Environmental Chemistry Methods (ECM) Index - L

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with L as the first character.

Environmental Chemistry Methods (ECM) Index - H

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with H as the first character.

Environmental Chemistry Methods (ECM) Index - I

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with I as the first character.

Environmental Chemistry Methods (ECM) Index - Z

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with Z as the first character.

Environmental Chemistry Methods (ECM) Index - A

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Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with A as the first character.

Environmental Chemistry Methods (ECM) Index - E

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with E as the first character.

Environmental Chemistry Methods (ECM) Index - T

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with T as the first character.

Environmental Chemistry Methods (ECM) Index - D

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with D as the first character.

Environmental Chemistry Methods (ECM) Index - Q

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with Q as the first character.

Effects of Implementing a Hybrid Wet Lab and Online Module Lab Curriculum into a General Chemistry Course: Impacts on Student Performance and Engagement with the Chemistry Triplet

Science.gov (United States)

Irby, Stefan M.; Borda, Emily J.; Haupt, Justin

2018-01-01

Here, we describe the implementation a hybrid general chemistry teaching laboratory curriculum that replaces a portion of a course's traditional "wet lab" experiences with online virtual lab modules. These modules intentionally utilize representations on all three levels of the chemistry triplet-macroscopic, submicroscopic, and symbolic.…

Equation-Free Analysis of Macroscopic Behavior in Traffic and Pedestrian Flow

DEFF Research Database (Denmark)

Marschler, Christian; Sieber, Jan; Hjorth, Poul G.

2014-01-01

Equation-free methods make possible an analysis of the evolution of a few coarse-grained or macroscopic quantities for a detailed and realistic model with a large number of fine-grained or microscopic variables, even though no equations are explicitly given on the macroscopic level. This will fac......Equation-free methods make possible an analysis of the evolution of a few coarse-grained or macroscopic quantities for a detailed and realistic model with a large number of fine-grained or microscopic variables, even though no equations are explicitly given on the macroscopic level....... This will facilitate a study of how the model behavior depends on parameter values including an understanding of transitions between different types of qualitative behavior. These methods are introduced and explained for traffic jam formation and emergence of oscillatory pedestrian counter flow in a corridor...

Comprehensive understanding of mole concept subject matter according to the tetrahedral chemistry education (empirical study on the first-year chemistry students of Technische Universität Dresden)

Science.gov (United States)

Prabowo, D. W.; Mulyani, S.; van Pée, K.-H.; Indriyanti, N. Y.

2018-05-01

This research aims to apprehend: (1) the shape of tetrahedral chemistry education which is called the future of chemistry education, (2) comprehensive understanding of chemistry first-year students of Technische Universität Dresden according to the chemistry education’s tetrahedral shape on mole concept subject matter. This research used quantitative and qualitative; paper and pencil test and interview. The former was conducted in the form of test containing objective test instrument. The results of this study are (1) learning based on tetrahedral shape of chemistry education put the chemical substance (macroscopic), symbolic representation (symbol), and its process (molecular) in the context of human beings (human element) by integrating content and context, without emphasis on one thing and weaken another, (2) first-year chemistry students of Technische Universität Dresden have comprehensively understood the mole concept associated with the context of everyday life, whereby students are able to find out macroscopic information from statements that are contextual to human life and then by using symbols and formulas are able to comprehend the molecular components as well as to interpret and analyse problems effectively.

Nuclear fission as a macroscopic quantum tunneling

International Nuclear Information System (INIS)

Takigawa, N.

1995-01-01

We discuss nuclear fission from the point of view of a macroscopic quantum tunneling, one of whose major interests is to study the effects of environments on the tunneling rate of a macroscopic variable. We show that a vibrational excitation of the fissioning nucleus significantly enhances the fission rate. We show this effect by two different methods. The one is to treat the vibrational excitation as an environmental degree of freedom, the other treats the fission as a two dimensional quantum tunneling. (author)

Environmental Chemistry Methods (ECM) Index - 0-9

Science.gov (United States)

Laboratories use testing methods to identify pesticides in water and soil. Environmental chemistry methods test soil and water samples to determine the fate of pesticides in the environment. Find methods for chemicals with a number as the first character.

Micro-finite-element method to assess elastic properties of trabecular bone at micro- and macroscopic level.

Science.gov (United States)

Rieger, R; Auregan, J C; Hoc, T

2018-03-01

The objective of the present study is to assess the mechanical behavior of trabecular bone based on microCT imaging and micro-finite-element analysis. In this way two methods are detailed: (i) direct determination of macroscopic elastic property of trabecular bone; (ii) inverse approach to assess mechanical properties of trabecular bone tissue. Thirty-five females and seven males (forty-two subjects) mean aged (±SD) 80±11.7 years from hospitals of Assistance publique-Hôpitaux de Paris (AP-HP) diagnosed with osteoporosis following a femoral neck fracture due to a fall from standing were included in this study. Fractured heads were collected during hip replacement surgery. Standardized bone cores were removed from the femoral head's equator by a trephine in a water bath. MicroCT images acquisition and analysis were performed with CTan ® software and bone volume fraction was then determined. Micro-finite-element simulations were per-formed using Abaqus 6.9-2 ® software in order to determine the macroscopic mechanical behaviour of the trabecular bone. After microCT acquisition, a longitudinal compression test was performed and the experimental macroscopic Young's Modulus was extracted. An inverse approach based on the whole trabecular bone's mechanical response and micro-finite-element analysis was performed to determine microscopic mechanical properties of trabecular bone. In the present study, elasticity of the tissue was shown to be similar to that of healthy tissue but with a lower yield stress. Classical histomorphometric analysis form microCT imaging associated with an inverse micro-finite-element method allowed to assess microscopic mechanical trabecular bone parameters. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

A new characterization method of the microstructure by utilizing the macroscopic composition gradient in alloys

International Nuclear Information System (INIS)

Miyazaki, T.; Koyama, T.; Kobayashi, S.

1996-01-01

A new experimental method to determine the phase boundary and phase equilibrium is accomplished by - means of analytical transmission electron microscopy for alloys with a macroscopic composition gradient. The various phase boundaries, i.e. the coherent binodal and spinodal lines, incoherent binodal line and order/disorder transformation line are distinctly determined for the Cu-Ti alloy and the other alloy systems. Furthermore, the equilibrium compositions at the interface of precipitate/matrix can experimentally be obtained for various particle sizes, and thus the Gibbs-Thomson's relation is verified. It is expected that the composition gradient method proposed in the present will become an important experimental method of the microstructural characterization

Macroscopic balance equations for two-phase flow models

International Nuclear Information System (INIS)

Hughes, E.D.

1979-01-01

The macroscopic, or overall, balance equations of mass, momentum, and energy are derived for a two-fluid model of two-phase flows in complex geometries. These equations provide a base for investigating methods of incorporating improved analysis methods into computer programs, such as RETRAN, which are used for transient and steady-state thermal-hydraulic analyses of nuclear steam supply systems. The equations are derived in a very general manner so that three-dimensional, compressible flows can be analysed. The equations obtained supplement the various partial differential equation two-fluid models of two-phase flow which have recently appeared in the literature. The primary objective of the investigation is the macroscopic balance equations. (Auth.)

Macroscopic quantum tunneling in Mn12-acetat

International Nuclear Information System (INIS)

Beiter, J.; Reissner, M.; Hilscher, G.; Steiner, W.; Pajic, D.; Zadro, K.; Bartel, M.; Linert, W.

2004-01-01

Molecules provide the exciting opportunity to study magnetism on the passage from atomic to macroscopic level. One of the most interesting effects in such mesoscopic systems is the appearance of quantum tunnelling of magnetization (MQT) at low temperatures. In the last decade molecular chemistry has had a large impact in this field by providing new single molecule magnets. They consist of small clusters exhibiting superparamagnetic behavior, similar to that of conventional nanomagnetic particles. The advantage of these new materials is that they form macroscopic samples consisting of regularly arranged small identical high-spin clusters which are widely separated by organic molecules. The lack of distributions in size and shape of the magnetic clusters and the very weak intercluster interaction lead in principle to only one barrier for the spin reversal. We present detailed magnetic investigations on a Mn 12 -ac single crystal. In this compound the tetragonal ordered clusters consist of a central tetrahedron of four Mn 4+ (S = 3/2) atoms surrounded by eight Mn 3+ (S = 2) atoms with antiparallel oriented spins, leading to an overall spin moment of S = 10. In the hysteresis loops nine different jumps at regularly spaced fields are identified in the investigated temperature range (1.5 < T < 3 K). At these fields the relaxation of moment due to thermal activation is superimposed by strong quantum tunnelling. In lowering the temperature the time dependence changes from thermally activated to thermally assisted tunnelling. (author)

Rank distributions: A panoramic macroscopic outlook

Science.gov (United States)

Eliazar, Iddo I.; Cohen, Morrel H.

2014-01-01

This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

The chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1990-01-01

In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. Important insights were obtained from tracer experiments, but the full complexity of plutonium chemistry was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were aqueous solution based, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, it was found that an equilibrium was rapidly established among the four aqueous oxidation states while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element will be reported

Chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1992-01-01

In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. In this paper the work carried out at Berkeley from the spring of 1942 to the summer of 1945 is described briefly. The aqueous chemistry of plutonium is quite remarkable. Important insights were obtained from tracer experiments, but the full complexity was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were based on aqueous solutions, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, an equilibrium was rapidly established among the four aqueous oxidation states, while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element are reported

Quantum equilibria for macroscopic systems

International Nuclear Information System (INIS)

Grib, A; Khrennikov, A; Parfionov, G; Starkov, K

2006-01-01

Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered

Maximum Entropy Methods as the Bridge Between Microscopic and Macroscopic Theory

Science.gov (United States)

Taylor, Jamie M.

2016-09-01

This paper is concerned with an investigation into a function of macroscopic variables known as the singular potential, building on previous work by Ball and Majumdar. The singular potential is a function of the admissible statistical averages of probability distributions on a state space, defined so that it corresponds to the maximum possible entropy given known observed statistical averages, although non-classical entropy-like objective functions will also be considered. First the set of admissible moments must be established, and under the conditions presented in this work the set is open, bounded and convex allowing a description in terms of supporting hyperplanes, which provides estimates on the development of singularities for related probability distributions. Under appropriate conditions it is shown that the singular potential is strictly convex, as differentiable as the microscopic entropy, and blows up uniformly as the macroscopic variable tends to the boundary of the set of admissible moments. Applications of the singular potential are then discussed, and particular consideration will be given to certain free-energy functionals typical in mean-field theory, demonstrating an equivalence between certain microscopic and macroscopic free-energy functionals. This allows statements about L^1-local minimisers of Onsager's free energy to be obtained which cannot be given by two-sided variations, and overcomes the need to ensure local minimisers are bounded away from zero and +∞ before taking L^∞ variations. The analysis also permits the definition of a dual order parameter for which Onsager's free energy allows an explicit representation. Also, the difficulties in approximating the singular potential by everywhere defined functions, in particular by polynomial functions, are addressed, with examples demonstrating the failure of the Taylor approximation to preserve relevant shape properties of the singular potential.

Microscopic and macroscopic bell inequalities

International Nuclear Information System (INIS)

Santos, E.

1984-01-01

The Bell inequalities, being derived for micro-systems, cannot be tested by (macroscopic) experiments without additional assumptions. A macroscopic definition of local realism is proposed which might be the starting point for deriving Bell inequalities testable without auxiliary assumptions. (orig.)

Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to drawing complex phase diagrams

Science.gov (United States)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-05-01

A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional random-walk process in phase space into many separate, one-dimensional random-walk processes in well-defined subspaces. Each of these random walks is constrained to a different set of values of the macroscopic order parameters. When the multivariable density of states is obtained for one set of values of fieldlike model parameters, the density of states for any other values of these parameters can be obtained by a simple transformation of the total system energy. All thermodynamic quantities of the system can then be rapidly calculated at any point in the phase diagram. We demonstrate how to use the multivariable density of states to draw the phase diagram, as well as order-parameter probability distributions at specific phase points, for a model spin-crossover material: an antiferromagnetic Ising model with ferromagnetic long-range interactions. The fieldlike parameters in this model are an effective magnetic field and the strength of the long-range interaction.

Quantum equilibria for macroscopic systems

Energy Technology Data Exchange (ETDEWEB)

Grib, A [Department of Theoretical Physics and Astronomy, Russian State Pedagogical University, St. Petersburg (Russian Federation); Khrennikov, A [Centre for Mathematical Modelling in Physics and Cognitive Sciences Vaexjoe University (Sweden); Parfionov, G [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation); Starkov, K [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation)

2006-06-30

Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered.

Comparison of 2 electrophoretic methods and a wet-chemistry method in the analysis of canine lipoproteins.

Science.gov (United States)

Behling-Kelly, Erica

2016-03-01

The evaluation of lipoprotein metabolism in small animal medicine is hindered by the lack of a gold standard method and paucity of validation data to support the use of automated chemistry methods available in the typical veterinary clinical pathology laboratory. The physical and chemical differences between canine and human lipoproteins draw into question whether the transference of some of these human methodologies for the study of canine lipoproteins is valid. Validation of methodology must go hand in hand with exploratory studies into the diagnostic or prognostic utility of measuring specific lipoproteins in veterinary medicine. The goal of this study was to compare one commercially available wet-chemistry method to manual and automated lipoprotein electrophoresis in the analysis of canine lipoproteins. Canine lipoproteins from 50 dogs were prospectively analyzed by 2 electrophoretic methods, one automated and one manual method, and one wet-chemistry method. Electrophoretic methods identified a higher proportion of low-density lipoproteins than the wet-chemistry method. Automated electrophoresis occasionally failed to identify very low-density lipoproteins. Wet-chemistry methods designed for evaluation of human lipoproteins are insensitive to canine low-density lipoproteins and may not be applicable to the study of canine lipoproteins. Automated electrophoretic methods will likely require significant modifications if they are to be used in the analysis of canine lipoproteins. Studies aimed at determining the impact of a disease state on lipoproteins should thoroughly investigate the selected methodology prior to the onset of the study. © 2016 American Society for Veterinary Clinical Pathology.

Microscopic to macroscopic depletion model development for FORMOSA-P

International Nuclear Information System (INIS)

Noh, J.M.; Turinsky, P.J.; Sarsour, H.N.

1996-01-01

Microscopic depletion has been gaining popularity with regard to employment in reactor core nodal calculations, mainly attributed to the superiority of microscopic depletion in treating spectral history effects during depletion. Another trend is the employment of loading pattern optimization computer codes in support of reload core design. Use of such optimization codes has significantly reduced design efforts to optimize reload core loading patterns associated with increasingly complicated lattice designs. A microscopic depletion model has been developed for the FORMOSA-P pressurized water reactor (PWR) loading pattern optimization code. This was done for both fidelity improvements and to make FORMOSA-P compatible with microscopic-based nuclear design methods. Needless to say, microscopic depletion requires more computational effort compared with macroscopic depletion. This implies that microscopic depletion may be computationally restrictive if employed during the loading pattern optimization calculation because many loading patterns are examined during the course of an optimization search. Therefore, the microscopic depletion model developed here uses combined models of microscopic and macroscopic depletion. This is done by first performing microscopic depletions for a subset of possible loading patterns from which 'collapsed' macroscopic cross sections are obtained. The collapsed macroscopic cross sections inherently incorporate spectral history effects. Subsequently, the optimization calculations are done using the collapsed macroscopic cross sections. Using this approach allows maintenance of microscopic depletion level accuracy without substantial additional computing resources

Macroscopic phase-resetting curves for spiking neural networks

Science.gov (United States)

Dumont, Grégory; Ermentrout, G. Bard; Gutkin, Boris

2017-10-01

The study of brain rhythms is an open-ended, and challenging, subject of interest in neuroscience. One of the best tools for the understanding of oscillations at the single neuron level is the phase-resetting curve (PRC). Synchronization in networks of neurons, effects of noise on the rhythms, effects of transient stimuli on the ongoing rhythmic activity, and many other features can be understood by the PRC. However, most macroscopic brain rhythms are generated by large populations of neurons, and so far it has been unclear how the PRC formulation can be extended to these more common rhythms. In this paper, we describe a framework to determine a macroscopic PRC (mPRC) for a network of spiking excitatory and inhibitory neurons that generate a macroscopic rhythm. We take advantage of a thermodynamic approach combined with a reduction method to simplify the network description to a small number of ordinary differential equations. From this simplified but exact reduction, we can compute the mPRC via the standard adjoint method. Our theoretical findings are illustrated with and supported by numerical simulations of the full spiking network. Notably our mPRC framework allows us to predict the difference between effects of transient inputs to the excitatory versus the inhibitory neurons in the network.

Macroscopic phase-resetting curves for spiking neural networks.

Science.gov (United States)

Dumont, Grégory; Ermentrout, G Bard; Gutkin, Boris

2017-10-01

The study of brain rhythms is an open-ended, and challenging, subject of interest in neuroscience. One of the best tools for the understanding of oscillations at the single neuron level is the phase-resetting curve (PRC). Synchronization in networks of neurons, effects of noise on the rhythms, effects of transient stimuli on the ongoing rhythmic activity, and many other features can be understood by the PRC. However, most macroscopic brain rhythms are generated by large populations of neurons, and so far it has been unclear how the PRC formulation can be extended to these more common rhythms. In this paper, we describe a framework to determine a macroscopic PRC (mPRC) for a network of spiking excitatory and inhibitory neurons that generate a macroscopic rhythm. We take advantage of a thermodynamic approach combined with a reduction method to simplify the network description to a small number of ordinary differential equations. From this simplified but exact reduction, we can compute the mPRC via the standard adjoint method. Our theoretical findings are illustrated with and supported by numerical simulations of the full spiking network. Notably our mPRC framework allows us to predict the difference between effects of transient inputs to the excitatory versus the inhibitory neurons in the network.

A Teaching Method on Basic Chemistry for Freshman : Teaching Method with Pre-test and Post-test

OpenAIRE

立木, 次郎; 武井, 庚二

2003-01-01

This report deals with a teaching method on basic chemistry for freshman. This teaching method contains guidance and instruction to how to understand basic chemistry. Pre-test and post-test have been put into practice each time. Each test was returned to students at class in the following weeks.

[Special impact of supramolecular chemistry on Chinese medicine theories].

Science.gov (United States)

He, Fu-Yuan; Zhou, Yi-Qun; Deng, Kai-Wen; Deng, Jun-Lin; Shi, Ji-Lian; Liu, Wen-Long; Yang, Yan-Tao; Tang, Yu; Liu, Zhi-Gang

2014-04-01

The paper aimed to elucidate the specific impact of supramolecular chemistry on the Chinese medicine theories (CMT) in their modernization, after had summarized up the research status of supramolecular chemistry and analyzed the possible supramolecular forms of Chinese medicine (CM), as well as considered the problems in modernization of CM theories. On comparison of the classical chemistry that delt with chemical bonds among atoms, the supramolecular chemistry was rather concerned with varietes of weak noncovalent bonds intermolecules, and reflected the macro-apparent chemical properties of each molecules, and was the most appropriate chemical theories to explain the CMT and microcosmic materials. The molecules in the human body and Chinese material medica (CMM) formed supramolecules by way of self-assembly, self-organization, self-recognition and self-replication, with themselves or with complexation, composition, chelation, inclusion, neutralization etc. Meridian and Zang-fu viscera in CMT might be a space channel structure continuously consisted of unique molecules cavity that was imprinted with the supramolecularly template inside and outside of cells, through which the molecules in CMM interacted with the meridian and Zang-fu viscera. When small molecules in human body imprinted with macromolecules in meridian and Zang-fu viscera, in other words, they migrated along within imprinting channels of meridian and Zang-fu viscera on behavior of "Qi chromatography" impulsed by the heart beat, finally showed up on macroscopic the anisotropy of tissue and organ, as described namely as visceral manifestation in Chinese medical science. When small molecules in CMM interacted with imprinting channel on meridian and Zang-fu viscera, the natural properties and efficacy regularities of CMM was reflected on macroscopic. Therefore, the special representation forms of basic CMT is based on the macroscopic expression of "Qi chromatography" abided by imprinting effect

Physically-based modeling of the cyclic macroscopic behaviour of metals

International Nuclear Information System (INIS)

Sauzay, M.; Evrard, P.; Steckmeyer, A.; Ferrie, E.

