properties were investigated. • Theoretical approaches for Eu{sup 3+} complex luminescence has been performed. • An energy level diagram is used to establish the ligand-to-metal energy transfer. • 65% Quantum yield suggests an excellent system for luminescent devices.
A theoretical and (e,2e) experimental investigation into the complete valence electronic structure of (1.1.1) propellane

Energy Technology Data Exchange (ETDEWEB)

Adcock, W.; Clark, C.I. [Flinders Univ. of South Australia, Bedford Park, SA (Australia); Brunger, M.J.; McCarthy, I.E. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences; Michalewicz, M.T. [CSIRO, Carlton, VIC (Australia). Division of Information Technology; Von Niessen, W. [Technische Univ., Braunschweig (Germany). Institute fur Physikalische and Theoretische Chemie; Weigold, E. [Australian National Univ., Canberra, ACT (Australia). Inst. of Advanced Studies; Winkler, D.A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Clayton, VIC (Australia). Div. of Chemical Physics

1996-08-01

The first comprehensive electronic structural study of the complete valence shell of [1.1.1] propellane is reported. Binding energy spectra were measured in the energy regime 3.5-46.5 eV over a range of different target electron momentum so that individual orbital momentum profiles could also be determined. These binding energy spectra were collected using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1000 eV, with a coincidence energy resolution of 1.38 eV and a momentum resolution of about 0.1 a.u. The experimental orbital electron momentum profiles are compared with those calculated in the plane wave impulse approximation (PWIA) using both a triple zeta plus polarisation level SCF wavefunction and a further 13 basis sets as calculated using Density Functional Theory (DFT). A critical comparison between the experimental an theoretical momentum distributions (MDs) allows to determine the optimum wavefunction for [1.1.1]propellane. In general, the level of agreement between the experimental and theoretical MDs for the optimum wavefunction for all of the respective valence orbitals was very good. The determination of this wavefunction then allowed to derive the chemically interesting molecular properties of [1.1.1]propellane. These include infrared spectra, bond lengths, bond orders, electron densities and many others. A summary of these results and a comparison of them with the previous results of other workers is presented with the level of agreement typically being good. In particular, the existence of the C1-C3 bridging bond with a bond order of 0.70 was confirmed. 59 refs., 4 tabs., 11 figs.
Dynamics of Chemical and Charge Transfer Reactions of Molecular Dications: Part V. An Experimental and Theoretical Study of Reactions between CHCl2+ and Ar, Kr and Xe

Czech Academy of Sciences Publication Activity Database

Roithová, Jana; Žabka, Ján; Thissen, R.; Herman, Zdeněk

2003-01-01

Roč. 5, - (2003), s. 2988-2995 ISSN 1463-9076 R&D Projects: GA ČR GA203/00/0632; GA AV ČR KJB4040302 Grant - others:Konktakt Barrande(XE) 2002-013-1 Institutional research plan: CEZ:AV0Z4040901 Keywords : charge-transfer * experimental and theoretical study * molecular dications Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.959, year: 2003
Resistance and Renewal in Theoretical Psychology

DEFF Research Database (Denmark)

psychology, resistance and renewal, form the overall theme for a selection of theoretical papers that is framed — in this iteration of the International Society for Theoretical Psychology's (ISTP) proceedings — by reflections on the 30 year history of the ISTP as well as by considerations of the future....... The diversity and creativity of the work undertaken within theoretical psychology is further exemplified by papers on the history of the ISTP and theoretical psychology, a new paradigm for functional disorders, experimental introspection and techniques of self, the performativity of psychological science......Theoretical psychologists continue to challenge psychology, related disciplines and the work of other theoretical psychologists through a wide variety of activities that include conceptual clarification and creative theorizing. In many cases, these activities are experienced by the relevant...