2010-01-01

Grain size seems to have only a minor influence on the cyclic strain strain curves (CSSCs) of metallic polycrystals of medium to high stacking fault energy (SFE). That is why many authors tried to deduce the macroscopic CSSCs curves from the single crystals ones. Either crystals oriented for single slip or crystals oriented for multiple slip could be considered. In addition, a scale transition law should be used (from the grain scale to the macroscopic scale). Authors generally used either the Sachs rule (homogeneous single slip) or the Taylor one (homogeneous plastic strain, multiple slip). But the predicted macroscopic CSSCs do not generally agree with the experimental data for metals and alloys, presenting various SFE values. In order to avoid the choice of a particular scale transition rule, many finite element (FE) computations have been carried out using meshes of polycrystals including more than one hundred grains without texture. This allows the study of the influence of the crystalline constitutive laws on the macroscopic CSSCs. Activation of a secondary slip system in grains oriented for single slip is either allowed or hindered (slip planarity), which affects strongly the macroscopic CSSCs. The more planar the slip, the higher the predicted macroscopic stress amplitudes. If grains oriented for single slip obey slip planarity and two crystalline CSSCs are used (one for single slip grains and one for multiple slip grains), then the predicted macroscopic CSSCs agree well with experimental data provided the SFE is not too low (316L, copper, nickel, aluminium). Finally, the incremental self-consistent Hill-Hutchinson homogenization model is used for predicting CSS curves and partially validated with respect to the curves computed by the FE method. (authors)

Method for accounting for macroscopic heterogeneities in reactor material balance generation in fuel cycle simulations

Energy Technology Data Exchange (ETDEWEB)

Bagdatlioglu, Cem, E-mail: cemb@utexas.edu; Schneider, Erich

2016-06-15

Highlights: • Describes addition of spatially dependent power sharing to a previous methodology. • The methodology is used for calculating the input and output isotopics and burnup. • Generalizes to simulate reactors with strong spatial and flux heterogeneities. • Presents cases where the old approach would not have been sufficient. - Abstract: This paper describes the addition of spatially dependent power sharing to a methodology used for calculating the input and output isotopics and burnup of nuclear reactors within a nuclear fuel cycle simulator. Neutron balance and depletion calculations are carried out using pre-calculated fluence-based libraries. These libraries track the transmutation and neutron economy evolution of unit masses of nuclides available in input fuel. The work presented in the paper generalizes the method to simulate reactors that contain more than one type of fuel as well as strong spatial and flux heterogeneities, for instance breeders with a driver–blanket configuration. To achieve this, spatial flux calculations are used to determine the fluence-dependent relative average fluxes inside macroscopic spatial regions. These fluxes are then used to determine the average power of macroscopic spatial regions as well as to more accurately calculate region-specific transmutation rates. The paper presents several cases where the fluence based approach alone would not have been sufficient to determine results.

Role of stochastic fluctuations in the charge on macroscopic particles in dusty plasmas

International Nuclear Information System (INIS)

Vaulina, O.S.; Nefedov, A.P.; Petrov, O.F.; Khrapak, S.A.

1999-01-01

The currents which charge a macroscopic particle placed in a plasma consist of discrete charges; hence, the charge can undergo random fluctuations about its equilibrium value. These random fluctuations can be described by a simple model which, if the mechanisms for charging of macroscopic particles are known, makes it possible to determine the dependence of the temporal and amplitude characteristics of the fluctuations on the plasma parameters. This model can be used to study the effect of charge fluctuations on the dynamics of the macroscopic particles. The case of so-called plasma-dust crystals (i.e., highly ordered structures which develop because of strong interactions among macroscopic particles) in laboratory gaseous discharge plasmas is considered as an example. The molecular dynamics method shows that, under certain conditions, random fluctuations in the charge can effectively heat a system of macroscopic particles, thereby impeding the ordering process

Low-Achieving Students' Attitudes towards Learning Chemistry and Chemistry Teaching Methods

Science.gov (United States)

Kousa, P.; Kavonius, R.; Aksela, M.

2018-01-01

The aims of this study were to determine low-achieving students' attitudes towards chemistry and how the attitudes differ within a low achieving group. The most preferred teaching methods were also defined. Empirical data (n = 2949) were collected by stratified sampling from fifteen-year-old Finnish lower-secondary school students as part of a…

Bell-inequality tests with macroscopic entangled states of light

Energy Technology Data Exchange (ETDEWEB)

Stobinska, M. [Max Planck Institute for the Science of Light, Erlangen (Germany); Institute for Theoretical Physics II, Erlangen-Nuernberg University, Erlangen (Germany); Sekatski, P.; Gisin, N. [Group of Applied Physics, University of Geneva, Geneva (Switzerland); Buraczewski, A. [Faculty of Electronics and Information Technology, Warsaw University of Technology, Warsaw (Poland); Leuchs, G. [Max Planck Institute for the Science of Light, Erlangen (Germany); Institute for Optics, Information and Photonics, Erlangen-Nuernberg University, Erlangen (Germany)

2011-09-15

Quantum correlations may violate the Bell inequalities. Most experimental schemes confirming this prediction have been realized in all-optical Bell tests suffering from the detection loophole. Experiments which simultaneously close this loophole and the locality loophole are highly desirable and remain challenging. An approach to loophole-free Bell tests is based on amplification of the entangled photons (i.e., on macroscopic entanglement), for which an optical signal should be easy to detect. However, the macroscopic states are partially indistinguishable by classical detectors. An interesting idea to overcome these limitations is to replace the postselection by an appropriate preselection immediately after the amplification. This is in the spirit of state preprocessing revealing hidden nonlocality. Here, we examine one of the possible preselections, but the presented tools can be used for analysis of other schemes. Filtering methods making the macroscopic entanglement useful for Bell tests and quantum protocols are the subject of an intensive study in the field nowadays.

Study of five-dimensional potential-energy surfaces for actinide isotopes by the macroscopic-microscopic method

Science.gov (United States)

Fan, T. S.; Wang, Z. M.; Zhu, X.; Zhu, W. J.; Zhong, C. L.

2017-09-01

In this work, the nuclear potential-energy of the deformed nuclei as a function of shape coordinates is calculated in a five-dimensional (5D) parameter space of the axially symmetric generalized Lawrence shapes, on the basis of the macroscopic-microscopic method. The liquid-drop part of the nuclear energy is calculated according to the Myers-Swiatecki model and the Lublin-Strasbourg-drop (LSD) formula. The Woods-Saxon and the folded-Yukawa potentials for deformed nuclei are used for the shell and pairing corrections of the Strutinsky-type. The pairing corrections are calculated at zero temperature, T, related to the excitation energy. The eigenvalues of Hamiltonians for protons and neutrons are found by expanding the eigen-functions in terms of harmonic-oscillator wave functions of a spheroid. Then the BCS pair is applied on the smeared-out single-particle spectrum. By comparing the results obtained by different models, the most favorable combination of the macroscopic-microscopic model is known as the LSD formula with the folded-Yukawa potential. Potential-energy landscapes for actinide isotopes are investigated based on a grid of more than 4,000,000 deformation points and the heights of static fission barriers are obtained in terms of a double-humped structure on the full 5D parameter space. In order to locate the ground state shapes, saddle points, scission points and optimal fission path on the calculated 5D potential-energy surface, the falling rain algorithm and immersion method are designed and implemented. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

Macroscopic constraints on string unification

International Nuclear Information System (INIS)

Taylor, T.R.

1989-03-01

The comparison of sting theory with experiment requires a huge extrapolation from the microscopic distances, of order of the Planck length, up to the macroscopic laboratory distances. The quantum effects give rise to large corrections to the macroscopic predictions of sting unification. I discus the model-independent constraints on the gravitational sector of string theory due to the inevitable existence of universal Fradkin-Tseytlin dilatons. 9 refs

Plasmonic direct writing lithography with a macroscopical contact probe

Science.gov (United States)

Huang, Yuerong; Liu, Ling; Wang, Changtao; Chen, Weidong; Liu, Yunyue; Li, Ling

2018-05-01

In this work, we design a plasmonic direct writing lithography system with a macroscopical contact probe to achieve nanometer scale spots. The probe with bowtie-shaped aperture array adopts spring hinge and beam deflection method (BDM) to realize near-field lithography. Lithography results show that a macroscopical plasmonic contact probe can achieve a patterning resolution of around 75 nm at 365 nm wavelength, and demonstrate that the lithography system is promising for practical applications due to beyond the diffraction limit, low cost, and simplification of system configuration. CST calculations provide a guide for the design of recording structure and the arrangement of placing polarizer.

Multi-scale multi-physics computational chemistry simulation based on ultra-accelerated quantum chemical molecular dynamics method for structural materials in boiling water reactor

International Nuclear Information System (INIS)

Miyamoto, Akira; Sato, Etsuko; Sato, Ryo; Inaba, Kenji; Hatakeyama, Nozomu

2014-01-01

In collaboration with experimental experts we have reported in the present conference (Hatakeyama, N. et al., “Experiment-integrated multi-scale, multi-physics computational chemistry simulation applied to corrosion behaviour of BWR structural materials”) the results of multi-scale multi-physics computational chemistry simulations applied to the corrosion behaviour of BWR structural materials. In macro-scale, a macroscopic simulator of anode polarization curve was developed to solve the spatially one-dimensional electrochemical equations on the material surface in continuum level in order to understand the corrosion behaviour of typical BWR structural material, SUS304. The experimental anode polarization behaviours of each pure metal were reproduced by fitting all the rates of electrochemical reactions and then the anode polarization curve of SUS304 was calculated by using the same parameters and found to reproduce the experimental behaviour successfully. In meso-scale, a kinetic Monte Carlo (KMC) simulator was applied to an actual-time simulation of the morphological corrosion behaviour under the influence of an applied voltage. In micro-scale, an ultra-accelerated quantum chemical molecular dynamics (UA-QCMD) code was applied to various metallic oxide surfaces of Fe 2 O 3 , Fe 3 O 4 , Cr 2 O 3 modelled as same as water molecules and dissolved metallic ions on the surfaces, then the dissolution and segregation behaviours were successfully simulated dynamically by using UA-QCMD. In this paper we describe details of the multi-scale, multi-physics computational chemistry method especially the UA-QCMD method. This method is approximately 10,000,000 times faster than conventional first-principles molecular dynamics methods based on density-functional theory (DFT), and the accuracy was also validated for various metals and metal oxides compared with DFT results. To assure multi-scale multi-physics computational chemistry simulation based on the UA-QCMD method for

Micromechanical study of macroscopic friction and dissipation in idealised granular materials: the effect of interparticle friction

NARCIS (Netherlands)

Kruyt, Nicolaas P.; Gutkowski, Witold; Rothenburg, L.; Kowalewski, Tomasz A.

2004-01-01

Using Discrete Element Method (DEM) simulations with varying interparticle friction coefficient, the relation between interparticle friction coefficient and macroscopic continuum friction and dissipation is investigated. As expected, macroscopic friction and dilatancy increase with interparticle

Models for universal reduction of macroscopic quantum fluctuations

International Nuclear Information System (INIS)

Diosi, L.

1988-10-01

If quantum mechanics is universal, then macroscopic bodies would, in principle, possess macroscopic quantum fluctuations (MQF) in their positions, orientations, densities etc. Such MQF, however, are not observed in nature. The hypothesis is adopted that the absence of MQF is due to a certain universal mechanism. Gravitational measures were applied for reducing MQF of the mass density. This model leads to classical trajectories in the macroscopic limit of translational motion. For massive objects, unwanted macroscopic superpositions of quantum states will be destroyed within short times. (R.P.) 34 refs

Workshop report on large-scale matrix diagonalization methods in chemistry theory institute

Energy Technology Data Exchange (ETDEWEB)

Bischof, C.H.; Shepard, R.L.; Huss-Lederman, S. [eds.

1996-10-01

The Large-Scale Matrix Diagonalization Methods in Chemistry theory institute brought together 41 computational chemists and numerical analysts. The goal was to understand the needs of the computational chemistry community in problems that utilize matrix diagonalization techniques. This was accomplished by reviewing the current state of the art and looking toward future directions in matrix diagonalization techniques. This institute occurred about 20 years after a related meeting of similar size. During those 20 years the Davidson method continued to dominate the problem of finding a few extremal eigenvalues for many computational chemistry problems. Work on non-diagonally dominant and non-Hermitian problems as well as parallel computing has also brought new methods to bear. The changes and similarities in problems and methods over the past two decades offered an interesting viewpoint for the success in this area. One important area covered by the talks was overviews of the source and nature of the chemistry problems. The numerical analysts were uniformly grateful for the efforts to convey a better understanding of the problems and issues faced in computational chemistry. An important outcome was an understanding of the wide range of eigenproblems encountered in computational chemistry. The workshop covered problems involving self- consistent-field (SCF), configuration interaction (CI), intramolecular vibrational relaxation (IVR), and scattering problems. In atomic structure calculations using the Hartree-Fock method (SCF), the symmetric matrices can range from order hundreds to thousands. These matrices often include large clusters of eigenvalues which can be as much as 25% of the spectrum. However, if Cl methods are also used, the matrix size can be between 10{sup 4} and 10{sup 9} where only one or a few extremal eigenvalues and eigenvectors are needed. Working with very large matrices has lead to the development of

Interpretation of macroscopic quantum phenomena

International Nuclear Information System (INIS)

Baumann, K.

1986-01-01

It is argued that a quantum theory without observer is required for the interpretation of macroscopic quantum tunnelling. Such a theory is obtained by augmenting QED by the actual electric field in the rest system of the universe. An equation of the motion of this field is formulated form which the correct macroscopic behavior of the universe and the validity of the Born interpretation is derived. Care is taken to use mathematically sound concepts only. (Author)

Calcium Isotope Analysis with "Peak Cut" Method on Column Chemistry

Science.gov (United States)

Zhu, H.; Zhang, Z.; Liu, F.; Li, X.

2017-12-01

To eliminate isobaric interferences from elemental and molecular isobars (e.g., 40K+, 48Ti+, 88Sr2+, 24Mg16O+, 27Al16O+) on Ca isotopes during mass determination, samples should be purified through ion-exchange column chemistry before analysis. However, large Ca isotopic fractionation has been observed during column chemistry (Russell and Papanastassiou, 1978; Zhu et al., 2016). Therefore, full recovery during column chemistry is greatly needed, otherwise uncertainties would be caused by poor recovery (Zhu et al., 2016). Generally, matrix effects could be enhanced by full recovery, as other elements might overlap with Ca cut during column chemistry. Matrix effects and full recovery are difficult to balance and both need to be considered for high-precision analysis of stable Ca isotopes. Here, we investigate the influence of poor recovery on δ44/40Ca using TIMS with the double spike technique. The δ44/40Ca values of IAPSO seawater, ML3B-G and BHVO-2 in different Ca subcats (e.g., 0-20, 20-40, 40-60, 60-80, 80-100%) with 20% Ca recovery on column chemistry display limited variation after correction by the 42Ca-43Ca double spike technique with the exponential law. Notably, δ44/40Ca of each Ca subcut is quite consistent with δ44/40Ca of Ca cut with full recovery within error. Our results indicate that the 42Ca-43Ca double spike technique can simultaneously correct both of the Ca isotopic fractionation that occurred during column chemistry and thermal ionization mass spectrometry (TIMS) determination properly, because both of the isotopic fractionation occurred during analysis follow the exponential law well. Therefore, we propose the "peak cut" method on Ca column chemistry for samples with complex matrix effects. Briefly, for samples with low Ca contents, we can add the double spike before column chemistry, and only collect the middle of the Ca eluate and abandon the both sides of Ca eluate that might overlap with other elements (e.g., K, Sr). This method would

Superposition and macroscopic observation

International Nuclear Information System (INIS)

Cartwright, N.D.

1976-01-01

The principle of superposition has long plagued the quantum mechanics of macroscopic bodies. In at least one well-known situation - that of measurement - quantum mechanics predicts a superposition. It is customary to try to reconcile macroscopic reality and quantum mechanics by reducing the superposition to a mixture. To establish consistency with quantum mechanics, values for the apparatus after a measurement are to be distributed in the way predicted by the superposition. The distributions observed, however, are those of the mixture. The statistical predictions of quantum mechanics, it appears, are not borne out by observation in macroscopic situations. It has been shown that, insofar as specific ergodic hypotheses apply to the apparatus after the interaction, the superposition which evolves is experimentally indistinguishable from the corresponding mixture. In this paper an idealized model of the measuring situation is presented in which this consistency can be demonstrated. It includes a simplified version of the measurement solution proposed by Daneri, Loinger, and Prosperi (1962). The model should make clear the kind of statistical evidence required to carry of this approach, and the role of the ergodic hypotheses assumed. (Auth.)

Macroscopic theory of superconductors

International Nuclear Information System (INIS)

Carr, W.J. Jr.

1981-01-01

A macroscopic theory for bulk superconductors is developed in the framework of the theory for other magnetic materials, where ''magnetization'' current is separated from ''free'' current on the basis of scale. This contrasts with the usual separation into equilibrium and nonequilibrium currents. In the present approach magnetization, on a large macroscopic scale, results from the vortex current, while the Meissner current and other surface currents are surface contributions to the Maxwell j. The results are important for the development of thermodynamics in type-II superconductors. The advantage of the description developed here is that magnetization becomes a local concept and its associated magnetic field can be given physical meaning

Visualizing Molecular Chirality in the Organic Chemistry Laboratory Using Cholesteric Liquid Crystals

Science.gov (United States)

Popova, Maia; Bretz, Stacey Lowery; Hartley, C. Scott

2016-01-01

Although stereochemistry is an important topic in second-year undergraduate organic chemistry, there are limited options for laboratory activities that allow direct visualization of macroscopic chiral phenomena. A novel, guided-inquiry experiment was developed that allows students to explore chirality in the context of cholesteric liquid crystals.…

Physico-chemistry of actinides and other radioelements in solutions and at the interfaces

International Nuclear Information System (INIS)

2000-01-01

This document provides the 61 papers (transparencies used during the presentations and posters) presented at the 1999 PRACTIS days, held February 17-18, 2000 in Villeneuve-les-Avignon. The content comprises 9 conferences dealing with 1)simulation of solvation, coordination and liquid-liquid extraction of rare earth and uranyl cations 2)overview on the complexation selectivity of actinides(III) and rare earths(III) by aromatic poly-nitrogenous ligands 3)detection, characterization and interaction between supramolecular aggregates of extractants: macroscopic consequences on the stability and on the macroscopic behaviour 4)chemistry of technetium in reducing medium: application to researches on radioactive waste management 5) separations by pyro-chemistry (CEA program) 6)overview on the Goethite operation 7)use of time-resolved luminescence spectroscopy to the determination of sorption sites at the interfaces 8)dissolution of uranium dioxide in an argillaceous water: results in oxidizing and reducing conditions 9)treatment and storage of radioactive wastes from weapon-grade plutonium production in Russia and other countries. A large part of the conference was devoted to poster sessions on the following topics: physico-chemistry in homogeneous solutions (22 posters), transfer kinetics of actinides and rare earths between liquid phases and separations (9 posters), physico-chemistry of the solid-solution interface (9 posters), simulation and molecular dynamics (5 posters), uranium dioxide and other oxides (1 poster), long-lived fission products (6 posters). (O.M.)

Experimental demonstration of macroscopic quantum coherence in Gaussian states

DEFF Research Database (Denmark)

Marquardt, C.; Andersen, Ulrik Lund; Leuchs, G.

2007-01-01

We witness experimentally the presence of macroscopic coherence in Gaussian quantum states using a recently proposed criterion [E. G. Cavalcanti and M. D. Reid, Phys. Rev. Lett. 97 170405 (2006)]. The macroscopic coherence stems from interference between macroscopically distinct states in phase...

Project-Based Learning in Undergraduate Environmental Chemistry Laboratory: Using EPA Methods to Guide Student Method Development for Pesticide Quantitation

Science.gov (United States)

Davis, Eric J.; Pauls, Steve; Dick, Jonathan

2017-01-01

Presented is a project-based learning (PBL) laboratory approach for an upper-division environmental chemistry or quantitative analysis course. In this work, a combined laboratory class of 11 environmental chemistry students developed a method based on published EPA methods for the extraction of dichlorodiphenyltrichloroethane (DDT) and its…

LEGO-Method--New Strategy for Chemistry Calculation

Science.gov (United States)

Molnar, Jozsef; Molnar-Hamvas, Livia

2011-01-01

The presented strategy of chemistry calculation is based on mole-concept, but it uses only one fundamental relationship of the amounts of substance as a basic panel. The name of LEGO-method comes from the famous toy of LEGO[R] because solving equations by grouping formulas is similar to that. The relations of mole and the molar amounts, as small…

Macroscopic optical response and photonic bands

International Nuclear Information System (INIS)

Pérez-Huerta, J S; Luis Mochán, W; Ortiz, Guillermo P; Mendoza, Bernardo S

2013-01-01

We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well-defined dielectric function. The nature of these dielectric functions is arbitrary, and could correspond to dielectric or conducting, transparent or opaque, absorptive and dispersive materials. The geometry of the particles and the Bravais lattice of the composite are also arbitrary. Our formalism goes beyond the long-wavelength approximation as it fully incorporates retardation effects. We test our formalism through the study of the propagation of electromagnetic waves in two-dimensional photonic crystals made of periodic arrays of cylindrical holes in a dispersionless dielectric host. Our macroscopic theory yields a spatially dispersive macroscopic response which allows the calculation of the full photonic band structure of the system, as well as the characterization of its normal modes, upon substitution into the macroscopic field equations. We can also account approximately for the spatial dispersion through a local magnetic permeability and analyze the resulting dispersion relation, obtaining a region of left handedness. (paper)

Dramatic effect of fluid chemistry on cornstarch suspensions : Linking particle interactions to macroscopic rheology

NARCIS (Netherlands)

Oyarte Galvez, Loreto; de Beer, Sissi; van der Meer, Devaraj; Pons, Adeline

2017-01-01

Suspensions of cornstarch in water exhibit strong dynamic shear-thickening. We show that partly replacing water by ethanol strongly alters the suspension rheology. We perform steady and non-steady rheology measurements combined with atomic force microscopy to investigate the role of fluid chemistry

Physics and Chemistry of Earth Materials

Science.gov (United States)

Navrotsky, Alexandra

1994-11-01

Stressing the fundamental solid state behavior of minerals, and emphasizing both theory and experiment, this text surveys the physics and chemistry of earth materials. The author begins with a systematic tour of crystal chemistry of both simple and complex structures (with completely new structural drawings) and discusses how to obtain structural and thermodynamic information experimentally. Dr. Navrotsky also reviews the quantitative concepts of chemical bonding--band theory, molecular orbit and ionic models. She then covers physical properties and relates microscopic features to macroscopic thermodynamic behavior and treats high pressure phase transitions, amorphous materials and solid state reactions. The author concludes with a look at the interface between mineral physics and materials science. Highly illustrated throughout, this book fills the gap between undergraduate texts and specialized review volumes and is appropriate for students and researchers in earth science and materials science.