High-resolution electron spectroscopy of the 1s{sup 2}3lnl' Be-like series in oxygen and neon. Test of theoretical data: I. Experimental method and theoretical background

Energy Technology Data Exchange (ETDEWEB)

Bordenave-Montesquieu, A; Moretto-Capelle, P; Bordenave-Montesquieu, D [Laboratoire CAR-IRSAMC, UMR 5589 CNRS - Universite Paul Sabatier, 31062 Toulouse (France)

2003-01-14

A complete and accurate experimental test of theoretical spectroscopic data sets (state positions, lifetimes) available for the n = 3-5 terms of the 1s{sup 2}3lnl' Rydberg series of oxygen and neon ions is presented in a series of two papers. This result was achieved by fitting our high resolution electron spectra with post-collisional lineshapes calculated with the help of these spectroscopic data. In this paper the method which has been developed for this fitting procedure is explained. In addition, as a first test, a comparison of all the available calculated spectroscopic data is presented and discussed. Strong deviations of transition energies and decay lifetimes are observed in many cases. Best data are selected in the following companion paper through a quantitative comparison with our experimental electron spectra.
Theoretical studies of field-reversed configurations (FRC) and experimental study of the FRC during translation

International Nuclear Information System (INIS)

Siemon, R.E.; Armstrong, W.T.; Chrien, R.E.

1985-01-01

Theoretical studies of FRC stability and transport are summarized. Finite Larmor radius theories are shown to be unreliable for explaining the experimentally observed stability to tilting. Control of the n=2 rotational instability has been demonstrated in two-dimensional hybrid code simulations, and the stability appears to be described within MHD if the nearly square equilibria that result from quadrupole fields are taken into account. Simulations of the lower hybrid drift instability in parameter regimes relevant to experiments show good agreement with a non-local theory of the instability. A 1.5-dimensional transport code shows agreement with the energy confinement time but disagreement with the flux loss time observed in FRX-C. The process of FRC translation in which the plasma is formed, translated into a DC solenoid and trapped by magnetic mirrors, has been studied in the FRX-C/T experiment. Efficient transfer of particles, energy and internal magnetic flux are observed with no enhancement of loss processes over in-situ FRC experiments. The axial velocity of the FRC can be estimated reasonably well with a simple model based on conservation of energy. Internal magnetic field probing during translation shows the expected structure of poloidal field and a complex distribution of generally weak toroidal fields. Measurements of radiated power indicate that radiation is a small fraction of the total plasma power loss (typically 8%). Translation has facilitated scaling studies of confinement over a wider range of parameters than were achieved by in-situ FRX-C experiments. For example, the variable xsub(s), the ratio of the separatrix radius to the metal wall radius, has been increased to about 0.7 by allowing the FRC to expand during translation. In all cases, particle confinement times agree within a factor of two with predictions by models that assume a lower hybrid drift resistivity. However, for the conditions studied there are indications that the experimental
Theoretical and Experimental Study of the Friction Behavior of Halogen-Free Ionic Liquids in Elastohydrodynamic Regime

Directory of Open Access Journals (Sweden)

Karthik Janardhanan

2016-05-01

Full Text Available Ionic Liquids have emerged as effective lubricants and additives to lubricants, in the last decade. Halogen-free ionic liquids have recently been considered as more environmentally stable than their halogenated counterparts, which tend to form highly toxic and corrosive acids when exposed to moisture. Most of the studies using ionic liquids as lubricants or additives of lubricants have been done experimentally. Due to the complex nature of the lubrication mechanism of these ordered fluids, the development of a theoretical model that predicts the ionic liquid lubrication ability is currently one of the biggest challenges in tribology. In this study, a suitable and existing friction model to describe lubricating ability of ionic liquids in the elastohydrodynamic lubrication regime is identified and compared to experimental results. Two phosphonium-based, halogen-free ionic liquids are studied as additives to a Polyalphaolefin base oil in steel–steel contacts using a ball-on-flat reciprocating tribometer. Experimental conditions (speed, load and roughness are selected to ensure that operations are carried out in the elastohydrodynamic regime. Wear volume was also calculated for tests at high speed. A good agreement was found between the model and the experimental results when [THTDP][Phos] was used as an additive to the base oil, but some divergence was noticed when [THTDP][DCN] was added, particularly at the highest speed studied. A significant decrease in the steel disks wear volume is observed when 2.5 wt. % of the two ionic liquids were added to the base lubricant.
Experimental-theoretical approach to carbon monoxide density calculation at the incipient stage of the fire indoors

Science.gov (United States)

Puzach, S. V.; Suleykin, E. V.; Akperov, R. G.; Nguyen, T. D.