Analytical chemistry methods for boron carbide absorber material. [Standard

Energy Technology Data Exchange (ETDEWEB)

DELVIN WL

1977-07-01

This standard provides analytical chemistry methods for the analysis of boron carbide powder and pellets for the following: total C and B, B isotopic composition, soluble C and B, fluoride, chloride, metallic impurities, gas content, water, nitrogen, and oxygen. (DLC)

Global minimum profile error (GMPE) - a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions.

Science.gov (United States)

Duong, Minh V; Nguyen, Hieu T; Mai, Tam V-T; Huynh, Lam K

2018-01-03

Master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) has shown to be a powerful framework for modeling kinetic and dynamic behaviors of a complex gas-phase chemical system on a complicated multiple-species and multiple-channel potential energy surface (PES) for a wide range of temperatures and pressures. Derived from the ME time-resolved species profiles, the macroscopic or phenomenological rate coefficients are essential for many reaction engineering applications including those in combustion and atmospheric chemistry. Therefore, in this study, a least-squares-based approach named Global Minimum Profile Error (GMPE) was proposed and implemented in the MultiSpecies-MultiChannel (MSMC) code (Int. J. Chem. Kinet., 2015, 47, 564) to extract macroscopic rate coefficients for such a complicated system. The capability and limitations of the new approach were discussed in several well-defined test cases.

Laboratory Sequence in Computational Methods for Introductory Chemistry

Science.gov (United States)

Cody, Jason A.; Wiser, Dawn C.

2003-07-01

A four-exercise laboratory sequence for introductory chemistry integrating hands-on, student-centered experience with computer modeling has been designed and implemented. The progression builds from exploration of molecular shapes to intermolecular forces and the impact of those forces on chemical separations made with gas chromatography and distillation. The sequence ends with an exploration of molecular orbitals. The students use the computers as a tool; they build the molecules, submit the calculations, and interpret the results. Because of the construction of the sequence and its placement spanning the semester break, good laboratory notebook practices are reinforced and the continuity of course content and methods between semesters is emphasized. The inclusion of these techniques in the first year of chemistry has had a positive impact on student perceptions and student learning.

Using digital technologies to enhance chemistry students' understanding and representational skills

DEFF Research Database (Denmark)

Hilton, Annette

Abstract Chemistry students need to understand chemistry on molecular, symbolic and macroscopic levels. Students find it difficult to use representations on these three levels to interpret and explain data. One approach is to encourage students to use writing-to-learn strategies in inquiry settings...... to present and interpret their laboratory results. This paper describes findings from a study on the effects on students’ learning outcomes of creating multimodal texts to report on laboratory inquiries. The study involved two senior secondary school chemistry classes (n = 22, n = 27). Both classes completed...... representations to make explanations on the molecular level. Student interviews and classroom video-recordings suggested that using digital resources to create multimodal texts promoted knowledge transformation and hence deeper reflection on the meaning of data and representations. The study has implications...

Analysis and Enhancements of a Prolific Macroscopic Model of Epilepsy

Directory of Open Access Journals (Sweden)

Christopher Fietkiewicz

2016-01-01

Full Text Available Macroscopic models of epilepsy can deliver surprisingly realistic EEG simulations. In the present study, a prolific series of models is evaluated with regard to theoretical and computational concerns, and enhancements are developed. Specifically, we analyze three aspects of the models: (1 Using dynamical systems analysis, we demonstrate and explain the presence of direct current potentials in the simulated EEG that were previously undocumented. (2 We explain how the system was not ideally formulated for numerical integration of stochastic differential equations. A reformulated system is developed to support proper methodology. (3 We explain an unreported contradiction in the published model specification regarding the use of a mathematical reduction method. We then use the method to reduce the number of equations and further improve the computational efficiency. The intent of our critique is to enhance the evolution of macroscopic modeling of epilepsy and assist others who wish to explore this exciting class of models further.

Macroscopic Optomechanically Induced Transparency

Science.gov (United States)

Pate, Jacob; Castelli, Alessandro; Martinez, Luis; Thompson, Johnathon; Chiao, Ray; Sharping, Jay

Optomechanically induced transparency (OMIT) is an effect wherein the spectrum of a cavity resonance is modified through interference between coupled excitation pathways. In this work we investigate a macroscopic, 3D microwave, superconducting radio frequency (SRF) cavity incorporating a niobium-coated, silicon-nitride membrane as the flexible boundary. The boundary supports acoustic vibrational resonances, which lead to coupling with the microwave resonances of the SRF cavity. The theoretical development and physical understanding of OMIT for our macroscopic SRF cavity is the same as that for other recently-reported OMIT systems despite vastly different optomechanical coupling factors and device sizes. Our mechanical oscillator has a coupling factor of g0 = 2 π . 1 ×10-5 Hz and is roughly 38 mm in diameter. The Q = 5 ×107 for the SRF cavity allows probing of optomechanical effects in the resolved sideband regime.

Colloid and interface chemistry for nanotechnology

CERN Document Server

Kralchevsky, Peter; Ravera, Francesca

2016-01-01

Colloid and interface science dealt with nanoscale objects for nearly a century before the term nanotechnology was coined. An interdisciplinary field, it bridges the macroscopic world and the small world of atoms and molecules. Colloid and Interface Chemistry for Nanotechnology is a collection of manuscripts reflecting the activities of research teams that have been involved in the networking project Colloid and Interface Chemistry for Nanotechnology (2006-2011), Action D43, the European Science Foundation. The project was a part of the intergovernmental framework for Cooperation in Science and Technology (COST), allowing the coordination of nationally funded research across Europe. With contributions by leading experts, this book covers a wide range of topics. Chapters are grouped into three sections: "Nanoparticle Synthesis and Characterization," "New Experimental Tools and Interpretation," and "Nanocolloidal Dispersions and Interfaces." The topics covered belong to six basic research areas: (1) The synthes...

Elasticity-dependent fast underwater adhesion demonstrated by macroscopic supramolecular assembly.

Science.gov (United States)

Ju, Guannan; Cheng, Mengjiao; Guo, Fengli; Zhang, Qian; Shi, Feng

2018-05-30

Macroscopic supramolecular assembly (MSA) is a recent progress in supramolecular chemistry to associate visible building blocks through non-covalent interactions in a multivalent manner. Although various substrates (e. g. hydrogels, rigid materials) have been used, a general design rule of building blocks in MSA systems and interpretation of the assembly mechanism are still lacking and urgently in demand. Here we design three model systems with varied modulus and correlated the MSA probability with the elasticity. Based on the effects of substrate deformability on multivalency, we have proposed an elastic-modulus-dependent rule that building blocks below a critical modulus of 2.5 MPa can achieve MSA for the used host/guest system. Moreover, this MSA rule applies well to the design of materials applicable for fast underwater adhesion: Soft substrates (0.5 MPa) can achieve underwater adhesion within 10 s with one magnitude higher strength than that of rigid substrates (2.5 MPa). © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Macroscopic averages in Qed in material media

International Nuclear Information System (INIS)

Dutra, S.M.; Furuya, K.

1997-01-01

The starting point of macroscopic theories of quantum electrodynamics in material media is usually the classical macroscopic Maxwell equations that are then quantized. Such approach however, is based on the assumption that a macroscopic description is attainable, i.e., it assumes that we can describe the effect of the atoms of material on the field only in terms of a dielectric constant in the regime where the field has to be treated quantum mechanically. The problem we address is whether this assumption is valid at all and if so, under what conditions. We have chosen a simple model, which allows us to start from first principles and determine the validity of these approximations, without simply taking them for granted as in previous papers

An Analysis of Prospective Chemistry Teachers' Cognitive Structures through Flow Map Method: The Subject of Oxidation and Reduction

Science.gov (United States)

Temel, Senar

2016-01-01

This study aims to analyse prospective chemistry teachers' cognitive structures related to the subject of oxidation and reduction through a flow map method. Purposeful sampling method was employed in this study, and 8 prospective chemistry teachers from a group of students who had taken general chemistry and analytical chemistry courses were…

Dynamical fusion thresholds in macroscopic and microscopic theories

International Nuclear Information System (INIS)

Davies, K.T.R.; Sierk, A.J.; Nix, J.R.

1983-01-01

Macroscopic and microscopic results demonstrating the existence of dynamical fusion thresholds are presented. For macroscopic theories, it is shown that the extra-push dynamics is sensitive to some details of the models used, e.g. the shape parametrization and the type of viscosity. The dependence of the effect upon the charge and angular momentum of the system is also studied. Calculated macroscopic results for mass-symmetric systems are compared to experimental mass-asymmetric results by use of a tentative scaling procedure, which takes into account both the entrance-channel and the saddle-point regions of configuration space. Two types of dynamical fusion thresholds occur in TDHF studies: (1) the microscopic analogue of the macroscopic extra push threshold, and (2) the relatively high energy at which the TDHF angular momentum window opens. Both of these microscopic thresholds are found to be very sensitive to the choice of the effective two-body interaction

Obtaining macroscopic quantities for the contact line problem from Density Functional Theory using asymptotic methods

Science.gov (United States)

Sibley, David; Nold, Andreas; Kalliadasis, Serafim

2015-11-01

Density Functional Theory (DFT), a statistical mechanics of fluids approach, captures microscopic details of the fluid density structure in the vicinity of contact lines, as seen in computations in our recent study. Contact lines describe the location where interfaces between two fluids meet solid substrates, and have stimulated a wealth of research due to both their ubiquity in nature and technological applications and also due to their rich multiscale behaviour. Whilst progress can be made computationally to capture the microscopic to mesoscopic structure from DFT, complete analytical results to fully bridge to the macroscale are lacking. In this work, we describe our efforts to bring asymptotic methods to DFT to obtain results for contact angles and other macroscopic quantities in various parameter regimes. We acknowledge financial support from European Research Council via Advanced Grant No. 247031.

Multidisciplinary research in space sciences and engineering with emphasis on theoretical chemistry

Science.gov (United States)

Hirschfelder, J. O.; Curtiss, C. F.

1974-01-01

A broad program is reported of research in theoretical chemistry, particularly in molecular quantum and statistical mechanics, directed toward determination of the physical and chemical properties of materials, relation of these macroscopic properties to properties of individual molecules, and determination of the structure and properties of the individual molecules. Abstracts are presented for each research project conducted during the course of the program.

Single-Phase Bundle Flows Including Macroscopic Turbulence Model

Energy Technology Data Exchange (ETDEWEB)

Lee, Seung Jun; Yoon, Han Young [KAERI, Daejeon (Korea, Republic of); Yoon, Seok Jong; Cho, Hyoung Kyu [Seoul National University, Seoul (Korea, Republic of)

2016-05-15

To deal with various thermal hydraulic phenomena due to rapid change of fluid properties when an accident happens, securing mechanistic approaches as much as possible may reduce the uncertainty arising from improper applications of the experimental models. In this study, the turbulence mixing model, which is well defined in the subchannel analysis code such as VIPRE, COBRA, and MATRA by experiments, is replaced by a macroscopic k-e turbulence model, which represents the aspect of mathematical derivation. The performance of CUPID with macroscopic turbulence model is validated against several bundle experiments: CNEN 4x4 and PNL 7x7 rod bundle tests. In this study, the macroscopic k-e model has been validated for the application to subchannel analysis. It has been implemented in the CUPID code and validated against CNEN 4x4 and PNL 7x7 rod bundle tests. The results showed that the macroscopic k-e turbulence model can estimate the experiments properly.

A method for conversion of Hounsfield number to electron density and prediction of macroscopic pair production cross-sections

International Nuclear Information System (INIS)

Knoeoes, T.; Nilsson, M.; Ahlgren, L.

1986-01-01

A method for the determination of electron density using a narrow beam attenuation geometry is described. The method does not require that the elemental composition of the phantom materials is known. The Hounsfield numbers for the phantom materials used were determined using five different CT scanners. A relationship between Hounsfield number and electron density can thus be established, which is of considerable value in radiation therapy treatment planning procedures. Measurements of the ratio coherent/incoherent scattering of low energy photons in a certain geometry has proven valuable for determination of atomic number, which in its turn can be used for estimation of macroscopic pair production coefficients for high energy photons. The combination of knowledge of electron density with methods for determination of processes, dependent on atomic number, can form a base for adequate composition of phantom materials for purposes of testing dose calculation algorithms for photons and electrons. (orig.)

Macroscopic magnetic Self assembly

NARCIS (Netherlands)

Löthman, Per Arvid

2018-01-01

Exploring the macroscopic scale's similarities to the microscale is part and parcel of this thesis as reflected in the research question: what can we learn about the microscopic scale by studying the macroscale? Investigations of the environment in which the self-assembly takes place, and the

XIX Mendeleev Congress on general and applied chemistry. Abstract book in 4 volumes. Volume 4. Chemistry aspects of modern energy and alternative energy resources. Chemistry of fossil and renewable hydrocarbon raw materials. Analytical chemistry: novel methods and devices for chemical research and analysis. Chemical education

International Nuclear Information System (INIS)

2011-01-01

The abstracts of the XIX Mendeleev Congress on general and applied chemistry held 25-30 September 2011 in Volgograd are presented. The program includes the Congress plenary and section reports, poster presentations, symposia and round tables on key areas of chemical science and technology, and chemical education. The work of the Congress was held the following sections: 1. Fundamental problems of chemical sciences; 2. Chemistry and technology of materials, including nanomaterials; 3. Physicochemical basis of metallurgical processes; 4. Current issues of chemical production, technical risk assessment; 5. Chemical aspects of modern power and alternative energy sources; 6. Chemistry of fossil and renewable hydrocarbons; 7. Analytical chemistry: new methods and instruments for chemical research and analysis; 8. Chemical education. Volume 4 includes abstracts of oral and poster presentations and presentations of correspondent participants of the sections: Chemistry aspects of modern energy and alternative energy resources; Chemistry of fossil and renewable hydrocarbon raw materials; Analytical chemistry: novel methods and devices for chemical research and analysis; Chemical education, and author index [ru

Preparation of rock samples for measurement of the thermal neutron macroscopic absorption cross-section

International Nuclear Information System (INIS)

Czubek, J.A.; Burda, J.; Drozdowicz, K.; Igielski, A.; Kowalik, W.; Krynicka-Drozdowicz, E.; Woznicka, U.

1986-03-01

Preparation of rock samples for the measurement of the thermal neutron macroscopic absorption cross-section in small cylindrical two-region systems by a pulsed technique is presented. Requirements which should be fulfilled during the preparation of the samples due to physical assumptions of the method are given. A cylindrical vessel is filled with crushed rock and saturated with a medium strongly absorbing thermal neutrons. Water solutions of boric acid of well-known macroscopic absorption cross-section are used. Mass contributions of the components in the sample are specified. This is necessary for the calculation of the thermal neutron macroscopic absorption cross-section of the rock matrix. The conditions necessary for assuring the required accuracy of the measurement are given and the detailed procedure of preparation of the rock sample is described. (author)

Macroscopic effects in attosecond pulse generation

International Nuclear Information System (INIS)

Ruchon, T; Varju, K; Mansten, E; Swoboda, M; L'Huillier, A; Hauri, C P; Lopez-Martens, R

2008-01-01

We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium

Macroscopic effects in attosecond pulse generation

Energy Technology Data Exchange (ETDEWEB)

Ruchon, T; Varju, K; Mansten, E; Swoboda, M; L' Huillier, A [Department of Physics, Lund University, PO Box 118, SE-221 00 Lund (Sweden); Hauri, C P; Lopez-Martens, R [Laboratoire d' Optique Appliquee, Ecole Nationale Superieure des Techniques Avancees (ENSTA)-Ecole Polytechnique CNRS UMR 7639, 91761 Palaiseau (France)], E-mail: anne.lhuillier@fysik.lth.se

2008-02-15

We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium.

Decoherence bypass of macroscopic superpositions in quantum measurement

International Nuclear Information System (INIS)

Spehner, Dominique; Haake, Fritz

2008-01-01

We study a class of quantum measurement models. A microscopic object is entangled with a macroscopic pointer such that a distinct pointer position is tied to each eigenvalue of the measured object observable. Those different pointer positions mutually decohere under the influence of an environment. Overcoming limitations of previous approaches we (i) cope with initial correlations between pointer and environment by considering them initially in a metastable local thermal equilibrium, (ii) allow for object-pointer entanglement and environment-induced decoherence of distinct pointer readouts to proceed simultaneously, such that mixtures of macroscopically distinct object-pointer product states arise without intervening macroscopic superpositions, and (iii) go beyond the Markovian treatment of decoherence. (fast track communication)

Virtual Laboratory in the Role of Dynamic Visualisation for Better Understanding of Chemistry in Primary School

Science.gov (United States)

Herga, Nataša Rizman; Cagran, Branka; Dinevski, Dejan

2016-01-01

Understanding chemistry includes the ability to think on three levels: the macroscopic level, the symbolic level, and the level of particles--sub-microscopic level. Pupils have the most difficulty when trying to understand the sub-microscopic level because it is outside their range of experience. A virtual laboratory enables a simultaneous…

Nonequilibrium work relation in a macroscopic system

International Nuclear Information System (INIS)

Sughiyama, Yuki; Ohzeki, Masayuki

2013-01-01

We reconsider a well-known relationship between the fluctuation theorem and the second law of thermodynamics by evaluating stochastic evolution of the density field (probability measure valued process). In order to establish a bridge between microscopic and macroscopic behaviors, we must take the thermodynamic limit of a stochastic dynamical system following the standard procedure in statistical mechanics. The thermodynamic path characterizing a dynamical behavior in the macroscopic scale can be formulated as an infimum of the action functional for the stochastic evolution of the density field. In our formulation, the second law of thermodynamics can be derived only by symmetry of the action functional without recourse to the Jarzynski equality. Our formulation leads to a nontrivial nonequilibrium work relation for metastable (quasi-stationary) states, which are peculiar in the macroscopic system. We propose a prescription for computing the free energy for metastable states based on the resultant work relation. (paper)

Estimating minimum polycrystalline aggregate size for macroscopic material homogeneity

International Nuclear Information System (INIS)

Kovac, M.; Simonovski, I.; Cizelj, L.

2002-01-01

During severe accidents the pressure boundary of reactor coolant system can be subjected to extreme loadings, which might cause failure. Reliable estimation of the extreme deformations can be crucial to determine the consequences of severe accidents. Important drawback of classical continuum mechanics is idealization of inhomogenous microstructure of materials. Classical continuum mechanics therefore cannot predict accurately the differences between measured responses of specimens, which are different in size but geometrical similar (size effect). A numerical approach, which models elastic-plastic behavior on mesoscopic level, is proposed to estimate minimum size of polycrystalline aggregate above which it can be considered macroscopically homogeneous. The main idea is to divide continuum into a set of sub-continua. Analysis of macroscopic element is divided into modeling the random grain structure (using Voronoi tessellation and random orientation of crystal lattice) and calculation of strain/stress field. Finite element method is used to obtain numerical solutions of strain and stress fields. The analysis is limited to 2D models.(author)

Macroscopic relationship in primal-dual portfolio optimization problem

Science.gov (United States)

Shinzato, Takashi

2018-02-01

In the present paper, using a replica analysis, we examine the portfolio optimization problem handled in previous work and discuss the minimization of investment risk under constraints of budget and expected return for the case that the distribution of the hyperparameters of the mean and variance of the return rate of each asset are not limited to a specific probability family. Findings derived using our proposed method are compared with those in previous work to verify the effectiveness of our proposed method. Further, we derive a Pythagorean theorem of the Sharpe ratio and macroscopic relations of opportunity loss. Using numerical experiments, the effectiveness of our proposed method is demonstrated for a specific situation.

Pathways toward understanding Macroscopic Quantum Phenomena

International Nuclear Information System (INIS)

Hu, B L; Subaşi, Y

2013-01-01

Macroscopic quantum phenomena refer to quantum features in objects of 'large' sizes, systems with many components or degrees of freedom, organized in some ways where they can be identified as macroscopic objects. This emerging field is ushered in by several categories of definitive experiments in superconductivity, electromechanical systems, Bose-Einstein condensates and others. Yet this new field which is rich in open issues at the foundation of quantum and statistical physics remains little explored theoretically (with the important exception of the work of A J Leggett [1], while touched upon or implied by several groups of authors represented in this conference. Our attitude differs in that we believe in the full validity of quantum mechanics stretching from the testable micro to meso scales, with no need for the introduction of new laws of physics.) This talk summarizes our thoughts in attempting a systematic investigation into some key foundational issues of quantum macroscopic phenomena, with the goal of ultimately revealing or building a viable theoretical framework. Three major themes discussed in three intended essays are the large N expansion [2], the correlation hierarchy [3] and quantum entanglement [4]. We give a sketch of the first two themes and then discuss several key issues in the consideration of macro and quantum, namely, a) recognition that there exist many levels of structure in a composite body and only by judicious choice of an appropriate set of collective variables can one give the best description of the dynamics of a specific level of structure. Capturing the quantum features of a macroscopic object is greatly facilitated by the existence and functioning of these collective variables; b) quantum entanglement, an exclusively quantum feature [5], is known to persist to high temperatures [6] and large scales [7] under certain conditions, and may actually decrease with increased connectivity in a quantum network [8]. We use entanglement as a

Scaffolding students’ reflective dialogues in the chemistry lab: challenging the cookbook

DEFF Research Database (Denmark)

Nielsen, Birgitte Lund; Hougaard, Rikke Frøhlich

The paper reports on a cross-case analysis comparing students’ activities and dialogue during BA level laboratory exercises, applying a mixed methods research design with video-data, student questionnaires and interviews. Our analysis identified specific affordances in relation to macro and micro......-scaffolding of students’ activities and dialogues, in order to stimulate them to work at higher cognitive levels. A specific lab-exercise in the course Macroscopic Physical Chemistry was redesigned with the aim of stimulating students’ metacognition both before and during the experimental work. The redesign included......-student dialogue on course content. Furthermore, dialogues between students and teaching assistant revealed elements of micro-scaffolding exploratory talk and a dialogic approach with open questions and prompts. The students expressed that the preparatory assignments and the dialogue with the teaching assistant...