2017-11-01

A new experimental-theoretical approach to the toxic gases concentrations assessment in case of fire indoors is offered. The analytical formulas for calculation of CO average volume density are received. These formulas do not contain the geometrical sizes of the room and surfaces dimensions of combustible materials and, therefore, are valid under conditions of as a small-scale fire as a large-scale fire. A small-scale experimental installation for modeling fire thermal and gas dynamics in the closed or open thermodynamic system has been designed. The results of the experiments on determining dependencies of CO average volume density from average volume temperature and oxygen average volume density as well as dependencies of specific coefficients of CO emission and specific mass rates of the combustible material gasification from the time of tests during the burning of wood, transformer oil and PVC cables shield are presented. The results of numerical experiments on CO density calculation in small and large scale rooms using the proposed analytical solutions, integral, zone and field models for calculation of fire thermal and gas dynamics are presented. The comparison with the experimental data obtained by the authors and given in the literature has been performed. It is shown that CO density calculation in the full-scale room at the incipient stage of the fire can be carried out taking into account only the experimental dependences of CO from temperature or O2 density, that have been obtained from small-scale experiments. Therefore the solution of the equation of carbon monoxide mass conservation law is not necessary.
Experimental and theoretical studies on the gas/solid/gas transformation cycle in extraterrestrial environments

Science.gov (United States)

Cottin, Hervé; Gazeau, Marie-Claire; Chaquin, Patrick; Raulin, François; Bénilan, Yves

2001-12-01

The ubiquity of molecular material in the universe, from hydrogen to complex organic matter, is the result of intermixed physicochemical processes that have occurred throughout history. In particular, the gas/solid/gas phase transformation cycle plays a key role in chemical evolution of organic matter from the interstellar medium to planetary systems. This paper focuses on two examples that are representative of the diversity of environments where such transformations occur in the Solar System: (1) the photolytic evolution from gaseous to solid material in methane containing planetary atmospheres and (2) the degradation of high molecular weight compounds into gas phase molecules in comets. We are currently developing two programs which couple experimental and theoretical studies. The aim of this research is to provide data necessary to build models in order to better understand (1) the photochemical evolution of Titan's atmosphere, through a laboratory program to determine quantitative spectroscopic data on long carbon chain molecules (polyynes) obtained in the SCOOP program (French acronym for Spectroscopy of Organic Compounds Oriented for Planetology), and (2) the extended sources in comets, through a laboratory program of quantitative studies of photochemical and thermal degradation processes on relevant polymers (e.g., Polyoxymethylene) by the SEMAPhOrE Cometaire program (French acronym for Experimental Simulation and Modeling Applied to Organic Chemistry in Cometary Environment).
Theoretical and experimental study of single particle tracking in extreme conditions: single photon imaging

International Nuclear Information System (INIS)

Cajgfinger, T.

2012-10-01

This manuscript presents my thesis on the high frame rate (500 frames / second) single-photon detector electron-bombarded CMOS (ebCMOS). The first section compares three ultra-sensitive detectors and their methods for improving photon sensitivity: the CMOS low noise (sCMOS), the electron-multiplying CCD (emCCD) with signal multiplication by pixel and the ebCMOS with amplification by applied electric field. The method developed to detect single photon impacts with intra-pixel resolution on the ebCMOS sensor is presented. The second section compares the localization accuracy of these detectors in extreme conditions of very low photon flux (<10 photons/frame). First the theoretical limit is calculated using the Cramer-Rao lower bound for significant parameter sets. An experimental comparison of the detectors is then described. The setup provides one or more point sources controlled in position, signal and background noise. The results allow a comparison of the experimental effectiveness, purity and localization accuracy. The last section describes two experiments with the ebCMOS camera. The first aims at tracking hundreds of quantum dots simultaneously at the Nanoptec center. The second focuses on the swimming of bacteria at the surface at the Joliot Curie Institute. The point sources tracking algorithm using single photons and the Kalman filter implementation developed for these experiments is also described. (author)
Theoretical and experimental investigation of the performance of solar thermosyphon heat pipe