Metformin: A Review of Characteristics, Properties, Analytical Methods and Impact in the Green Chemistry.

Science.gov (United States)

da Trindade, Mariana Teixeira; Kogawa, Ana Carolina; Salgado, Hérida Regina Nunes

2018-01-02

Diabetes mellitus (DM) is considered a public health problem. The initial treatment consists of improving the lifestyle and making changes in the diet. When these changes are not enough, the use of medication becomes necessary. The metformin aims to reduce the hepatic production of glucose and is the preferred treatment for type 2. The objective is to survey the characteristics and properties of metformin, as well as hold a discussion on the existing analytical methods to green chemistry and their impacts for both the operator and the environment. For the survey, data searches were conducted by scientific papers in the literature as well as in official compendium. The characteristics and properties are shown, also, methods using liquid chromatography techniques, titration, absorption spectrophotometry in the ultraviolet and the infrared region. Most of the methods presented are not green chemistry oriented. It is necessary the awareness of everyone involved in the optimization of the methods applied through the implementation of green chemistry to determine the metformin.

Macroscopic nonclassical-state preparation via postselection

Science.gov (United States)

Montenegro, Víctor; Coto, Raúl; Eremeev, Vitalie; Orszag, Miguel

2017-11-01

Macroscopic quantum superposition states are fundamental to test the classical-quantum boundary and present suitable candidates for quantum technologies. Although the preparation of such states has already been realized, the existing setups commonly consider external driving and resonant interactions, predominantly by considering Jaynes-Cummings-like and beam-splitter-like interactions, as well as the nonlinear radiation pressure interaction in cavity optomechanics. In contrast to previous works on the matter, we propose a feasible probabilistic scheme to generate a macroscopic mechanical qubit, as well as phononic Schrödinger's cat states with no need of any energy exchange with the macroscopic mechanical oscillator. Essentially, we investigate an open dispersive spin-mechanical system in the absence of any external driving under nonideal conditions, such as the detrimental effects due to the oscillator and spin energy losses in a thermal bath at nonzero temperature. In our work, we show that the procedure to generate the mechanical qubit state is solely based on spin postselection in the weak to moderate coupling regime. Finally, we demonstrate that the mechanical superposition is related to the amplification of the mean values of the mechanical quadratures as they maximize the quantum coherence.

Scanner-based macroscopic color variation estimation

Science.gov (United States)

Kuo, Chunghui; Lai, Di; Zeise, Eric

2006-01-01

Flatbed scanners have been adopted successfully in the measurement of microscopic image artifacts, such as granularity and mottle, in print samples because of their capability of providing full color, high resolution images. Accurate macroscopic color measurement relies on the use of colorimeters or spectrophotometers to provide a surrogate for human vision. The very different color response characteristics of flatbed scanners from any standard colorimetric response limits the utility of a flatbed scanner as a macroscopic color measuring device. This metamerism constraint can be significantly relaxed if our objective is mainly to quantify the color variations within a printed page or between pages where a small bias in measured colors can be tolerated as long as the color distributions relative to the individual mean values is similar. Two scenarios when converting color from the device RGB color space to a standardized color space such as CIELab are studied in this paper, blind and semi-blind color transformation, depending on the availability of the black channel information. We will show that both approaches offer satisfactory results in quantifying macroscopic color variation across pages while the semi-blind color transformation further provides fairly accurate color prediction capability.

Classical behaviour of macroscopic bodies and quantum measurements

International Nuclear Information System (INIS)

Ghirardi, G.; Rimini, A.; Weber, T.

1986-01-01

This report describes a recent attempt of giving a consistent and unified description of microscopic and macroscopic phenomena. The model presented in this paper exhibits the nice features of leaving unaltered the quantum description of microsystems and of accounting for the classical behaviour of the macroscopic objects when their dynamical evolution is consistently deduced from the dynamics of their elementary constituents

Assessments of macroscopicity for quantum optical states

DEFF Research Database (Denmark)

Laghaout, Amine; Neergaard-Nielsen, Jonas Schou; Andersen, Ulrik Lund

2015-01-01

With the slow but constant progress in the coherent control of quantum systems, it is now possible to create large quantum superpositions. There has therefore been an increased interest in quantifying any claims of macroscopicity. We attempt here to motivate three criteria which we believe should...... enter in the assessment of macroscopic quantumness: The number of quantum fluctuation photons, the purity of the states, and the ease with which the branches making up the state can be distinguished. © 2014....

Biocoordination chemistry. pH-metry titration method during study of biometal complexing with bioligands

International Nuclear Information System (INIS)

Dobrynina, N.A.

1992-01-01

Position of bioinorganic chemistry in the system of naturl science, as well as relations between bioinorganic and biocoordination chemistry, were considered. The content of chemical elements in geosphere and biosphere was analyzed. Characteristic features of biometal complexing with bioligands were pointed out. By way of example complex equilibria in solution were studie by the method of pH-metric titration using mathematical simulation. Advantages of the methods totality, when studying biosystems, were emphasized

Conversion of light into macroscopic helical motion

Science.gov (United States)

Iamsaard, Supitchaya; Aßhoff, Sarah J.; Matt, Benjamin; Kudernac, Tibor; Cornelissen, Jeroen J. L. M.; Fletcher, Stephen P.; Katsonis, Nathalie

2014-03-01

A key goal of nanotechnology is the development of artificial machines capable of converting molecular movement into macroscopic work. Although conversion of light into shape changes has been reported and compared to artificial muscles, real applications require work against an external load. Here, we describe the design, synthesis and operation of spring-like materials capable of converting light energy into mechanical work at the macroscopic scale. These versatile materials consist of molecular switches embedded in liquid-crystalline polymer springs. In these springs, molecular movement is converted and amplified into controlled and reversible twisting motions. The springs display complex motion, which includes winding, unwinding and helix inversion, as dictated by their initial shape. Importantly, they can produce work by moving a macroscopic object and mimicking mechanical movements, such as those used by plant tendrils to help the plant access sunlight. These functional materials have potential applications in micromechanical systems, soft robotics and artificial muscles.

Atherosclerosis in Watanabe heritable hyperlipidaemic rabbits. Evaluation by macroscopic, microscopic and biochemical methods and comparison of atherosclerosis variables

DEFF Research Database (Denmark)

Hansen, B F; Mortensen, A; Hansen, J F

1994-01-01

estimation of aortic atherosclerosis extent and by biochemical analysis of aortic cholesterol content. No noteworthy atherosclerosis was demonstrated within 19 months in heterozygous rabbits. In homozygous rabbits, atherosclerotic lesions were seen from the age of 4 months and progressed with age. All 19......-month-old rabbits had severe atherosclerotic disease. As much as 64% of the variation in atherosclerosis extent/severity could be explained by serum cholesterol and age. A highly significant correlation between the various methods for quantitation of atherosclerosis extent and/or severity...... was demonstrated, suggesting that quantitative microscopy, macroscopic morphometry and determination of aortic cholesterol content may be equally valid as a measure of atherosclerosis in WHHL rabbits and are therefore interchangeable....

Prediction of macroscopic and local stress-strain behaviors of perforated plates under primary and secondary creep conditions

International Nuclear Information System (INIS)

Igari, Toshihide; Tokiyoshi, Takumi; Mizokami, Yorikata

2000-01-01

Prediction methods of macroscopic and local creep behaviors of perforated plates are examined in order to apply these methods to the structural design of perforated structures such as heat exchangers used in elevated temperatures. Both primary and secondary creeps are considered for predicting macroscopic and local creep behaviors of perorated plates which are made of actual structural materials. Both uniaxial and multiaxial loading of perforated plates are taken into consideration. The concept of effective stress is applied to the prediction of macroscopic creep behaviors of perforated plates, and the predicted results are compared with the numerical results by FEM for the unit section of perorated plated under creep, in order to confirm the propriety of the proposed method. Based on the idea that stress exponents in creep equations govern the stress distribution of perforated plates, a modified Neuber's rule is used for predicting local stress and strain concentrations. The propriety of this prediction method is shown through a comparison of the prediction with the numerical results by FEM for the unit section of perforated plates under creep, and experimental results by the Moire method. (author)

Structured pathology reporting improves the macroscopic assessment of rectal tumour resection specimens.

Science.gov (United States)

King, Simon; Dimech, Margaret; Johnstone, Susan

2016-06-01

We examined whether introduction of a structured macroscopic reporting template for rectal tumour resection specimens improved the completeness and efficiency in collecting key macroscopic data elements. Fifty free text (narrative) macroscopic reports retrieved from 2012 to 2014 were compared with 50 structured macroscopic reports from 2013 to 2015, all of which were generated at John Hunter Hospital, Newcastle, NSW. The six standard macroscopic data elements examined in this study were reported in all 50 anatomical pathology reports using a structured macroscopic reporting dictation template. Free text reports demonstrated significantly impaired data collection when recording intactness of mesorectum (p<0.001), relationship to anterior peritoneal reflection (p=0.028) and distance of tumour to the non-peritonealised circumferential margin (p<0.001). The number of words used was also significantly (p<0.001) reduced using pre-formatted structured reports compared to free text reports. The introduction of a structured reporting dictation template improves data collection and may reduce the subsequent administrative burden when macroscopically evaluating rectal resections. Copyright © 2016 Royal College of Pathologists of Australasia. Published by Elsevier B.V. All rights reserved.

Superconductivity and macroscopic quantum phenomena

International Nuclear Information System (INIS)

Rogovin, D.; Scully, M.

1976-01-01

It is often asserted that superconducting systems are manifestations of quantum mechanics on a macroscopic scale. In this review article it is demonstrated that this quantum assertion is true within the framework of the microscopic theory of superconductivity. (Auth.)

Thai Undergraduate Chemistry Practical Learning Experiences Using the Jigsaw IV Method

Science.gov (United States)

Jansoon, Ninna; Somsook, Ekasith; Coll, Richard K.

2008-01-01

The research reported in this study consisted of an investigation of student learning experiences in Thai chemistry laboratories using the Jigsaw IV method. A hands-on experiment based on the Jigsaw IV method using a real life example based on green tea beverage was designed to improve student affective variables for studying topics related to…

Macroscopic quantum tunnelling in a current biased Josephson junction

International Nuclear Information System (INIS)

Martinis, J.M.; Devoret, M.H.; Clarke, J.; Urbina, C.

1984-11-01

We discuss in this work an attempt to answer experimentally the question: do macroscopic variables obey quantum mechanics. More precisely, this experiment deals with the question of quantum-mechanical tunnelling of a macroscopic variable, a subject related to the famous Schrodinger's cat problem in the theory of measurement

Macroscopic Quantum Resonators (MAQRO): 2015 update

International Nuclear Information System (INIS)

Kaltenbaek, Rainer; Aspelmeyer, Markus; Kiesel, Nikolai; Barker, Peter F.; Bose, Sougato; Bassi, Angelo; Bateman, James; Bongs, Kai; Cruise, Adrian Michael; Braxmaier, Claus; Brukner, Caslav; Christophe, Bruno; Rodrigues, Manuel; Chwalla, Michael; Johann, Ulrich; Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge; Curceanu, Catalina; Dholakia, Kishan; Mazilu, Michael; Diosi, Lajos; Doeringshoff, Klaus; Peters, Achim; Ertmer, Wolfgang; Rasel, Ernst M.; Gieseler, Jan; Novotny, Lukas; Rondin, Loic; Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus; Hechenblaikner, Gerald; Hossenfelder, Sabine; Kim, Myungshik; Milburn, Gerard J.; Mueller, Holger; Paternostro, Mauro; Pikovski, Igor; Pilan Zanoni, Andre; Riedel, Charles Jess; Roura, Albert; Schleich, Wolfgang P.; Schmiedmayer, Joerg; Schuldt, Thilo; Schwab, Keith C.; Tajmar, Martin; Tino, Guglielmo M.; Ulbricht, Hendrik; Ursin, Rupert; Vedral, Vlatko

2016-01-01

Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)

Macroscopic Quantum Resonators (MAQRO): 2015 update

Energy Technology Data Exchange (ETDEWEB)

Kaltenbaek, Rainer [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Aspelmeyer, Markus; Kiesel, Nikolai [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Barker, Peter F.; Bose, Sougato [University College London, Department of Physics and Astronomy, London (United Kingdom); Bassi, Angelo [University of Trieste, Department of Physics, Trieste (Italy); INFN - Trieste Section, Trieste (Italy); Bateman, James [University of Swansea, Department of Physics, College of Science, Swansea (United Kingdom); Bongs, Kai; Cruise, Adrian Michael [University of Birmingham, School of Physics and Astronomy, Birmingham (United Kingdom); Braxmaier, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Brukner, Caslav [University of Vienna, Vienna Center for Quantum Science and Technology, Vienna (Austria); Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Christophe, Bruno; Rodrigues, Manuel [The French Aerospace Lab, ONERA, Chatillon (France); Chwalla, Michael; Johann, Ulrich [Airbus Defence and Space GmbH, Immenstaad (Germany); Cohadon, Pierre-Francois; Heidmann, Antoine; Lambrecht, Astrid; Reynaud, Serge [ENS-PSL Research University, Laboratoire Kastler Brossel, UPMC-Sorbonne Universites, CNRS, College de France, Paris (France); Curceanu, Catalina [Laboratori Nazionali di Frascati dell' INFN, Frascati (Italy); Dholakia, Kishan; Mazilu, Michael [University of St. Andrews, School of Physics and Astronomy, St. Andrews (United Kingdom); Diosi, Lajos [Wigner Research Center for Physics, P.O. Box 49, Budapest (Hungary); Doeringshoff, Klaus; Peters, Achim [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Ertmer, Wolfgang; Rasel, Ernst M. [Leibniz Universitaet Hannover, Institut fuer Quantenoptik, Hannover (Germany); Gieseler, Jan; Novotny, Lukas; Rondin, Loic [ETH Zuerich, Photonics Laboratory, Zuerich (Switzerland); Guerlebeck, Norman; Herrmann, Sven; Laemmerzahl, Claus [University of Bremen, Center of Applied Space Technology and Micro Gravity (ZARM), Bremen (Germany); Hechenblaikner, Gerald [Airbus Defence and Space GmbH, Immenstaad (Germany); European Southern Observatory (ESO), Garching bei Muenchen (Germany); Hossenfelder, Sabine [KTH Royal Institute of Technology and Stockholm University, Nordita, Stockholm (Sweden); Kim, Myungshik [Imperial College London, QOLS, Blackett Laboratory, London (United Kingdom); Milburn, Gerard J. [University of Queensland, ARC Centre for Engineered Quantum Systems, Brisbane (Australia); Mueller, Holger [University of California, Department of Physics, Berkeley, CA (United States); Paternostro, Mauro [Queen' s University, Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Belfast (United Kingdom); Pikovski, Igor [Harvard-Smithsonian Center for Astrophysics, ITAMP, Cambridge, MA (United States); Pilan Zanoni, Andre [Airbus Defence and Space GmbH, Immenstaad (Germany); CERN - European Organization for Nuclear Research, EN-STI-TCD, Geneva (Switzerland); Riedel, Charles Jess [Perimeter Institute for Theoretical Physics, Waterloo, ON (Canada); Roura, Albert [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Schleich, Wolfgang P. [Universitaet Ulm, Institut fuer Quantenphysik, Ulm (Germany); Texas A and M University Institute for Advanced Study (TIAS), Institute for Quantum Science and Engineering (IQSE), and Department of Physics and Astronomy, College Station, TX (United States); Schmiedmayer, Joerg [Vienna University of Technology, Vienna Center for Quantum Science and Technology, Institute of Atomic and Subatomic Physics, Vienna (Austria); Schuldt, Thilo [Institute of Space Systems, German Aerospace Center (DLR), Bremen (Germany); Schwab, Keith C. [California Institute of Technology, Applied Physics, Pasadena, CA (United States); Tajmar, Martin [Technische Universitaet Dresden, Institut fuer Luft- und Raumfahrttechnik, Dresden (Germany); Tino, Guglielmo M. [Universita di Firenze, Dipartimento di Fisica e Astronomia and LENS, INFN, Sesto Fiorentino, Firenze (Italy); Ulbricht, Hendrik [University of Southampton, Physics and Astronomy, Southampton (United Kingdom); Ursin, Rupert [Austrian Academy of Sciences, Institute of Quantum Optics and Quantum Information (IQOQI), Vienna (Austria); Vedral, Vlatko [University of Oxford, Atomic and Laser Physics, Clarendon Laboratory, Oxford (United Kingdom); National University of Singapore, Center for Quantum Technologies, Singapore (SG)

2016-12-15

Do the laws of quantum physics still hold for macroscopic objects - this is at the heart of Schroedinger's cat paradox - or do gravitation or yet unknown effects set a limit for massive particles? What is the fundamental relation between quantum physics and gravity? Ground-based experiments addressing these questions may soon face limitations due to limited free-fall times and the quality of vacuum and microgravity. The proposed mission Macroscopic Quantum Resonators (MAQRO) may overcome these limitations and allow addressing such fundamental questions. MAQRO harnesses recent developments in quantum optomechanics, high-mass matter-wave interferometry as well as state-of-the-art space technology to push macroscopic quantum experiments towards their ultimate performance limits and to open new horizons for applying quantum technology in space. The main scientific goal is to probe the vastly unexplored 'quantum-classical' transition for increasingly massive objects, testing the predictions of quantum theory for objects in a size and mass regime unachievable in ground-based experiments. The hardware will largely be based on available space technology. Here, we present the MAQRO proposal submitted in response to the 4th Cosmic Vision call for a medium-sized mission (M4) in 2014 of the European Space Agency (ESA) with a possible launch in 2025, and we review the progress with respect to the original MAQRO proposal for the 3rd Cosmic Vision call for a medium-sized mission (M3) in 2010. In particular, the updated proposal overcomes several critical issues of the original proposal by relying on established experimental techniques from high-mass matter-wave interferometry and by introducing novel ideas for particle loading and manipulation. Moreover, the mission design was improved to better fulfill the stringent environmental requirements for macroscopic quantum experiments. (orig.)

Propagation of acoustic waves in a one-dimensional macroscopically inhomogeneous poroelastic material.

Science.gov (United States)

Gautier, G; Kelders, L; Groby, J P; Dazel, O; De Ryck, L; Leclaire, P

2011-09-01

Wave propagation in macroscopically inhomogeneous porous materials has received much attention in recent years. The wave equation, derived from the alternative formulation of Biot's theory of 1962, was reduced and solved recently in the case of rigid frame inhomogeneous porous materials. This paper focuses on the solution of the full wave equation in which the acoustic and the elastic properties of the poroelastic material vary in one-dimension. The reflection coefficient of a one-dimensional macroscopically inhomogeneous porous material on a rigid backing is obtained numerically using the state vector (or the so-called Stroh) formalism and Peano series. This coefficient can then be used to straightforwardly calculate the scattered field. To validate the method of resolution, results obtained by the present method are compared to those calculated by the classical transfer matrix method at both normal and oblique incidence and to experimental measurements at normal incidence for a known two-layers porous material, considered as a single inhomogeneous layer. Finally, discussion about the absorption coefficient for various inhomogeneity profiles gives further perspectives. © 2011 Acoustical Society of America

A Review on Macroscopic Pedestrian Flow Modelling

Directory of Open Access Journals (Sweden)

Anna Kormanová

2013-12-01

Full Text Available This paper reviews several various approaches to macroscopic pedestrian modelling. It describes hydrodynamic models based on similarity of pedestrian flow with fluids and gases; first-order flow models that use fundamental diagrams and conservation equation; and a model similar to LWR vehicular traffic model, which allows non-classical shocks. At the end of the paper there is stated a comparison of described models, intended to find appropriate macroscopic model to eventually be a part of a hybrid model. The future work of the author is outlined.

Macroscopic Biological Characteristics of Individualized Therapy in Chinese Mongolian Osteopathy

Science.gov (United States)

Namula, Zhao; Mei, Wang; Li, Xue-en

Objective: Chinese Mongolian osteopathy has been passed down from ancient times and includes unique practices and favorable efficacy. In this study, we investigate the macroscopic biological characteristics of individualized Chinese Mongolian osteopathy, in order to provide new principle and methods for the treatment of bone fracture. Method: With a view to provide a vital link between nature and humans, the four stages of Chinese Mongolian osteopathy focus on the unity of the mind and body, the limbs and body organs, the body and its functions, and humans and nature. Results: We discuss the merits of individualized osteopathy in terms of the underlying concepts, and evaluate the approaches and principles of traditional medicine, as well as biomechanics. Conclusions: Individualized Mongolian osteopathy targets macroscopic biological components including dynamic reduction, natural fixation, and functional healing. Chinese Mongolian osteopathy is a natural, ecological and non-invasive osteopathy that values the link between nature and humans, including the unity of mind and body. The biological components not only serve as a foundation for Chinese Mongolian osteopathy but are also important for the future development of modern osteopathy, focusing on individualization, actualization and integration.

Active Polar Two-Fluid Macroscopic Dynamics

Science.gov (United States)

Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.

2014-03-01

We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.

Preparation of red phosphor (Y, Gd)BO3:Eu by soft chemistry methods

International Nuclear Information System (INIS)

Cui Xiangzhong; Zhuang Weidong; Yu Zhijian; Xia Tian; Huang Xiaowei; Li Hongwei

2008-01-01

The three soft chemistry methods were employed to prepare the red phosphor (Y, Gd)BO 3 :Eu, such as coprecipitation-combustion method, salt assisted combustion method and emulsion method. The main factors affecting particle size, particle distribution and luminescent properties of the product were investigated in detail, and as a result, the preparation processes were optimized. The phosphors were characterized by X-ray diffraction (XRD), scanning electronic microscope (SEM), transmission electronic microscope (TEM) and vacuum ultraviolet (VUV) spectra. Results reveal that phosphors with different morphology, small particle size and high luminescence intensity could be obtained by soft chemistry methods. The difference between the luminescence properties of phosphors in this work and commercial rare earth borate phosphor is discussed. The phosphor with grain shape and high luminescence intensity could be prepared by coprecipitation-combustion method, nanophosphor could be prepared by salt assisted combustion method, and spherical phosphor with a narrow size distribution could be obtained by using emulsion method

Iterative ensemble variational methods for nonlinear data assimilation: Application to transport and atmospheric chemistry

International Nuclear Information System (INIS)

Haussaire, Jean-Matthieu

2017-01-01

Data assimilation methods are constantly evolving to adapt to the various application domains. In atmospheric sciences, each new algorithm has first been implemented on numerical weather prediction models before being ported to atmospheric chemistry models. It has been the case for 4D variational methods and ensemble Kalman filters for instance. The new 4D ensemble variational methods (4D EnVar) are no exception. They were developed to take advantage of both variational and ensemble approaches and they are starting to be used in operational weather prediction centers, but have yet to be tested on operational atmospheric chemistry models. The validation of new data assimilation methods on these models is indeed difficult because of the complexity of such models. It is hence necessary to have at our disposal low-order models capable of synthetically reproducing key physical phenomena from operational models while limiting some of their hardships. Such a model, called L95-GRS, has therefore been developed. Il combines the simple meteorology from the Lorenz-95 model to a tropospheric ozone chemistry module with 7 chemical species. Even though it is of low dimension, it reproduces some of the physical and chemical phenomena observable in real situations. A data assimilation method, the iterative ensemble Kalman smoother (IEnKS), has been applied to this model. It is an iterative 4D EnVar method which solves the full non-linear variational problem. This application validates 4D EnVar methods in the context of non-linear atmospheric chemistry, but also raises the first limits of such methods, most noticeably when they are applied to weakly coupled stable models. After this experiment, results have been extended to a realistic atmospheric pollution prediction model. 4D EnVar methods, via the IEnKS, have once again shown their potential to take into account the non-linearity of the chemistry model in a controlled environment, with synthetic observations. However, the

Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research

Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research.

Statistical thermodynamics understanding the properties of macroscopic systems

CERN Document Server

Fai, Lukong Cornelius

2012-01-01

Basic Principles of Statistical PhysicsMicroscopic and Macroscopic Description of StatesBasic PostulatesGibbs Ergodic AssumptionGibbsian EnsemblesExperimental Basis of Statistical MechanicsDefinition of Expectation ValuesErgodic Principle and Expectation ValuesProperties of Distribution FunctionRelative Fluctuation of an Additive Macroscopic ParameterLiouville TheoremGibbs Microcanonical EnsembleMicrocanonical Distribution in Quantum MechanicsDensity MatrixDensity Matrix in Energy RepresentationEntropyThermodynamic FunctionsTemperatureAdiabatic ProcessesPressureThermodynamic IdentityLaws of Th

Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

Science.gov (United States)

Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

2013-01-01

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

A Teaching Method on Basic Chemistry for Freshman (II) : Teaching Method with Pre-test and Post-test

OpenAIRE

立木, 次郎; 武井, 庚二

2004-01-01

This report deals with review of a teaching method on basic chemistry for freshman in this first semester. We tried to review this teaching method with pre-test and post-test by means of the official and private questionnaires. Several hints and thoughts on teaching skills are obtained from this analysis.

Macroscopic erosion of divertor and first wall armour in future tokamaks

Science.gov (United States)

Würz, H.; Bazylev, B.; Landman, I.; Pestchanyi, S.; Safronov, V.

2002-12-01

Sputtering, evaporation and macroscopic erosion determine the lifetime of the 'in vessel' armour materials CFC, tungsten and beryllium presently under discussion for future tokamaks. For CFC armour macroscopic erosion means brittle destruction and dust formation whereas for metallic armour melt layer erosion by melt motion and droplet splashing. Available results on macroscopic erosion from hot plasma and e-beam simulation experiments and from tokamaks are critically evaluated and a comprehensive discussion of experimental and numerical macroscopic erosion and its extrapolation to future tokamaks is given. Shielding of divertor armour materials by their own vapor exists during plasma disruptions. The evolving plasma shield protects the armour from high heat loads, absorbs the incoming energy and reradiates it volumetrically thus reducing drastically the deposited energy. As a result, vertical target erosion by vaporization turns out to be of the order of a few microns per disruption event and macroscopic erosion becomes the dominant erosion source.

Macroscopic erosion of divertor and first wall armour in future tokamaks

International Nuclear Information System (INIS)

Wuerz, H.; Bazylev, B.; Landman, I.; Pestchanyi, S.; Safronov, V.

2002-01-01

Sputtering, evaporation and macroscopic erosion determine the lifetime of the 'in vessel' armour materials CFC, tungsten and beryllium presently under discussion for future tokamaks. For CFC armour macroscopic erosion means brittle destruction and dust formation whereas for metallic armour melt layer erosion by melt motion and droplet splashing. Available results on macroscopic erosion from hot plasma and e-beam simulation experiments and from tokamaks are critically evaluated and a comprehensive discussion of experimental and numerical macroscopic erosion and its extrapolation to future tokamaks is given. Shielding of divertor armour materials by their own vapor exists during plasma disruptions. The evolving plasma shield protects the armour from high heat loads, absorbs the incoming energy and reradiates it volumetrically thus reducing drastically the deposited energy. As a result, vertical target erosion by vaporization turns out to be of the order of a few microns per disruption event and macroscopic erosion becomes the dominant erosion source

The use of multi representative learning materials: definitive, macroscopic, microscopic, symbolic, and practice in analyzing students’ concept understanding

Science.gov (United States)

Susilaningsih, E.; Wulandari, C.; Supartono; Kasmui; Alighiri, D.

2018-03-01

This research aims to compose learning material which contains definitive macroscopic, microscopic and symbolic to analyze students’ conceptual understanding in acid-base learning materials. This research was conducted in eleven grade, natural science class, senior high school 1 (SMAN 1) Karangtengah, Demak province, Indonesia as the low level of students’ conceptual understanding and the high level of students’ misconception. The data collecting technique is by test to assess the cognitive aspect, questionnaire to assess students’ responses to multi representative learning materials (definitive, macroscopic, microscopic, symbolic), and observation to assess students’ macroscopic aspects. Three validators validate the multi-representative learning materials (definitive, macroscopic, microscopic, symbolic). The results of the research show that the multi-representative learning materials (definitive, macroscopic, microscopes, symbolic) being used is valid in the average score 62 of 75. The data is analyzed using the descriptive qualitative method. The results of the research show that 72.934 % students understand, 7.977 % less understand, 8.831 % do not understand, and 10.256 % misconception. In comparison, the second experiment class shows 54.970 % students understand, 5.263% less understand, 11.988 % do not understand, 27.777 % misconception. In conclusion, the application of multi representative learning materials (definitive, macroscopic, microscopic, symbolic) can be used to analyze the students’ understanding of acid-base materials.

Macroscopic and non-linear quantum games

International Nuclear Information System (INIS)

Aerts, D.; D'Hooghe, A.; Posiewnik, A.; Pykacz, J.

2005-01-01

Full text: We consider two models of quantum games. The first one is Marinatto and Weber's 'restricted' quantum game in which only the identity and the spin-flip operators are used. We show that this quantum game allows macroscopic mechanistic realization with the use of a version of the 'macroscopic quantum machine' described by Aerts already in 1980s. In the second model we use non-linear quantum state transformations which operate on points of spin-1/2 on the Bloch sphere and which can be used to distinguish optimally between two non-orthogonal states. We show that efficiency of these non-linear strategies out-perform any linear ones. Some hints on the possible theory of non-linear quantum games are given. (author)

A general method for the inclusion of radiation chemistry in astrochemical models.

Science.gov (United States)

Shingledecker, Christopher N; Herbst, Eric

2018-02-21

In this paper, we propose a general formalism that allows for the estimation of radiolysis decomposition pathways and rate coefficients suitable for use in astrochemical models, with a focus on solid phase chemistry. Such a theory can help increase the connection between laboratory astrophysics experiments and astrochemical models by providing a means for modelers to incorporate radiation chemistry into chemical networks. The general method proposed here is targeted particularly at the majority of species now included in chemical networks for which little radiochemical data exist; however, the method can also be used as a starting point for considering better studied species. We here apply our theory to the irradiation of H 2 O ice and compare the results with previous experimental data.

Microscopic and Macroscopic Structures of Carbon Nanotubes Produced by Pyrolysis of Iron Phthalocyanine

International Nuclear Information System (INIS)

Huang Shaoming; Dai Liming

2002-01-01

By pyrolysis of iron phthalocyanine (FePc), either in a patterned or non-patterned fashion, under an Ar/H 2 atmosphere, we have demonstrated the large-scale production of aligned carbon nanotubes perpendicular to the substrate surface useful for building devices with three-dimensional structures. Depending on the particular pyrolytic conditions used, carbon nanotubes with a wide range of microscopic structures having curved, helical, coiled, branched, and tube-within-tube shapes have also been prepared by the pyrolysis of FePc. This, coupled with several microfabrication methods (photolithography, soft-lithography, self-assembling, micro-contact transfer, etc.), has enabled us to produce carbon nanotube arrays of various macroscopic architectures including polyhedral, flower-like, dendritic, circular, multilayered, and micropatterned geometries. In this article, we summarize our work on the preparation of FePc-generated carbon nanotubes with the large variety of microscopic and macroscopic structures and give a brief overview on the perspectives of making carbon nanotubes with tailor-made microscopic/macroscopic structures, and hence well-defined physicochemical properties, for specific applications

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Majer, V.

1982-01-01

The author of the book has had 25 years of experience at the Nuclear Chemistry of Prague Technical University. In consequence, the book is intended as a basic textbook for students of this field. Its main objectives are an easily understandable presentation of the complex subject and in spite of the uncertainty which still characterizes the definition and subjects of nuclear chemistry - a systematic classification and logical structure. Contents: 1. Introduction (history and definition); 2. General nuclear chemistry (physical fundamentals, hot atom chemistry, interaction of nuclear radiation with matter, radioactive elements, isotope effects, isotope exchange, chemistry of radioactive trace elements); 3. Methods of nuclear chemistry of nuclear chemistry (radiochemical methods, activation, separation and enrichment chemistry); 4. Preparative nuclear chemistry (isotope production, labelled compounds); 5. Analytival nuclear chemistry; 6. Applied nuclear chemistry (isotope applications in general physical and analytical chemistry). The book is supplemented by an annex with tables, a name catalogue and a subject index which will facilitate access to important information. (RB) [de

Macroscopic quantum phenomena from the large N perspective

International Nuclear Information System (INIS)

Chou, C H; Hu, B L; Subasi, Y

2011-01-01

Macroscopic quantum phenomena (MQP) is a relatively new research venue, with exciting ongoing experiments and bright prospects, yet with surprisingly little theoretical activity. What makes MQP intellectually stimulating is because it is counterpoised against the traditional view that macroscopic means classical. This simplistic and hitherto rarely challenged view need be scrutinized anew, perhaps with much of the conventional wisdoms repealed. In this series of papers we report on a systematic investigation into some key foundational issues of MQP, with the hope of constructing a viable theoretical framework for this new endeavour. The three major themes discussed in these three essays are the large N expansion, the correlation hierarchy and quantum entanglement for systems of 'large' sizes, with many components or degrees of freedom. In this paper we use different theories in a variety of contexts to examine the conditions or criteria whereby a macroscopic quantum system may take on classical attributes, and, more interestingly, that it keeps some of its quantum features. The theories we consider here are, the O(N) quantum mechanical model, semiclassical stochastic gravity and gauge / string theories; the contexts include that of a 'quantum roll' in inflationary cosmology, entropy generation in quantum Vlasov equation for plasmas, the leading order and next-to-leading order large N behaviour, and hydrodynamic / thermodynamic limits. The criteria for classicality in our consideration include the use of uncertainty relations, the correlation between classical canonical variables, randomization of quantum phase, environment-induced decoherence, decoherent history of hydrodynamic variables, etc. All this exercise is to ask only one simple question: Is it really so surprising that quantum features can appear in macroscopic objects? By examining different representative systems where detailed theoretical analysis has been carried out, we find that there is no a priori

Methods for the calculation of uncertainty in analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Suh, M. Y.; Sohn, S. C.; Park, Y. J.; Park, K. K.; Jee, K. Y.; Joe, K. S.; Kim, W. H

2000-07-01

This report describes the statistical rules for evaluating and expressing uncertainty in analytical chemistry. The procedures for the evaluation of uncertainty in chemical analysis are illustrated by worked examples. This report, in particular, gives guidance on how uncertainty can be estimated from various chemical analyses. This report can be also used for planning the experiments which will provide the information required to obtain an estimate of uncertainty for the method.

Positronium chemistry

CERN Document Server

Green, James

1964-01-01

Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Majer, K.

1982-01-01

The textbook is a Czech-to-German translation of the second revised edition and covers the subject under the headings: general nuclear chemistry, methods of nuclear chemistry, preparative nuclear chemistry, analytical nuclear chemistry, and applied chemistry. The book is especially directed to students

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

International Nuclear Information System (INIS)

Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal

2015-01-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

Macroscopic models for traffic safety.

NARCIS (Netherlands)

Oppe, S.

1988-01-01

Recently there has been an increased interest in the application of macroscopic models for the description of developments in traffic safety. A discussion was started on the causes of the sudden decrease in the number of fatal and injury accidents after 1974. Before that time these numbers had

Feasibility studies on macroscopic separation of carbon isotopes by IR laser chemistry - a technical report

International Nuclear Information System (INIS)

Mathi, P.; Nayak, A.K.; Parthasarathy, V.; Abhinandan, L.; Sarkar, S.K.

2007-11-01

This report describes the feasibility studies for macroscopic separation of carbon isotopes (∼ 50% enrichment level) by infrared multiphoton dissociation (IRMPD) of Freon - 22 (CF 2 HCl) using a 10Hz pulsed carbon dioxide laser in a large volume (∼ 300 litre) photochemical reactor (PCR). After a general introduction to the objective, the importance of characterization studies with a 10 Hz CO 2 laser is brought out before large scale operation in the PCR is carried out. The laboratory scale results obtained in a small cell with a lower average power (0.5 W) CO 2 laser is verified with a higher power (10 W) laser under optimal conditions. Such an exercise helps in understanding of any anomalies of the results and for applying the appropriate corrective measures while scaling up. The report deals with the design details, fabrication, installation and commissioning of the major components of the setup namely laser system, photochemical reactor, low temperature distillation unit and preparative gas chromatograph for realizing the targeted task. It further describes the standardization methodology of a sensitive analytical technique using quadrupole mass spectrometry (QMS) to ascertain the C 2 F 4 product quality (i.e. enrichment). A pre- concentration method for separating C 2 F 4 from CF 2 HCl using gas chromatography has been developed for very low-level mass spectral analysis. During this exercise, an indigenous QMS developed in VPID (erstwhile MS and ES) has also been benchmarked by comparing its performance with a commercial QMS unit. The report gives in details the operational experience of carrying out the large scale enrichment task in a batch process. The modular PCR employing a multi-pass refocusing Herriott optics for efficient photon utilization and gas blower arrangement for gas circulation during laser photolysis has given a typical production rate of about 10 mg/hr for total carbon with a 13 C isotopic purity of ∼ 40%. It further indicates the scope

Greening a Chemistry Teaching Methods Course at the School of Educational Studies, Universiti Sains Malaysia

Science.gov (United States)

Karpudewan, Mageswary; Hj Ismail, Zurida; Mohamed, Norita

2011-01-01

Green chemistry is the design, development and implementation of chemical products and processes to reduce or eliminate the use of sub-stances hazardous to human health and the environment. This article reports on the integration of green chemistry and sustainable development concepts (SDCs) into an existing teaching methods course for chemistry…

Thermal activation and macroscopic quantum tunneling in a DC SQUID

International Nuclear Information System (INIS)

Sharifi, F.; Gavilano, J.L.; VanHarlingen, D.J.

1989-01-01

The authors report measurements of the transition rate from metastable minima in the two-dimensional 1 of a dc SQUID as a function of applied flux temperature. The authors observe a crossover from energy-activated escape to macroscopic quantum tunneling at a critical temperature. The macroscopic quantum tunneling rate is substantially reduced by damping, and also broadens the crossover region. Most interestingly, the authors observe thermal rates that are suppressed from those predicted by the two-dimensional thermal activation model. The authors discuss possible explanations for this based on the interaction of the macroscopic degree of freedom in the device and energy level effects

Averaging problem in general relativity, macroscopic gravity and using Einstein's equations in cosmology.

Science.gov (United States)

Zalaletdinov, R. M.

1998-04-01

The averaging problem in general relativity is briefly discussed. A new setting of the problem as that of macroscopic description of gravitation is proposed. A covariant space-time averaging procedure is described. The structure of the geometry of macroscopic space-time, which follows from averaging Cartan's structure equations, is described and the correlation tensors present in the theory are discussed. The macroscopic field equations (averaged Einstein's equations) derived in the framework of the approach are presented and their structure is analysed. The correspondence principle for macroscopic gravity is formulated and a definition of the stress-energy tensor for the macroscopic gravitational field is proposed. It is shown that the physical meaning of using Einstein's equations with a hydrodynamic stress-energy tensor in looking for cosmological models means neglecting all gravitational field correlations. The system of macroscopic gravity equations to be solved when the correlations are taken into consideration is given and described.

Bimodality in macroscopic dynamics of nuclear fission

International Nuclear Information System (INIS)

Bastrukov, S.I.; Salamatin, V.S.; Strteltsova, O.I.; Molodtsova, I.V.; Podgainy, D.V.; )

2000-01-01

The elastodynamic collective model of nuclear fission is outlined whose underlying idea is that the stiff structure of nuclear shells imparts to nucleus properties typical of a small piece of an elastic solid. Emphasis is placed on the macroscopic dynamics of nuclear deformations resulting in fission by two energetically different modes. The low-energy S-mode is the fission due to disruption of elongated quadrupole spheroidal shape. The characteristic features of the high-energy T-mode of division by means of torsional shear deformations is the compact scission configuration. Analytic and numerical estimates for the macroscopic fission-barrier heights are presented, followed by discussion of fingerprints of the above dynamical bimodality in the available data [ru

Macroscopic transport by synthetic molecular machines

NARCIS (Netherlands)

Berna, J; Leigh, DA; Lubomska, M; Mendoza, SM; Perez, EM; Rudolf, P; Teobaldi, G; Zerbetto, F

Nature uses molecular motors and machines in virtually every significant biological process, but demonstrating that simpler artificial structures operating through the same gross mechanisms can be interfaced with - and perform physical tasks in - the macroscopic world represents a significant hurdle

Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

International Nuclear Information System (INIS)

Ryan, R.R.

1982-05-01

This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research

Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1982-05-01

This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research.

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1975-01-01

The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

Analytical Chemistry as Methodology in Modern Pure and Applied Chemistry

OpenAIRE

Honjo, Takaharu

2001-01-01

Analytical chemistry is an indispensable methodology in pure and applied chemistry, which is often compared to a foundation stone of architecture. In the home page of jsac, it is said that analytical chemistry is a learning of basic science, which treats the development of method in order to get usefull chemical information of materials by means of detection, separation, and characterization. Analytical chemistry has recently developed into analytical sciences, which treats not only analysis ...

Manual of analytical methods for the Industrial Hygiene Chemistry Laboratory

Energy Technology Data Exchange (ETDEWEB)

Greulich, K.A.; Gray, C.E. (comp.)

1991-08-01

This Manual is compiled from techniques used in the Industrial Hygiene Chemistry Laboratory of Sandia National Laboratories in Albuquerque, New Mexico. The procedures are similar to those used in other laboratories devoted to industrial hygiene practices. Some of the methods are standard; some, modified to suit our needs; and still others, developed at Sandia. The authors have attempted to present all methods in a simple and concise manner but in sufficient detail to make them readily usable. It is not to be inferred that these methods are universal for any type of sample, but they have been found very reliable for the types of samples mentioned.