International Nuclear Information System (INIS)

Hamidi, A.A.; Khalji Asadi, M.; Yousefi, L.; Moeini, G.

2001-01-01

pipe constructed and operated for this purpose. Comparisons between the experimental and theoretical results showed a difference range of +15%, which appears to show the suitability of the proposed model
Theoretical analysis and experimental evaluation of a CsI(Tl) based electronic portal imaging system

International Nuclear Information System (INIS)

Sawant, Amit; Zeman, Herbert; Samant, Sanjiv; Lovhoiden, Gunnar; Weinberg, Brent; DiBianca, Frank

2002-01-01

This article discusses the design and analysis of a portal imaging system based on a thick transparent scintillator. A theoretical analysis using Monte Carlo simulation was performed to calculate the x-ray quantum detection efficiency (QDE), signal to noise ratio (SNR) and the zero frequency detective quantum efficiency [DQE(0)] of the system. A prototype electronic portal imaging device (EPID) was built, using a 12.7 mm thick, 20.32 cm diameter, CsI(Tl) scintillator, coupled to a liquid nitrogen cooled CCD TV camera. The system geometry of the prototype EPID was optimized to achieve high spatial resolution. The experimental evaluation of the prototype EPID involved the determination of contrast resolution, depth of focus, light scatter and mirror glare. Images of humanoid and contrast detail phantoms were acquired using the prototype EPID and were compared with those obtained using conventional and high contrast portal film and a commercial EPID. A theoretical analysis was also carried out for a proposed full field of view system using a large area, thinned CCD camera and a 12.7 mm thick CsI(Tl) crystal. Results indicate that this proposed design could achieve DQE(0) levels up to 11%, due to its order of magnitude higher QDE compared to phosphor screen-metal plate based EPID designs, as well as significantly higher light collection compared to conventional TV camera based systems
Theoretical and experimental investigation of multispectral photoacoustic osteoporosis detection method

Science.gov (United States)

Steinberg, Idan; Hershkovich, Hadas Sara; Gannot, Israel; Eyal, Avishay

2014-03-01

Osteoporosis is a widespread disorder, which has a catastrophic impact on patients lives and overwhelming related to healthcare costs. Recently, we proposed a multispectral photoacoustic technique for early detection of osteoporosis. Such technique has great advantages over pure ultrasonic or optical methods as it allows the deduction of both bone functionality from the bone absorption spectrum and bone resistance to fracture from the characteristics of the ultrasound propagation. We demonstrated the propagation of multiple acoustic modes in animal bones in-vitro. To further investigate the effects of multiple wavelength excitations and of induced osteoporosis on the PA signal a multispectral photoacoustic system is presented. The experimental investigation is based on measuring the interference of multiple acoustic modes. The performance of the system is evaluated and a simple two mode theoretical model is fitted to the measured phase signals. The results show that such PA technique is accurate and repeatable. Then a multiple wavelength excitation is tested. It is shown that the PA response due to different excitation wavelengths revels that absorption by the different bone constitutes has a profound effect on the mode generation. The PA response is measured in single wavelength before and after induced osteoporosis. Results show that induced osteoporosis alters the measured amplitude and phase in a consistent manner which allows the detection of the onset of osteoporosis. These results suggest that a complete characterization of the bone over a region of both acoustic and optical frequencies might be used as a powerful tool for in-vivo bone evaluation.
Theoretical and Experimental Investigations of the Rotor Vibration Amplitude of the Turbocharger and Bearings Temperature

Directory of Open Access Journals (Sweden)