Manual of analytical methods for the Industrial Hygiene Chemistry Laboratory

International Nuclear Information System (INIS)

Greulich, K.A.; Gray, C.E.

1991-08-01

This Manual is compiled from techniques used in the Industrial Hygiene Chemistry Laboratory of Sandia National Laboratories in Albuquerque, New Mexico. The procedures are similar to those used in other laboratories devoted to industrial hygiene practices. Some of the methods are standard; some, modified to suit our needs; and still others, developed at Sandia. The authors have attempted to present all methods in a simple and concise manner but in sufficient detail to make them readily usable. It is not to be inferred that these methods are universal for any type of sample, but they have been found very reliable for the types of samples mentioned

Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems

Directory of Open Access Journals (Sweden)

Christopher Jarzynski

2017-01-01

Full Text Available We develop a thermodynamic framework that describes a classical system of interest S that is strongly coupled to its thermal environment E. Within this framework, seven key thermodynamic quantities—internal energy, entropy, volume, enthalpy, Gibbs free energy, heat, and work—are defined microscopically. These quantities obey thermodynamic relations including both the first and second law, and they satisfy nonequilibrium fluctuation theorems. We additionally impose a macroscopic consistency condition: When S is large, the quantities defined within our framework scale up to their macroscopic counterparts. By satisfying this condition, we demonstrate that a unifying framework can be developed, which encompasses both stochastic thermodynamics at one end, and macroscopic thermodynamics at the other. A central element in our approach is a thermodynamic definition of the volume of the system of interest, which converges to the usual geometric definition when S is large. We also sketch an alternative framework that satisfies the same consistency conditions. The dynamics of the system and environment are modeled using Hamilton’s equations in the full phase space.

Double electrochemical covalent coupling method based on click chemistry and diazonium chemistry for the fabrication of sensitive amperometric immunosensor.

Science.gov (United States)

Qi, Honglan; Li, Min; Zhang, Rui; Dong, Manman; Ling, Chen

2013-08-20

A double electrochemical covalent coupling method based on click chemistry and diazonium chemistry for the fabrication of sensitive amperometric immunosensor was developed. As a proof-of-concept, a designed alkyne functionalized human IgG was used as a capture antibody and a HRP-labeled rabbit anti-goat IgG was used as signal antibody for the determination of the anti-human IgG using the sandwich model. The immunosensor was fabricated by electrochemically grafting a phenylazide on the surface of a glassy carbon electrode, and then, by coupling the alkyne functionalized human IgG with the phenylazide group through an electro-click chemistry in the presence of Cu(II). The amperometric measurement for the determination of the anti-human IgG was performed after the fabricated immunosensor was incubated with the target anti-human IgG and then with the HRP-labeled anti-goat IgG at -0.25V in 0.10M PBS (pH 7.0) containing 0.1mM hydroquinone and 2.0mM H2O2. The results showed that the increased current was linear with the logarithm of the concentration of the anti-human IgG in the range from 1.0×10(-10)g mL(-1) to 1.0×10(-8)g mL(-1) with a detection limit of 3×10(-11)g mL(-1). Furthermore, the feasibility of the double electrochemical covalent coupling method proposed in this work for fabricating the amperometric immunosensor array was explored. This work demonstrates that the double electrochemical covalent coupling method is a promising approach for the fabrication of the immunosensor and immunosensor array. Copyright © 2013 Elsevier B.V. All rights reserved.

Collective motion of macroscopic spheres floating on capillary ripples: Dynamic heterogeneity and dynamic criticality

NARCIS (Netherlands)

Sanli, Ceyda; Saitoh, K.; Luding, Stefan; van der Meer, Roger M.

2014-01-01

When a densely packed monolayer of macroscopic spheres floats on chaotic capillary Faraday waves, a coexistence of large scale convective motion and caging dynamics typical for glassy systems is observed. We subtract the convective mean flow using a coarse graining (homogenization) method and reveal

Problem-Based Learning Method: Secondary Education 10th Grade Chemistry Course Mixtures Topic

Science.gov (United States)

Üce, Musa; Ates, Ismail

2016-01-01

In this research; aim was determining student achievement by comparing problem-based learning method with teacher-centered traditional method of teaching 10th grade chemistry lesson mixtures topic. Pretest-posttest control group research design is implemented. Research sample includes; two classes of (total of 48 students) an Anatolian High School…

Integrating Multiple Teaching Methods into a General Chemistry Classroom

Science.gov (United States)

Francisco, Joseph S.; Nicoll, Gayle; Trautmann, Marcella

1998-02-01

In addition to the traditional lecture format, three other teaching strategies (class discussions, concept maps, and cooperative learning) were incorporated into a freshman level general chemistry course. Student perceptions of their involvement in each of the teaching methods, as well as their perceptions of the utility of each method were used to assess the effectiveness of the integration of the teaching strategies as received by the students. Results suggest that each strategy serves a unique purpose for the students and increased student involvement in the course. These results indicate that the multiple teaching strategies were well received by the students and that all teaching strategies are necessary for students to get the most out of the course.

Macroscopic realism and quantum measurement: measurers as a natural kind

International Nuclear Information System (INIS)

Jaeger, Gregg

2014-01-01

The notion of macroscopic realism has been used in attempts to achieve consistency between physics and everyday experience and to locate some boundary between the realms of classical mechanics and quantum meachanics. Its ostensibly underlying conceptual components, realism and macroscopicity, have most often appeared in the foundations of physics in relation to quantum measurement: reality became a prominent topic of discussion in quantum physics after the notion of element of reality was defined and used by Einstein, Podolsky and Rosen in that context, and macroscopicity is often explicitly assumed to be an essential property of any measuring apparatus. However, macroscopicity turns out to be a rather vaguer and less consistently understood notion than typically assumed by physicists who have not explicitly explored the notion themselves. For this reason, it behooves those investigating the foundations of quantum mechanics from a realist perspective to look for alternative notions for grounding quantum measurement. Here, the merits of treating the measuring instrument as a ‘natural kind’ as a means of avoiding anthropocentrism in the foundations of quantum measurement are pointed out as a means of advancing quantum measurement theory. (paper)

Preparative radiation chemistry

International Nuclear Information System (INIS)

Drawe, H.

1978-01-01

Preparative synthesis of compounds with the aid of radiation chemistry is increasingly used in laboratories as well as on a technical scale. A large number of new compounds has been produced with the methods of radiation chemistry. With the increasing number of available radiation sources, also the number of synthesis metods in radiation chemistry has increased. This paper can only briefly mention the many possible ways of synthesis in radiation chemistry. (orig./HK) [de

Macroscopic and spectroscopic investigations on the immobilization of radionuclides by hardened cement paste

International Nuclear Information System (INIS)

Wieland, E.; Bonhoure, I.; Tits, J.; Scheidegger, A.M.; Bradbury, M.H.

2002-01-01

The uptake of safety-relevant radionuclides was studied using a combination of macroscopic (wet chemistry) and spectroscopic (X-ray absorption fine structure (XAFS) spectroscopy) techniques with the aim of gaining a mechanistic understanding of the uptake processes on hardened cement paste (HCP) and deducing robust sets of sorption values. HCP contains impurities of metal cations in the ppb to ppm concentration range. As a consequence, the inventories of stable isotopes are expected to be significant in a cementitious near-field and may even exceed the radionuclide inventories of the waste matrix for many safety-relevant radioelements. In view of the significant inventories of stable isotopes, it is suggested that isotopic exchange - replacement of stable isotopes by their radioactive counterparts in the cement matrix - is an important immobilisation process in HCP. However, it is not a priori known what proportion of each elemental inventory is available for isotopic exchange. Wet chemistry studies with Cs and Sr show that the total inventory of these elements is reversibly bound and that their partitioning between HCP and pore water can be modelled using the distribution values deduced from studies of the corresponding tracers ( 137 Cs and 85 Sr). This finding corroborates the relevance of isotopic exchange in cementitious systems. Wet chemistry investigations need to be complemented by spectroscopic techniques, e.g., XAFS, in order to gain a mechanistic understanding of the chemical processes by which waste ions become immobilised in cement-based matrices. XAFS can be used to obtain information at the atomic/molecular level, i.e., the type, number and distance of neighbouring atoms. XAFS studies on cementitious systems are still rather rare, and therefore information on the potential and limitations of this technique is sparse. Mechanistic aspects of the immobilisation processes are discussed for some safety-relevant radionuclides (e.g. Ni and Sr) using the

Macroscopic quantum electrodynamics of high-Q cavities

International Nuclear Information System (INIS)

Khanbekyan, Mikayel

2009-01-01

In this thesis macroscopic quantum electrodynamics in linear media was applied in order to develop an universally valid quantum theory for the description of the interaction of the electromagnetic field with atomic sources in high-Q cavities. In this theory a complete description of the characteristics of the emitted radiation is given. The theory allows to show the limits of the applicability of the usually applied theory. In order to establish an as possible generally valid theory first the atom-field interaction was studied in the framework of macroscopic quantum electrodynamics in dispersive and absorptive media. In order to describe the electromagnetic field from Maxwell's equations was started, whereby the noise-current densities, which are connected with the absorption of the medium, were included. The solution of these equations expresses the electromagnetic field variables by the noise-current densities by means of Green's tensor of the macroscopic Maxwell equations. The explicit quantization is performed by means of the noise-current densities, whereby a diagonal Hamiltonian is introduced, which then guarantees the time development according to Maxwell's equation and the fulfillment of the fundamental simultaneous commutation relations of the field variables. In the case of the interaction of the medium-supported field with atoms the Hamiltonian must be extended by atom-field interactions energies, whereby the canonical coupling schemes of the minimal or multipolar coupling can be used. The dieelectric properties of the material bodies as well as their shape are coded in the Green tensor of the macroscopic Maxwell equations. As preparing step first the Green tensor was specified in order to derive three-dimensional input-output relations for the electromagnetic field operators on a plane multilayer structure. Such a general dewscription of the electromagnetic field allows the inclusion both of dispersion and absorption of the media and the possible

Mixed-Methods Study of Online and Written Organic Chemistry Homework

Science.gov (United States)

Malik, Kinza; Martinez, Nylvia; Romero, Juan; Schubel, Skyler; Janowicz, Philip A.

2014-01-01

Connect for organic chemistry is an online learning tool that gives students the opportunity to learn about all aspects of organic chemistry through the ease of the digital world. This research project consisted of two fundamental questions. The first was to discover whether there was a difference in undergraduate organic chemistry content…

An Enzymatic Clinical Chemistry Laboratory Experiment Incorporating an Introduction to Mathematical Method Comparison Techniques

Science.gov (United States)

Duxbury, Mark

2004-01-01

An enzymatic laboratory experiment based on the analysis of serum is described that is suitable for students of clinical chemistry. The experiment incorporates an introduction to mathematical method-comparison techniques in which three different clinical glucose analysis methods are compared using linear regression and Bland-Altman difference…

Observation of squeezed light and quantum description of the macroscopical body movement

International Nuclear Information System (INIS)

Bykov, V.P.

1992-01-01

The possibility of a nondemolition measurement (observation) of macroscopical objects in widely distributed quantum mechanical states arises from the fact of the squezzed light observation. Macroscopical bodies -bodies of classical mechanics - are usually in states with narrow wave packets. It is shown that the absence of macroscopical bodies in widely distributed states is due to the focusing influence of the body's gravity field on its wave packet. An evidence that the gravity is essential in the classic limit of quantum mechanics is given. (author). 14 refs, 7 figs

Macroscopic quantum waves in non local theories

International Nuclear Information System (INIS)

Ventura, I.

1979-01-01

By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also appear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He [pt

The Importance of Computer Based Active Learning for Basic Chemistry in Vocational High Schools

Directory of Open Access Journals (Sweden)

Tuğçe GÜNTER

2011-01-01

Full Text Available Chemistry is a very comprehensive discipline that researches atoms; molecules; the structure of matter in the form of element or compound; combinations, and physical and chemical properties of matter; macroscopic and microscopic transformations of matters; the energy and entropy released or absorbed in the course of these transformations; the structures and functions of carbohydrates, lipids, proteins, enzymes, vitamins and minerals in the body. This discipline includes numerous reactions at the macroscopic, microscopic and particulate levels, abstract concepts, three-dimensional structure of molecules, mathematics, and graphics. It is important for students to be trained as scientists to internalize -with meaningful learning - chemistry having much abstract concepts. Especially for students in associate degree programs in Vocational High Schools, taking this integrated course will provide them to be more creative in their future professional work; to cope with and overcome analytical problems; to be self-learners; to fill the gaps concerning chemical analysis originated from secondary education; and to gain critical thinking and self-evaluation skills regarding chemical problems. In the age of developing science and technology, “Computer-Based Active Learning Method” emerged with the introduction of multi-media into education and training. In this context, students will learn difficult and complex mathematical operations and graphics interpretations more meaningfully with computer-based simulations and analogies.

In regard to the question of macroscopic differential diagnosis of alcoholic and dilated cardiomyopathy

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O. V. Sokolova

2014-01-01

Full Text Available The differential diagnosis of alcoholic and dilated cardiomyopathy according to the macroscopic data is represented in the article. The identity of macroscopic changes of heart, related to alcoholic and dilated cardiomyopathy, cannot diagnose these diseases based on the macroscopic characteristics; especially if there are no other visceral manifestations typical for chronic alcoholism.

Macroscopic and radiographic examination of proximal root surface caries

International Nuclear Information System (INIS)

Nordenram, G.; Bergvist, A.; Johnson, G.; Henriksen, C.O.; Anneroth, G.

1988-01-01

The purpose of the study was to compare macroscopic and radiographic examination of proximal root surface caries of extracted teeth from patients aged 65-95 years. Although the study conditions for macroscopic and radiographic diagnosis favored more sensitive evaluations than routine clinical conditions, there was a 24% disagreement in diagnosis. This finding indicates that under routine clinical conditions it is difficult to register with certainty all superficial root carious lesions. Even in the absence of clinically detectable root surface caries, preventive measures should be considered for elderly people with exposed root surfaces

Macroscopic Hematuria After Conventional or Hypofractionated Radiation Therapy: Results From a Prospective Phase 3 Study

Energy Technology Data Exchange (ETDEWEB)

Sanguineti, Giuseppe, E-mail: sanguineti@ifo.it [Department of Radiation Oncology, Regina Elena National Cancer Institute, Rome (Italy); Arcidiacono, Fabio [Department of Radiation Oncology, Regina Elena National Cancer Institute, Rome (Italy); Landoni, Valeria [Department of Physics, Regina Elena National Cancer Institute, Rome (Italy); Saracino, Bianca Maria; Farneti, Alessia; Arcangeli, Stefano; Petrongari, Maria Grazia; Gomellini, Sara [Department of Radiation Oncology, Regina Elena National Cancer Institute, Rome (Italy); Strigari, Lidia [Department of Physics, Regina Elena National Cancer Institute, Rome (Italy); Arcangeli, Giorgio [Department of Radiation Oncology, Regina Elena National Cancer Institute, Rome (Italy)

2016-10-01

Purpose: To assess the macroscopic hematuria rates within a single-institution randomized phase 3 trial comparing dose-escalated, conventionally fractionated radiation therapy (CFRT) and moderately hypofractionated radiation therapy (MHRT) for localized prostate cancer. Methods and Materials: Patients with intermediate- to high-risk localized prostate cancer were treated with conformal RT and short-course androgen deprivation. Both the prostate and the entire seminal vesicles were treated to 80 Gy in 40 fractions over 8 weeks (CFRT) or 62 Gy in 20 fractions over 5 weeks (MHRT). The endpoint of the present study was the development of any episode or grade of macroscopic hematuria. The median follow-up period was 93 months (range 6-143). Results: Macroscopic hematuria was reported by 25 of 168 patients (14.9%). The actuarial estimate of hematuria at 8 years was 17.0% (95% confidence interval [CI] 10.7%-23.3%). The number of patients with hematuria was 6 and 19 in the CFRT and MHRT arms, respectively, for an actuarial 8-year estimate of 9.7% and 24.3%, respectively (hazard ratio 3.468, 95% CI 1.385-8.684; P=.008). Overall, 8 of 25 patients were found to have biopsy-proven urothelial carcinoma (3 in the CFRT arm and 5 in the MHRT arm; P=.27). Thus, the 8-year actuarial incidence of macroscopic hematuria (after censoring urothelial cancer–related episodes) was 4.1% and 18.2% after CFRT and MHRT, respectively (hazard ratio 4.961, 95% CI 1.426-17.263; P=.012). The results were confirmed by multivariate analysis after accounting for several patient-, treatment-, and tumor-related covariates. Conclusions: MHRT was associated with a statistically significant increased risk of macroscopic hematuria compared with CFRT.

Macroscopic Hematuria After Conventional or Hypofractionated Radiation Therapy: Results From a Prospective Phase 3 Study

International Nuclear Information System (INIS)

Sanguineti, Giuseppe; Arcidiacono, Fabio; Landoni, Valeria; Saracino, Bianca Maria; Farneti, Alessia; Arcangeli, Stefano; Petrongari, Maria Grazia; Gomellini, Sara; Strigari, Lidia; Arcangeli, Giorgio

2016-01-01

Purpose: To assess the macroscopic hematuria rates within a single-institution randomized phase 3 trial comparing dose-escalated, conventionally fractionated radiation therapy (CFRT) and moderately hypofractionated radiation therapy (MHRT) for localized prostate cancer. Methods and Materials: Patients with intermediate- to high-risk localized prostate cancer were treated with conformal RT and short-course androgen deprivation. Both the prostate and the entire seminal vesicles were treated to 80 Gy in 40 fractions over 8 weeks (CFRT) or 62 Gy in 20 fractions over 5 weeks (MHRT). The endpoint of the present study was the development of any episode or grade of macroscopic hematuria. The median follow-up period was 93 months (range 6-143). Results: Macroscopic hematuria was reported by 25 of 168 patients (14.9%). The actuarial estimate of hematuria at 8 years was 17.0% (95% confidence interval [CI] 10.7%-23.3%). The number of patients with hematuria was 6 and 19 in the CFRT and MHRT arms, respectively, for an actuarial 8-year estimate of 9.7% and 24.3%, respectively (hazard ratio 3.468, 95% CI 1.385-8.684; P=.008). Overall, 8 of 25 patients were found to have biopsy-proven urothelial carcinoma (3 in the CFRT arm and 5 in the MHRT arm; P=.27). Thus, the 8-year actuarial incidence of macroscopic hematuria (after censoring urothelial cancer–related episodes) was 4.1% and 18.2% after CFRT and MHRT, respectively (hazard ratio 4.961, 95% CI 1.426-17.263; P=.012). The results were confirmed by multivariate analysis after accounting for several patient-, treatment-, and tumor-related covariates. Conclusions: MHRT was associated with a statistically significant increased risk of macroscopic hematuria compared with CFRT.

Investigation into macroscopic and microscopic behaviors of wet granular soils using discrete element method and X-ray computed tomography

Science.gov (United States)

Than, Vinh-Du; Tang, Anh-Minh; Roux, Jean-Noël; Pereira, Jean-Michel; Aimedieu, Patrick; Bornert, Michel

2017-06-01

We present an investigation into macroscopic and microscopic behaviors of wet granular soils using the discrete element method (DEM) and the X-ray Computed Tomography (XRCT) observations. The specimens are first prepared in very loose states, with frictional spherical grains in the presence of a small amount of an interstitial liquid. Experimental oedometric tests are carried out with small glass beads, while DEM simulations implement a model of spherical grains joined by menisci. Both in experiments and in simulations, loose configurations with solid fraction as low as 0.30 are prepared under low stress, and undergo a gradual collapse in compression, until the solid fraction of cohesionless bead packs (0.58 to 0.6) is obtained. In the XRCT tests, four 3D tomography images corresponding to different typical stages of the compression curve are used to characterize the microstructure.

Macroscopic quantum waves in non local theories

International Nuclear Information System (INIS)

Ventura, I.

1979-01-01

By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also apear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He. (Author) [pt

Extended Macroscopic Study of Dilute Gas Flow within a Microcavity

Directory of Open Access Journals (Sweden)

Mohamed Hssikou

2016-01-01

Full Text Available The behaviour of monatomic and dilute gas is studied in the slip and early transition regimes using the extended macroscopic theory. The gas is confined within a two-dimensional microcavity where the longitudinal sides are in the opposite motion with constant velocity ±Uw. The microcavity walls are kept at the uniform and reference temperature T0. Thus, the gas flow is transported only by the shear stress induced by the motion of upper and lower walls. From the macroscopic point of view, the regularized 13-moment equations of Grad, R13, are solved numerically. The macroscopic gas proprieties are studied for different values of the so-called Knudsen number (Kn, which gives the gas-rarefaction degree. The results are compared with those obtained using the classical continuum theory of Navier-Stokes and Fourier (NSF.

The importance of radiochemistry and indicator methods for the chemistry of traces

International Nuclear Information System (INIS)

Benes, P.; Majer, V.

1980-01-01

Sensitivity is compared for common chemical methods with respect to nonradioactive materials and methods for determining trace amounts of radioactive substances. The concept of trace amounts is explained and some other notions and terms are discussed from the point of view of chemistry and radiochemistry. The problem of radiation effect is briefly assessed on a sample of material containing trace amounts of a radionuclide and the isotopic effect problem in hydrogen is treated. (M.S.)

Elucidation of molecular kinetic schemes from macroscopic traces using system identification.

Directory of Open Access Journals (Sweden)

Miguel Fribourg

2017-02-01

Full Text Available Overall cellular responses to biologically-relevant stimuli are mediated by networks of simpler lower-level processes. Although information about some of these processes can now be obtained by visualizing and recording events at the molecular level, this is still possible only in especially favorable cases. Therefore the development of methods to extract the dynamics and relationships between the different lower-level (microscopic processes from the overall (macroscopic response remains a crucial challenge in the understanding of many aspects of physiology. Here we have devised a hybrid computational-analytical method to accomplish this task, the SYStems-based MOLecular kinetic scheme Extractor (SYSMOLE. SYSMOLE utilizes system-identification input-output analysis to obtain a transfer function between the stimulus and the overall cellular response in the Laplace-transformed domain. It then derives a Markov-chain state molecular kinetic scheme uniquely associated with the transfer function by means of a classification procedure and an analytical step that imposes general biological constraints. We first tested SYSMOLE with synthetic data and evaluated its performance in terms of its rate of convergence to the correct molecular kinetic scheme and its robustness to noise. We then examined its performance on real experimental traces by analyzing macroscopic calcium-current traces elicited by membrane depolarization. SYSMOLE derived the correct, previously known molecular kinetic scheme describing the activation and inactivation of the underlying calcium channels and correctly identified the accepted mechanism of action of nifedipine, a calcium-channel blocker clinically used in patients with cardiovascular disease. Finally, we applied SYSMOLE to study the pharmacology of a new class of glutamate antipsychotic drugs and their crosstalk mechanism through a heteromeric complex of G protein-coupled receptors. Our results indicate that our methodology

Increasing High School Students' Chemistry Performance and Reducing Cognitive Load through an Instructional Strategy Based on the Interaction of Multiple Levels of Knowledge Representation

Science.gov (United States)

Milenkovic´, Dus?ica D.; Segedinac, Mirjana D.; Hrin, Tamara N.

2014-01-01

The central goal of this study was to examine the extent to which a teaching approach focused on the interaction between macroscopic, submicroscopic, and symbolic levels of chemistry representations could affect high school students' performance in the field of inorganic reactions, as well as to examine how the applied instruction influences…

The mirrors model: macroscopic diffusion without noise or chaos

International Nuclear Information System (INIS)

Chiffaudel, Yann; Lefevere, Raphaël

2016-01-01

Before stating our main result, we first clarify through classical examples the status of the laws of macroscopic physics as laws of large numbers. We next consider the mirrors model in a finite d-dimensional domain and connected to particles reservoirs at fixed chemical potentials. The dynamics is purely deterministic and non-ergodic but takes place in a random environment. We study the macroscopic current of particles in the stationary regime. We show first that when the size of the system goes to infinity, the behaviour of the stationary current of particles is governed by the proportion of orbits crossing the system. This allows us to formulate a necessary and sufficient condition on the distribution of the set of orbits that ensures the validity of Fick’s law. Using this approach, we show that Fick’s law relating the stationary macroscopic current of particles to the concentration difference holds in three dimensions and above. The negative correlations between crossing orbits play a key role in the argument. (letter)

Macroscopic description of the limb muscles of Tupinambis merianae

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Juliana Barbosa Casals

2012-03-01

Full Text Available Tegu lizard (Tupinambis merianae belongs to the Teiidae family. It is distributed throughout the Americas, with many species, including Brazilian ones. They are from the Tupinambis genus, the largest representatives of the Teiidae family. For this study three animals (run over coming from donation were used. The dissected lizards were fixed in 10%, formaldehyde, and the macroscopic analysis was carried out in a detailed and photo documented way, keeping the selected structures “in situ”. This paper had as its main aim contributing to the macroscopic description of the chest myology, as well as the thoracic and pelvic limbs of the lizard T. merianae. The results obtained from this research were compared to authors who have studied animals from the same Reptilia class. Thus, we conclude that our macroscopic results are similar to those already described by the researchers Hildebrand (1995, Moro and Abdala (2004 and Abdala and Diogo (2010. We should highlight that the knowledge on anatomy has importance and applications to various areas within Biology, contributing in a substantial way to the areas of human health and technology.

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

Directory of Open Access Journals (Sweden)

Taghi Rajabi

2017-09-01

Full Text Available : Concept maps of chemistry can be obtained from thesaurus of chemistry. Analysis of information in the field of chemistry is done at graduate level, based on comparing and analyzing chemistry dissertations by using these maps. Therefore, the use of thesaurus for analyzing scientific information is recommended. Major advantage of using this method, is that it is possible to obtain a detailed map of all academic researches across all branches of science. The researches analysis results in chemical science can play a key role in developing strategic research policies, educational programming, linking universities to industries and postgraduate educational programming. This paper will first introduce the concept maps of chemistry. Then, emerging patterns from the concept maps of chemistry will be used to analyze the trend in the academic dissertations in chemistry, using the data collected and stored in our database at Iranian Research Institute for Information Science and Technology (IranDoc over the past 10 years (1998-2009.

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

OpenAIRE

Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik

2015-01-01

The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-establis...

The origins of macroscopic quantum coherence in high temperature superconductivity

International Nuclear Information System (INIS)

Turner, Philip; Nottale, Laurent

2015-01-01

Highlights: • We propose a new theoretical approach to superconductivity in p-type cuprates. • Electron pairing mechanisms in the superconducting and pseudogap phases are proposed. • A scale free network of dopants is key to macroscopic quantum coherence. - Abstract: A new, theoretical approach to macroscopic quantum coherence and superconductivity in the p-type (hole doped) cuprates is proposed. The theory includes mechanisms to account for e-pair coupling in the superconducting and pseudogap phases and their inter relations observed in these materials. Electron pair coupling in the superconducting phase is facilitated by local quantum potentials created by static dopants in a mechanism which explains experimentally observed optimal doping levels and the associated peak in critical temperature. By contrast, evidence suggests that electrons contributing to the pseudogap are predominantly coupled by fractal spin waves (fractons) induced by the fractal arrangement of dopants. On another level, the theory offers new insights into the emergence of a macroscopic quantum potential generated by a fractal distribution of dopants. This, in turn, leads to the emergence of coherent, macroscopic spin waves and a second associated macroscopic quantum potential, possibly supported by charge order. These quantum potentials play two key roles. The first involves the transition of an expected diffusive process (normally associated with Anderson localization) in fractal networks, into e-pair coherence. The second involves the facilitation of tunnelling between localized e-pairs. These combined effects lead to the merger of the super conducting and pseudo gap phases into a single coherent condensate at optimal doping. The underlying theory relating to the diffusion to quantum transition is supported by Coherent Random Lasing, which can be explained using an analogous approach. As a final step, an experimental program is outlined to validate the theory and suggests a new

Computational quantum chemistry website

International Nuclear Information System (INIS)

1997-01-01

This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

Quantum chemistry

CERN Document Server

Lowe, John P

1993-01-01

Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

Theory of Hydrogen Storage: A New Strategy within Organometallic Chemistry

Science.gov (United States)

Zhao, Yufeng

2006-03-01

As one of the most vigorous fields in modern chemistry, organometallic chemistry has made vast contributions to a broad variety of technological fields including catalysis, light emitters, molecular devices, liquid crystals, and even superconductivity. Here we show that organometallic chemistry in nanoscale could be the frontier in hydrogen storage. Our study is based on the notion that the 3d transition metal (TM) atoms are superb absorbers for H storage, as their empty d orbital can bind dihydrogen ligands (elongated but non-dissociated H2) with high capacity at nearly ideal binding energy for reversible hydrogen storage. By embedding the TM atoms into a carbon-based nanostructures, high H capacity can be maintained. This presentation contains four parts. First, by comparing the conventional hydrogen storage media, e.g., metal hydrides and carbon-based materials, the general principles for designing hydrogen storage materials are outlined. Second, organometallic buckyballs are studied to demonstrate the novel strategy. The amount of H2 adsorbed on a Sc-coated fullerene, C48B12 [ScH]12, could approach 9 wt%, with binding energies of 30-40 kJ/mol. Third, the method is applied to the transition-metal carbide nanoparticles that have been synthesized experimentally. The similar non-dissociative H2 binding is revealed in our calculation, thereby demonstrating the resilience of the overall mechanism. Moreover, a novel self-catalysis process is identified. In the fourth part, transition-metal functionalization of highly porous carbon-based materials is discussed heuristically to foresee macroscopic media for hydrogen storage. Finally follows the summary and discussion of the remaining challenges to practical hydrogen storage. Work in collaboration with A. C. Dillon, Y.-H. Kim, M. Heben & S. B. Zhang and supported by the U.S. DOE/EERE under contract No. DE-AC36-99GO10337.

Solvable Quantum Macroscopic Motions and Decoherence Mechanisms in Quantum Mechanics on Nonstandard Space

Science.gov (United States)

Kobayashi, Tsunehiro

1996-01-01

Quantum macroscopic motions are investigated in the scheme consisting of N-number of harmonic oscillators in terms of ultra-power representations of nonstandard analysis. Decoherence is derived from the large internal degrees of freedom of macroscopic matters.

Multiscale Investigation on Biofilm Distribution and Its Impact on Macroscopic Biogeochemical Reaction Rates

Science.gov (United States)

Yan, Zhifeng; Liu, Chongxuan; Liu, Yuanyuan; Bailey, Vanessa L.

2017-11-01

Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.

Preparation of SnO2 Nanoparticles by Two Different Wet Chemistry Methods

International Nuclear Information System (INIS)

Ridha, N.J.; Akrajas Ali Umar; Muhammad Yahya; Muhammad Mat Salleh; Mohamad Hafizuddin Jumali

2011-01-01

The objective of this project is to prepare SnO 2 nanoparticles by two different wet chemistry methods namely sol gel and direct growth methods. The XRD results indicated that both samples are single phase SnO 2 . The FE-SEM micrographs displayed that SnO 2 nanoparticles prepared in first method exhibited a round shape with particle size around 15 nm while the second method produced SnO 2 nano rod with length and width of 570 nm and 55 nm respectively. Energy gap values for SnO 2 nanospheres and nano rods were 4.38 and 4.34 eV respectively. (author)

On quantum mechanics for macroscopic systems

International Nuclear Information System (INIS)

Primas, H.

1992-01-01

The parable of Schroedinger's cat may lead to several up-to date questions: how to treat open systems in quantum theory, how to treat thermodynamically irreversible processes in the quantum mechanics framework, how to explain, following the quantum theory, the existence, phenomenologically evident, of classical observables, what implies the predicted existence by the quantum theory of non localized macroscopic material object ?

Macroscopic quantum mechanics: theory and experimental concepts of optomechanics

International Nuclear Information System (INIS)

Chen Yanbei

2013-01-01

Rapid experimental progress has recently allowed the use of light to prepare macroscopic mechanical objects into nearly pure quantum states. This research field of quantum optomechanics opens new doors towards testing quantum mechanics, and possibly other laws of physics, in new regimes. In the first part of this article, I will review a set of techniques of quantum measurement theory that are often used to analyse quantum optomechanical systems. Some of these techniques were originally designed to analyse how a classical driving force passes through a quantum system, and can eventually be detected with an optimal signal-to-noise ratio—while others focus more on the quantum-state evolution of a mechanical object under continuous monitoring. In the second part of this article, I will review a set of experimental concepts that will demonstrate quantum mechanical behaviour of macroscopic objects—quantum entanglement, quantum teleportation and the quantum Zeno effect. Taking the interplay between gravity and quantum mechanics as an example, I will review a set of speculations on how quantum mechanics can be modified for macroscopic objects, and how these speculations—and their generalizations—might be tested by optomechanics. (invited review)

Measurements of effective total macroscopic cross sections and effective energy of continuum beam

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, Hisao [Rikkyo Univ., Yokosuka, Kanagawa (Japan). Inst. for Atomic Energy

1998-03-01

Two practically useful quantities are introduced in this study to characterize a continuum neutron beam and to describe transmission phenomena of the beam in field of quantitative neutron radiography: an effective energy instead of a peak energy or a mean energy of the spectrum and an effective total macroscopic (ETM) cross section instead of a total macroscopic (TM) cross section defined at the monochromatic energy. The effective energy was evaluated by means of energy dependence of ETM cross section. To realize the method a beam quality indicator (BQI) has been proposed recently. Several effective energies were measured for non-filtered, filtered neutron beams, and outputs of neutron guide tubes in world by the BQI. A thermal neutron beam and three beams modulated by Pb filters with different thicknesses are studied to measure ETM cross sections for various materials and summarized in a table. Validity of the effective energy determined by the BQI is discussed relating with ETM cross sections of materials. (author)

Considerations for the independent reaction times and step-by-step methods for radiation chemistry simulations

Science.gov (United States)

Plante, Ianik; Devroye, Luc

2017-10-01

Ionizing radiation interacts with the water molecules of the tissues mostly by ionizations and excitations, which result in the formation of the radiation track structure and the creation of radiolytic species such as H.,.OH, H2, H2O2, and e-aq. After their creation, these species diffuse and may chemically react with the neighboring species and with the molecules of the medium. Therefore radiation chemistry is of great importance in radiation biology. As the chemical species are not distributed homogeneously, the use of conventional models of homogeneous reactions cannot completely describe the reaction kinetics of the particles. Actually, many simulations of radiation chemistry are done using the Independent Reaction Time (IRT) method, which is a very fast technique to calculate radiochemical yields but which do not calculate the positions of the radiolytic species as a function of time. Step-by-step (SBS) methods, which are able to provide such information, have been used only sparsely because these are time-consuming in terms of calculation. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry. The SBS and IRT methods are both based on the Green's functions of the diffusion equation (GFDE). In this paper, several sampling algorithms of the GFDE and for the IRT method are presented. We show that the IRT and SBS methods are exactly equivalent for 2-particles systems for diffusion and partially diffusion-controlled reactions between non-interacting particles. We also show that the results obtained with the SBS simulation method with periodic boundary conditions are in agreement with the predictions by classical reaction kinetics theory, which is an important step towards using this method for modelling of biochemical networks and metabolic pathways involved in oxidative stress. Finally, the first simulation results obtained with the code RITRACKS (Relativistic Ion Tracks) are presented.

Fluctuations in macroscopically agitated plasma:quasiparticles and effective temperature

International Nuclear Information System (INIS)

Sosenko, P.P.; Gresillon, D.

1994-01-01

Fluctuations in the plasma, in which macroscopic fluid-like motion is agitated due to large-scale and low-frequency electro-magnetic fields, are studied. Such fields can be produced by external factors or internally, for example due to turbulence. Fluctuation spectral distributions are calculated with regard to the renormalization of the transition probability for a test-particle and of the test-particle shielding. If the correlation length for the random fluid-like motion is large as compared to the fluctuation scale lengths, then the fluctuation spectral distributions can be explained in terms of quasiparticles originating from macroscopic plasma agitation and of an effective temperature

Macroscopic description of isoscalar giant multipole resonances

International Nuclear Information System (INIS)

Nix, J.R.; Sierk, A.J.

1980-01-01

On the basis of a simple macroscopic model, we calculate the isoscalar giant-resonance energy as a function of mass number and multipole degree. The restoring force is determined from the distortion of the Fermi surface, and the inertia is determined for the incompressible, irrotational flow of nucleons with unit effective mass. With no adjustable parameters, the resulting closed expression reproduces correctly the available experimental data, namely the magnitude and dependence upon mass number of the giant quadrupole energy and the magnitude of the giant octupole energy for 208 Pb. We also calculate the isoscalar giant-resonance width as a function of mass number and multipole degree for various macroscopic damping mechanisms, including two-body viscosity, one-body dissipation, and modified one-body dissipation. None of these damping mechanisms reproduces correctly all features of the available experimental data, namely the magnitude and dependence upon mass number of the giant quadrupole width and the magnitude of the giant octupole width for 208 Pb

Physicists bag Chemistry Nobel for microscopy method

Science.gov (United States)

Johnston, Hamish

2017-11-01

The 2017 Nobel Prize for Chemistry has been given to Jacques Dubochet, Joachim Frank and Richard Henderson “for developing cryo-electron microscopy for the high-resolution structure determination of biomolecules in solution”.

Quantum mechanics versus macroscopic realism: Is the flux there when nobody looks

International Nuclear Information System (INIS)

Leggett, A.J.; Garg, A.

1985-01-01

It is shown that, in the contect of an idealized ''macroscopic quantum coherence'' experiment, the prediction of quantum mechanics are incompattible with the conjunction of two general assimptions which are designated ''macroscopic realism'' and ''noninvasive measurability at the macroscopiclevel.'' The conditions under which quantum mechanics can be tested against these assumptions in a realistic experiment are discussed

Variational methods for direct/inverse problems of atmospheric dynamics and chemistry

Science.gov (United States)

Penenko, Vladimir; Penenko, Alexey; Tsvetova, Elena

2013-04-01

We present a variational approach for solving direct and inverse problems of atmospheric hydrodynamics and chemistry. It is important that the accurate matching of numerical schemes has to be provided in the chain of objects: direct/adjoint problems - sensitivity relations - inverse problems, including assimilation of all available measurement data. To solve the problems we have developed a new enhanced set of cost-effective algorithms. The matched description of the multi-scale processes is provided by a specific choice of the variational principle functionals for the whole set of integrated models. Then all functionals of variational principle are approximated in space and time by splitting and decomposition methods. Such approach allows us to separately consider, for example, the space-time problems of atmospheric chemistry in the frames of decomposition schemes for the integral identity sum analogs of the variational principle at each time step and in each of 3D finite-volumes. To enhance the realization efficiency, the set of chemical reactions is divided on the subsets related to the operators of production and destruction. Then the idea of the Euler's integrating factors is applied in the frames of the local adjoint problem technique [1]-[3]. The analytical solutions of such adjoint problems play the role of integrating factors for differential equations describing atmospheric chemistry. With their help, the system of differential equations is transformed to the equivalent system of integral equations. As a result we avoid the construction and inversion of preconditioning operators containing the Jacobi matrixes which arise in traditional implicit schemes for ODE solution. This is the main advantage of our schemes. At the same time step but on the different stages of the "global" splitting scheme, the system of atmospheric dynamic equations is solved. For convection - diffusion equations for all state functions in the integrated models we have developed the

Macroscopic charge quantization in single-electron devices

NARCIS (Netherlands)

Burmistrov, I.S.; Pruisken, A.M.M.

2010-01-01

In a recent paper by the authors [I. S. Burmistrov and A. M. M. Pruisken, Phys. Rev. Lett. 101, 056801 (2008)] it was shown that single-electron devices (single-electron transistor or SET) display "macroscopic charge quantization" which is completely analogous to the quantum Hall effect observed on

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

Full Text Available The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek

2015-06-12

The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

Searching for the nanoscopic–macroscopic boundary

Energy Technology Data Exchange (ETDEWEB)

Velásquez, E.A. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Investigación en Modelamiento y Simulación Computacional, Universidad de San Buenaventura Sec. Medellín, A.A. 5222, Medellín (Colombia); Altbir, D. [Departamento de Física, Universidad de Santiago de Chile (USACH), CEDENNA, Santiago (Chile); Mazo-Zuluaga, J. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Duque, L.F. [GICM and GES Groups, Instituto de Física-FCEN, Universidad de Antioquia UdeA, Calle 70 No. 52-21 Medellín (Colombia); Grupo de Física Teórica, Aplicada y Didáctica, Facultad de Ciencias Exactas y Aplicadas Instituto Tecnológico Metropolitano, Medellín (Colombia); Mejía-López, J., E-mail: jmejia@puc.cl [Facultad de Física, Pontificia Universidad Católica de Chile, CEDENNA, Santiago (Chile)

2013-12-15

Several studies have focused on the size-dependent properties of elements, looking for a unique definition of the nanoscopic–macroscopic boundary. By using a novel approach consisting of an energy variational method combined with a quantum Heisenberg model, here we address the size at which the ordering temperature of a magnetic nanoparticle reaches its bulk value. We consider samples with sizes in the range 1–500 nm, as well as several geometries and crystalline lattices and observe that, contrarily to what is commonly argued, the nanoscopic-microscopic boundary depends on both factors: shape and crystalline structure. This suggests that the surface-to-volume ratio is not the unique parameter that defines the behavior of a nanometric sample whenever its size increases reaching the bulk dimension. Comparisons reveal very good agreement with experimental evidence with differences less than 2%. Our results have broad implications for practical issues in measurements on systems at the nanometric scale. - Highlights: • A novel quantum-Heisenberg variational energy method is implemented. • The asymptotic behavior toward the thermodynamic limit is explored. • An important dependence of the nano-bulk boundary on the geometry is found. • And also an important dependence on the crystalline lattice. • We obtain a very good agreement with experimental evidence with differences <2%.

Effect of Chemistry Triangle Oriented Learning Media on Cooperative, Individual and Conventional Method on Chemistry Learning Result

Science.gov (United States)

Latisma D, L.; Kurniawan, W.; Seprima, S.; Nirbayani, E. S.; Ellizar, E.; Hardeli, H.