E. Zadorozhnaya

2017-12-01

Full Text Available One of the most urgent issues of the modern world and domestic automobile and tractor production is the problem of the production of efficient and reliable turbochargers. The rotor bearings largely determine the reliable operation of the turbocharger. By increasing the degree of the forcing of the engine the turbocharger rotor speed and the load increases significantly. Working conditions of bearings also complicated because of the temperature rise. In this case the bearing of the turbine and the compressor bearing works in different thermal conditions. The definition of the thermal state of the bearings can be performed experimentally. However, to perform these studies the sophisticated experimental equipment must be used. Researchers can't perform experiments for each type of turbocharger. Therefore, the applying of the theoretical approaches becomes more relevant. The peculiarity of the considered problem is the design of the bearings, which are made in the form of multilayer bearings with floating rings. Such designs increase the number of the parameters that affect the behaviour of the rotor. For the calculation of the multilayer bearings and turbocharger rotor dynamics a method and calculation algorithm was developed. A plan of the experiment based on the orthogonal central composite plan was drawn up. The regression equations for rotor amplitude and bearing temperature were obtained. As variable parameters the clearances (external and internal, rotor speed, pressure and lubricant temperature were used. The results of the calculation were compared with experimental results obtained at the plant. Non-Newtonian properties of the lubricants were taken into account in the calculations. Comparative results showed good agreement. In this way the resulting function can be applied to studies of the similarly multilayer bearings without complicated experimental studies.
Proceedings of the second United Nations international conference on the peaceful uses of atomic energy. V. 31. Theoretical and experimental aspects of controlled nuclear fusion

International Nuclear Information System (INIS)

1958-01-01

The main topics covered by the Conference are: possibility of controlled fusion and status of the research programmes in different countries (USSR, Germany, USA, UK); theoretical aspects of plasma physics; experimental aspects of plasma physics
Experimental and Theoretical Dynamic Study of the Aagesta Nuclear Power Station

Energy Technology Data Exchange (ETDEWEB)

Bliselius, P A; Vollmer, H; Aakerhielm, F

1969-12-15

The report presents a final review and summary of all dynamic investigations of the Aagesta nuclear power station. Special attention is paid to the final and unpublished experiments performed in 1965-66. These experiments are discussed and compared to the theoretical predictions. Transfer functions and step responses were measured by perturbations in reactivity and steam load. Three methods were used for transfer function measurements: step functions, trapeze waves and multifrequency functions based on the pseudo-random binary sequence (PRBS). From the frequency analysis we found that the different perturbation methods led to quite consistent results. For the Agesta application the PRBS method is demonstrated to be an accurate and practical method for obtaining experimental transfer functions. The step technique did not give satisfactory results for frequencies above approximately 0.01 Hz. From the static check of the model we may conclude that the experiments agree fairly well mutually and with theory. The measured reactivity coefficients tend to be smaller than the predicted ones. The predicted transients compare well with the measured ones. However, there is a tendency to more peaked power transients from the model. This is believed to be due to the assumption that the moderator could be regarded as one channel. The dynamic experiments carried out at the Agesta nuclear power station demonstrate both the inherent stability and the safety of this plant.
Theoretical and experimental determination of dosimetric characteristics for brachyseed{sup TM} Pd-103, model Pd-1, source

Energy Technology Data Exchange (ETDEWEB)

Meigooni, A.S. E-mail: alimeig@pop.uky.edu; Zhang Hualin; Perry, Candace; Dini, S.A.; Koona, R.A

2003-05-01

Dosimetric characteristics of the BrachySeed{sup TM} Pd-103, Model Pd-1 source have been determined using both theoretical and experimental methods. Dose rate constant, radial dose function, and anisotropy functions of the source have been obtained following the TG-43 recommendations. Derivation of the dose rate constant was based on recent NIST WAFAC calibration performed in accordance with their 1999 Standard. Measurements were performed in Solid Water{sup TM} using LiF TLD chips. Theoretical simulation calculations were performed in both Solid Water{sup TM} and water phantom materials using MCNP4C2 Monte Carlo code using DLC-200 interaction data. The results of the Monte Carlo simulation indicated a dose rate constant of 0.65 cGy h{sup -1} U{sup -1} and 0.61 cGy h{sup -1} U{sup -1} in water and Solid Water{sup TM}, respectively. The measured dose rate constant in Solid Water{sup TM} was found to be 0.63{+-}7% cGy h{sup -1} U{sup -1}, which is within the experimental uncertainty of the Monte-Carlo simulated results. The anisotropy functions of the source were calculated in both water and in Solid Water{sup TM} at the radial distances of 1 to 7 cm. Measurements were made in Solid Water{sup TM} at distances of 2, 3, 5, and 7 cm. The Monte-Carlo calculated anisotropy constant of the new source was found to be 0.98 in water. The tabulated data and 5th order polynomial fit coefficients for the radial dose function along with the dose rate constant and anisotropy functions are provided to support clinical use of this source.
1,2-Propanediol. Comprehensive experimental and theoretical study

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Nell, Gernot

2009-01-01

The standard (p 0 =0.1MPa) molar enthalpy of formation at the temperature 298.15 K of the liquid 1,2-propanediol was measured using combustion calorimetry. Molar enthalpies of vaporization of isomeric 1,2-propanediols were obtained from the temperature dependence of the vapor pressure measured by the transpiration method. Thermochemical investigations of 1,2-ethanediol and 1,2-propanediol available in the literature were collected and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available sublimation enthalpies data and to recommend consistent and reliable set of vaporization and formation enthalpies for both diols under study. Ab initio calculations of gaseous molar enthalpy of formation of 1,2-ethanediol and 1,2-propanediol have been performed using the G3MP2 method and results are in excellent agreement with the selected experimental data.
An experimental and theoretical investigation of particle–wall impacts in a T-junction

KAUST Repository

Vigolo, D.

2013-07-01

Understanding the behaviour of particles entrained in a fluid flow upon changes in flow direction is crucial in problems where particle inertia is important, such as the erosion process in pipe bends. We present results on the impact of particles in a T-shaped channel in the laminar-turbulent transitional regime. The impacting event for a given system is described in terms of the Reynolds number and the particle Stokes number. Experimental results for the impact are compared with the trajectories predicted by theoretical particle-tracing models for a range of configurations to determine the role of the viscous boundary layer in retarding the particles and reducing the rate of collision with the substrate. In particular, a two-dimensional model based on a stagnation-point flow is used together with three-dimensional numerical simulations. We show how the simple two-dimensional model provides a tractable way of understanding the general collision behaviour, while more advanced three-dimensional simulations can be helpful in understanding the details of the flow. © 2013 Cambridge University Press.
An experimental and theoretical investigation of particle–wall impacts in a T-junction

KAUST Repository

Vigolo, D.; Griffiths, I. M.; Radl, S.; Stone, H. A.

2013-01-01

Understanding the behaviour of particles entrained in a fluid flow upon changes in flow direction is crucial in problems where particle inertia is important, such as the erosion process in pipe bends. We present results on the impact of particles in a T-shaped channel in the laminar-turbulent transitional regime. The impacting event for a given system is described in terms of the Reynolds number and the particle Stokes number. Experimental results for the impact are compared with the trajectories predicted by theoretical particle-tracing models for a range of configurations to determine the role of the viscous boundary layer in retarding the particles and reducing the rate of collision with the substrate. In particular, a two-dimensional model based on a stagnation-point flow is used together with three-dimensional numerical simulations. We show how the simple two-dimensional model provides a tractable way of understanding the general collision behaviour, while more advanced three-dimensional simulations can be helpful in understanding the details of the flow. © 2013 Cambridge University Press.
TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

International Nuclear Information System (INIS)

Moura, K.F.; Maul, J.; Albuquerque, A.R.; Casali, G.P.; Longo, E.; Keyson, D.; Souza, A.G.; Sambrano, J.R.; Santos, I.M.G.

2014-01-01

In this study, a microwave assisted solvothermal method was used to synthesize TiO 2 with anatase structure. The synthesis was done using Ti (IV) isopropoxide and ethanol without templates or alkalinizing agents. Changes in structural features were observed with increasing time of synthesis and evaluated using periodic quantum chemical calculations. The anatase phase was obtained after only 1 min of reaction besides a small amount of brookite phase. Experimental Raman spectra are in accordance with the theoretical one. Micrometric spheres constituted by nanometric particles were obtained for synthesis from 1 to 30 min, while spheres and sticks were observed after 60 min. - Graphical abstract: FE-SEM images of anatase obtained with different periods of synthesis associated with the order–disorder degree. Display Omitted - Highlights: • Anatase microspheres were obtained by the microwave assisted hydrothermal method. • Only ethanol and titanium isopropoxide were used as precursors during the synthesis. • Raman spectra and XRD patterns were compared with quantum chemical calculations. • Time of synthesis increased the short-range disorder in one direction and decreased in another
Experimental and theoretical investigation of the elastic moduli of silicate glasses and crystals

Science.gov (United States)

Philipps, Katharina; Stoffel, Ralf Peter; Dronskowski, Richard; Conradt, Reinhard

2017-02-01

A combined quantum-mechanical and thermodynamic approach to the mechanical properties of multicomponent silicate glasses is presented. Quantum chemical calculations based on density-functional theory (DFT) on various silicate systems were performed to explore the crystalline polymorphs existing for a given chemical composition. These calculations reproduced the properties of known polymorphs even in systems with extensive polymorphism, like MgSiO3. Properties resting on the atomic and electronic structure, i.e., molar volumes (densities) and bulk moduli were predicted correctly. The theoretical data (molar equilibrium volumes, bulk moduli) were then used to complement the available experimental data. In a phenomenological evaluation, experimental data of bulk moduli, a macroscopic property resting on phononic structure, were found to linearly scale with the ratios of atomic space demand to actual molar volume in a universal way. Silicates ranging from high-pressure polymorphs to glasses were represented by a single master line. This suggests that above the Debye limit (in practice: above room temperature), the elastic waves probe the short range order coordination polyhedra and their next-neighbor linkage only, while the presence or absence of an extended translational symmetry is irrelevant. As a result, glasses can be treated - with respect to the properties investigated - as commensurable members of polymorphic series. Binary glasses fit the very same line as their one-component end-members, again both in the crystalline and glassy state. Finally, it is shown that the macroscopic properties of multicomponent glasses also are linear superpositions of the properties of their constitutional phases (as determined from phase diagrams or by thermochemical calculations) taken in their respective glassy states. This is verified experimentally for heat capacities and Young’s moduli of industrial glass compositions. It can be concluded, that the combined quantum
Experimental tests and theoretical predictions for electroweak processes

International Nuclear Information System (INIS)

Martinelli, G.; Istituto Nazionale di Fisica Nucleare, Frascati

1987-01-01

In sect. 2, I will briefly recall the basic ingredients of the standard model and I will define the relevant parameters. Low-energy processes which enter into the determination of neutral-current couplings to fermions (in particular sin 2 θ W ) are presented in sect. 3. Radiative corrections to these processes are discussed in sect. 4. In sect. 5 the measurements of the W and Z 0 masses at the SPS collider are described and compared with theoretical predictions including one-loop radiative corrections. (orig./BBO)
Theoretical and experimental estimates of the Peierls stress

CSIR Research Space (South Africa)

Nabarro, FRN

1997-03-01

Full Text Available - sidered in its original derivation. It is argued that the conditions of each type of experiment determine whether the P-N or the H formula is appropriate. ? 2. THEORETICAL Peierls's original estimate was based on a simple cubic lattice... with elastic isotropy and Poisson's ratio v. The result was (T z 20p exp [-47r/( 1 - v)]. (1) This value is so small that a detailed discussion of its accuracy would be point- Nabarro (1947) corrected an algebraic error in Peierls's calculation...

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