2018-04-01

The purpose of this study was to see which method are well used with the Chemistry Triangle-oriented learning media. This quasi experimental research involves first grade of senior high school students in six schools namely each two SMA N in Solok city, in Pasaman and two SMKN in Pariaman. The sampling technique was done by Cluster Random Sampling. Data were collected by test and analyzed by one-way anova and Kruskall Wallish test. The results showed that the high school students in Solok learning taught by cooperative method is better than the results of student learning taught by conventional and Individual methods, both for students who have high initial ability and low-ability. Research in SMK showed that the overall student learning outcomes taught by conventional method is better than the student learning outcomes taught by cooperative and individual methods. Student learning outcomes that have high initial ability taught by individual method is better than student learning outcomes that are taught by cooperative method and for students who have low initial ability, there is no difference in student learning outcomes taught by cooperative, individual and conventional methods. Learning in high school in Pasaman showed no significant difference in learning outcomes of the three methods undertaken.

Monitoring road traffic congestion using a macroscopic traffic model and a statistical monitoring scheme

KAUST Repository

Zeroual, Abdelhafid; Harrou, Fouzi; Sun, Ying; Messai, Nadhir

2017-01-01

Monitoring vehicle traffic flow plays a central role in enhancing traffic management, transportation safety and cost savings. In this paper, we propose an innovative approach for detection of traffic congestion. Specifically, we combine the flexibility and simplicity of a piecewise switched linear (PWSL) macroscopic traffic model and the greater capacity of the exponentially-weighted moving average (EWMA) monitoring chart. Macroscopic models, which have few, easily calibrated parameters, are employed to describe a free traffic flow at the macroscopic level. Then, we apply the EWMA monitoring chart to the uncorrelated residuals obtained from the constructed PWSL model to detect congested situations. In this strategy, wavelet-based multiscale filtering of data has been used before the application of the EWMA scheme to improve further the robustness of this method to measurement noise and reduce the false alarms due to modeling errors. The performance of the PWSL-EWMA approach is successfully tested on traffic data from the three lane highway portion of the Interstate 210 (I-210) highway of the west of California and the four lane highway portion of the State Route 60 (SR60) highway from the east of California, provided by the Caltrans Performance Measurement System (PeMS). Results show the ability of the PWSL-EWMA approach to monitor vehicle traffic, confirming the promising application of this statistical tool to the supervision of traffic flow congestion.

Monitoring road traffic congestion using a macroscopic traffic model and a statistical monitoring scheme

KAUST Repository

Zeroual, Abdelhafid

2017-08-19

Monitoring vehicle traffic flow plays a central role in enhancing traffic management, transportation safety and cost savings. In this paper, we propose an innovative approach for detection of traffic congestion. Specifically, we combine the flexibility and simplicity of a piecewise switched linear (PWSL) macroscopic traffic model and the greater capacity of the exponentially-weighted moving average (EWMA) monitoring chart. Macroscopic models, which have few, easily calibrated parameters, are employed to describe a free traffic flow at the macroscopic level. Then, we apply the EWMA monitoring chart to the uncorrelated residuals obtained from the constructed PWSL model to detect congested situations. In this strategy, wavelet-based multiscale filtering of data has been used before the application of the EWMA scheme to improve further the robustness of this method to measurement noise and reduce the false alarms due to modeling errors. The performance of the PWSL-EWMA approach is successfully tested on traffic data from the three lane highway portion of the Interstate 210 (I-210) highway of the west of California and the four lane highway portion of the State Route 60 (SR60) highway from the east of California, provided by the Caltrans Performance Measurement System (PeMS). Results show the ability of the PWSL-EWMA approach to monitor vehicle traffic, confirming the promising application of this statistical tool to the supervision of traffic flow congestion.

Characterization of Mangifera indica cultivars in Thailand based on macroscopic, microscopic, and genetic characters

Directory of Open Access Journals (Sweden)

Aunyachulee Ganogpichayagrai

2016-01-01

Full Text Available Thai mango cultivars are classified into six groups plus one miscellaneous group according to germplasm database for mango. Characterization is important for conservation and the development of Thai mango cultivars. This study investigated macroscopic, microscopic leaf characteristics, and genetic relationship among 17 cultivars selected from six groups of mango in Thailand. Selected mango samples were obtained from three different locations in Thailand (n = 57. They were observed for their leaf and fruit macroscopic characteristics. Leaf measurement for the stomatal number, veinlet termination number, and palisade ratio was evaluated under a microscope attached with digital camera. DNA fingerprint was performed using CTAB extraction of DNA and inter-simple sequence repeat (ISSR amplification. Forty-five primers were screened; then, seven primers that amplified the reproducible band patterns were selected to amplified and generate dendrogram by Unweighted Pair-Group Method with Arithmetic Average. These selected 17 Thai mango cultivars had individually macroscopic characteristics based on fruits and leaves. For microscopic characteristics, the stomatal number, veinlet termination number, and palisade ratio were slightly differentiable. For genetic identification, 78 bands of 190-2660 bps were amplified, of which 82.05% were polymorphic. The genetic relationship among these cultivars was demonstrated and categorized into two main clusters. It was shown that ISSR markers could be useful for Thai mango cultivar identification.

Large-scale photochemical reactions of nanocrystalline suspensions: a promising green chemistry method.

Science.gov (United States)

Veerman, Marcel; Resendiz, Marino J E; Garcia-Garibay, Miguel A

2006-06-08

Photochemical reactions in the solid state can be scaled up from a few milligrams to 10 grams by using colloidal suspensions of a photoactive molecular crystal prepared by the solvent shift method. Pure products are recovered by filtration, and the use of H(2)O as a suspension medium makes this method a very attractive one from a green chemistry perspective. Using the photodecarbonylation of dicumyl ketone (DCK) as a test system, we show that reaction efficiencies in colloidal suspensions rival those observed in solution. [reaction: see text

Determination of crystallographic and macroscopic orientation of planar structures in TEM

DEFF Research Database (Denmark)

Huang, X.; Liu, Q.

1998-01-01

With the aid of a double-tilt holder in a transmission electron microscope (TEM), simple methods are described for determination of the crystallographic orientation of a planar structure and for calculation of the macroscopic orientation of the planar structure. The correlation between a planar...... structure and a crystallographic plane can be found by comparing the differences in their trace directions on the projection plane and inclination angles with respect to that plane. The angles between the traces of planar structures and the sample axis measured from the TEM micrographs, which have been...

Testing quantum mechanics against macroscopic realism using the output of χ(2) nonlinearity

International Nuclear Information System (INIS)

Podoshvedov, Sergey A.; Kim, Jaewan

2006-01-01

We suggest an all-optical scheme to generate entangled superposition of a single photon with macroscopic entangled states for testing macroscopic realism. The scheme consists of source of single photons, a Mach-Zehnder interferometer in routes of which a system of coupled-down converters with type-I phase matching is inserted, and a beam splitter for the other auxiliary modes of the scheme. We use quantization of the pumping modes, depletion of the coherent states passing through the system, and interference effect in the pumping modes in the process of erasing which-path information of the single-photon on exit from the Mach-Zehnder interferometer. We show the macroscopic fields of the output superposition are distinguishable states. This scheme generates macroscopic entangled state that violates Bell's inequality. Moreover, the detailed analysis concerning change of amplitudes of entangled superposition by means of repeating this process many times is accomplished. We show our scheme works without photon number resolving detection and it is robust to detector inefficiency

Measurement-Induced Macroscopic Superposition States in Cavity Optomechanics

DEFF Research Database (Denmark)

Hoff, Ulrich Busk; Kollath-Bönig, Johann; Neergaard-Nielsen, Jonas Schou

2016-01-01

A novel protocol for generating quantum superpositions of macroscopically distinct states of a bulk mechanical oscillator is proposed, compatible with existing optomechanical devices operating in the bad-cavity limit. By combining a pulsed optomechanical quantum nondemolition (QND) interaction...

A method for the direct numerical simulation of hypersonic boundary-layer instability with finite-rate chemistry

International Nuclear Information System (INIS)

Marxen, Olaf; Magin, Thierry E.; Shaqfeh, Eric S.G.; Iaccarino, Gianluca

2013-01-01

A new numerical method is presented here that allows to consider chemically reacting gases during the direct numerical simulation of a hypersonic fluid flow. The method comprises the direct coupling of a solver for the fluid mechanical model and a library providing the physio-chemical model. The numerical method for the fluid mechanical model integrates the compressible Navier–Stokes equations using an explicit time advancement scheme and high-order finite differences. This Navier–Stokes code can be applied to the investigation of laminar-turbulent transition and boundary-layer instability. The numerical method for the physio-chemical model provides thermodynamic and transport properties for different gases as well as chemical production rates, while here we exclusively consider a five species air mixture. The new method is verified for a number of test cases at Mach 10, including the one-dimensional high-temperature flow downstream of a normal shock, a hypersonic chemical reacting boundary layer in local thermodynamic equilibrium and a hypersonic reacting boundary layer with finite-rate chemistry. We are able to confirm that the diffusion flux plays an important role for a high-temperature boundary layer in local thermodynamic equilibrium. Moreover, we demonstrate that the flow for a case previously considered as a benchmark for the investigation of non-equilibrium chemistry can be regarded as frozen. Finally, the new method is applied to investigate the effect of finite-rate chemistry on boundary layer instability by considering the downstream evolution of a small-amplitude wave and comparing results with those obtained for a frozen gas as well as a gas in local thermodynamic equilibrium

Analytical chemistry in semiconductor manufacturing: Techniques, role of nuclear methods and need for quality control

International Nuclear Information System (INIS)

1989-06-01

This report is the result of a consultants meeting held in Gaithersburg, USA, 2-3 October 1987. The meeting was hosted by the National Bureau of Standards and Technology, and it was attended by 18 participants from Denmark, Finland, India, Japan, Norway, People's Republic of China and the USA. The purpose of the meeting was to assess the present status of analytical chemistry in semiconductor manufacturing, the role of nuclear analytical methods and the need for internationally organized quality control of the chemical analysis. The report contains the three presentations in full and a summary report of the discussions. Thus, it gives an overview of the need of analytical chemistry in manufacturing of silicon based devices, the use of nuclear analytical methods, and discusses the need for quality control. Refs, figs and tabs

Macroscopic sizes of field of superrelativistic charges

International Nuclear Information System (INIS)

Strel'tsov, V.N.

1995-01-01

Based on the equation of Lienard-Wiechert equipotentials, it is shown that the field of superrelativistic charges reaches macroscopic sizes (e.g., R || = 2 m at E e = 50 GeV). This phenomenon serves an initial cause of the known considerable growth of formation length at high energies. 3 refs., 1 tab

Emergence of an urban traffic macroscopic fundamental diagram

DEFF Research Database (Denmark)

Ranjan, Abhishek; Fosgerau, Mogens; Jenelius, Erik

2016-01-01

This paper examines mild conditions under which a macroscopic fundamental diagram (MFD) emerges, relating space-averaged speed to occupancy in some area. These conditions are validated against empirical data. We allow local speedoccupancy relationships and, in particular, require no equilibrating...

Macroscopic behavior of fast reactor fuel subjected to simulated thermal transients

International Nuclear Information System (INIS)

Fenske, G.R.; Emerson, J.E.; Savoie, F.E.

1983-06-01

High-speed cinematography has been used to characterize the macroscopic behavior of irradiated and unirradiated fuel subjected to thermal transients prototypical of fast reactor transients. The results demonstrate that as the cladding melts, the fuel can disperse via spallation if the fuel contains in excess of approx. 16 μmoles/gm of fission gas. Once the cladding has melted, the macroscopic behavior (time to failure and dispersive nature) was strongly influenced by the presence of volatile fission products and the heating rate

Macroscopic effects of the quantum trace anomaly

International Nuclear Information System (INIS)

Mottola, Emil; Vaulin, Ruslan

2006-01-01

The low energy effective action of gravity in any even dimension generally acquires nonlocal terms associated with the trace anomaly, generated by the quantum fluctuations of massless fields. The local auxiliary field description of this effective action in four dimensions requires two additional scalar fields, not contained in classical general relativity, which remain relevant at macroscopic distance scales. The auxiliary scalar fields depend upon boundary conditions for their complete specification, and therefore carry global information about the geometry and macroscopic quantum state of the gravitational field. The scalar potentials also provide coordinate invariant order parameters describing the conformal behavior and divergences of the stress tensor on event horizons. We compute the stress tensor due to the anomaly in terms of its auxiliary scalar potentials in a number of concrete examples, including the Rindler wedge, the Schwarzschild geometry, and de Sitter spacetime. In all of these cases, a small number of classical order parameters completely determine the divergent behaviors allowed on the horizon, and yield qualitatively correct global approximations to the renormalized expectation value of the quantum stress tensor

Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.

Science.gov (United States)

Moitessier, Nicolas; Pottel, Joshua; Therrien, Eric; Englebienne, Pablo; Liu, Zhaomin; Tomberg, Anna; Corbeil, Christopher R

2016-09-20

Computational methods for docking small molecules to proteins are prominent in drug discovery. There are hundreds, if not thousands, of documented examples-and several pertinent cases within our research program. Fifteen years ago, our first docking-guided drug design project yielded nanomolar metalloproteinase inhibitors and illustrated the potential of structure-based drug design. Subsequent applications of docking programs to the design of integrin antagonists, BACE-1 inhibitors, and aminoglycosides binding to bacterial RNA demonstrated that available docking programs needed significant improvement. At that time, docking programs primarily considered flexible ligands and rigid proteins. We demonstrated that accounting for protein flexibility, employing displaceable water molecules, and using ligand-based pharmacophores improved the docking accuracy of existing methods-enabling the design of bioactive molecules. The success prompted the development of our own program, Fitted, implementing all of these aspects. The primary motivation has always been to respond to the needs of drug design studies; the majority of the concepts behind the evolution of Fitted are rooted in medicinal chemistry projects and collaborations. Several examples follow: (1) Searching for HDAC inhibitors led us to develop methods considering drug-zinc coordination and its effect on the pKa of surrounding residues. (2) Targeting covalent prolyl oligopeptidase (POP) inhibitors prompted an update to Fitted to identify reactive groups and form bonds with a given residue (e.g., a catalytic residue) when the geometry allows it. Fitted-the first fully automated covalent docking program-was successfully applied to the discovery of four new classes of covalent POP inhibitors. As a result, efficient stereoselective syntheses of a few screening hits were prioritized rather than synthesizing large chemical libraries-yielding nanomolar inhibitors. (3) In order to study the metabolism of POP inhibitors by

Mechanical Behaviour of Materials Volume 1 Micro- and Macroscopic Constitutive Behaviour

CERN Document Server

François, Dominique; Zaoui, André

2012-01-01

Advances in technology are demanding ever-increasing mastery over the materials being used: the challenge is to gain a better understanding of their behaviour, and more particularly of the relations between their microstructure and their macroscopic properties.   This work, of which this is the first volume, aims to provide the means by which this challenge may be met. Starting from the mechanics of deformation, it develops the laws governing macroscopic behaviour – expressed as the constitutive equations – always taking account of the physical phenomena which underlie rheological behaviour. The most recent developments are presented, in particular those concerning heterogeneous materials such as metallic alloys, polymers and composites. Each chapter is devoted to one of the major classes of material behaviour.   As the subtitles indicate, Volume 1 deals with micro- and macroscopic constitutive behaviour and Volume 2 with damage and fracture mechanics. A third volume will be devoted to exercises and the...

Discrete mathematical data analysis approach: a valuable assessment method for sustainable chemistry.

Science.gov (United States)

Voigt, Kristina; Scherb, Hagen; Bruggemann, Rainer; Schramm, Karl-Werner

2013-06-01

Sustainable/Green Chemistry is a chemical philosophy encouraging the design of products and processes that reduce or eliminate the use and generation of hazardous substances. In this respect, metrical scientific disciplines like Chemometrics are important, because they indicate criteria for chemicals being hazardous or not. We demonstrated that sustainable principles in the disciplines Green Chemistry, Green Engineering, and Sustainability in Information Technology have main aspects in common. The use of non-hazardous chemicals or the more efficient use of chemical substances is one of these aspects. We take a closer look on the topic of the hazards of chemical substances. Our research focuses on data analyses concerning environmental chemicals named Persistent Organic Pollutants (POPs), which are found all over the world and pose a large risk to environment as well as to humans. The evaluation of the data is a major step in the elucidation of the danger of these chemicals. The data analysis method demonstrated here, is based on the theory of partially ordered sets and provides a generalized ranking. In our approach we investigate data sets of breast milk samples of women in Denmark, Finland, and Turkey which contained measurable levels of 20 POPs. The goal is twofold: On the one side the hazardous chemicals are to be identified and on the other side possible differences among the three nations should be detected, because in that case possible different uptake mechanisms may be supposed. The data analysis is performed by the free available software package PyHasse, written by the third author. We conclude that the data analysis method can well be applied for distinguishing between more or less dangerous existing chemicals. Furthermore, it should be used in sustainable chemistry in the same manner for detecting more and less sustainable chemicals. Copyright © 2013 Elsevier B.V. All rights reserved.

High temperature water chemistry monitoring

International Nuclear Information System (INIS)

Aaltonen, P.

1992-01-01

Almost all corrosion phenomena in nuclear power plants can be prevented or at least damped by water chemistry control or by the change of water chemistry control or by the change of water chemistry. Successful water chemistry control needs regular and continuous monitoring of such water chemistry parameters like dissolved oxygen content, pH, conductivity and impurity contents. Conventionally the monitoring is carried out at low pressures and temperatures, which method, however, has some shortcomings. Recently electrodes have been developed which enables the direct monitoring at operating pressures and temperatures. (author). 2 refs, 5 figs

Macroscopic domain formation in the platelet plasma membrane

DEFF Research Database (Denmark)

Bali, Rachna; Savino, Laura; Ramirez, Diego A.

2009-01-01

There has been ample debate on whether cell membranes can present macroscopic lipid domains as predicted by three-component phase diagrams obtained by fluorescence microscopy. Several groups have argued that membrane proteins and interactions with the cytoskeleton inhibit the formation of large d...

Berkeley Experiments on Superfluid Macroscopic Quantum Effects

International Nuclear Information System (INIS)

Packard, Richard

2006-01-01

This paper provides a brief history of the evolution of the Berkeley experiments on macroscopic quantum effects in superfluid helium. The narrative follows the evolution of the experiments proceeding from the detection of single vortex lines to vortex photography to quantized circulation in 3He to Josephson effects and superfluid gyroscopes in both 4He and 3He

A macroscopic constitutive model of temperature-induced phase transition of polycrystalline Ni2MnGa by directional solidification

International Nuclear Information System (INIS)

Zhu, Yuping; Gu, Yunling; Liu, Hongguang

2015-01-01

Directional solidification technology has been widely used to improve the properties of polycrystalline Ni 2 MnGa materials. Mechanical training can adjust the internal organizational structures of the materials, reduce the stress of twin boundaries motion, and then result in larger strain at lower outfield levels. In this paper, we test the microscopic structure of Ni 2 MnGa polycrystalline ferromagnetic shape memory alloy produced by directional solidification and compress it along two axes successively for mechanical training. The influences of pre-compressive stresses on the temperature-induced strains are analyzed. The macroscopic mechanical behaviors show anisotropy. According to the generating mechanism of the macroscopic strain, a three-dimensional constitutive model is established. Based on thermodynamic method, the kinetic equations of the martensitic transformation and inverse transformation are presented considering the driving force and energy dissipation. The prediction curves of temperature-induce strains along two different directions are investigated. And the results coincide well with the experiment data. It well explains the macroscopic anisotropy mechanical behaviors and fits for using in engineering

Macroscopic Study of the Isthmus of the Thyroid Gland in Bangladeshi People: A Postmortem Study

Directory of Open Access Journals (Sweden)

Fakhrul Amin Mohammad Hasanul Banna

2017-01-01

Full Text Available Background: The position and size of isthmus of thyroid gland varies considerably in human with age, sex, physiologic state, race and geographical location and sometimes the isthmus may be absent. So this study was designed to find out the macroscopic differences in isthmus of thyroid gland of different age and sex groups in Bangladeshi people. Objective: To record the macroscopic characteristics of isthmus of thyroid gland with advancing age in both sexes with a view to help establishing normal standard of Bangladeshi people. Materials and Methods: This descriptive cross-sectional study was carried out on 54 autopsied human thyroid glands aged 5 to 65 years. Thyroid glands were collected from unclaimed dead bodies autopsied in the morgue of Sylhet M. A. G. Osmani Medical College, Sylhet. The collected specimens were divided into groups –– A (20 years and below, B (21 to 50 years and C (50 years and above. All specimens were examined morphologically by careful gross dissection method. Results: The isthmus was absent in 5.56% cases. In most of the cases (35.29% it was against the 1st–4th tracheal rings. There was significant difference in length between Group A and Group C (p<0.05 and in breadth between Group A and Group C and between Group B and Group C (p<0.05. No significant difference was found in length, breadth and thickness of isthmus of the thyroid gland between males and females. Conclusion: The presence or absence, positional change and variation in gross dimension of isthmus of thyroid gland were evident in human. The macroscopic difference was found with increasing age but not with sex.

From trace chemistry to single atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.

1993-01-01

Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

Scaling from single molecule to macroscopic adhesion at polymer/metal interfaces.

Science.gov (United States)

Utzig, Thomas; Raman, Sangeetha; Valtiner, Markus

2015-03-10

Understanding the evolution of macroscopic adhesion based on fundamental molecular interactions is crucial to designing strong and smart polymer/metal interfaces that play an important role in many industrial and biomedical applications. Here we show how macroscopic adhesion can be predicted on the basis of single molecular interactions. In particular, we carry out dynamic single molecule-force spectroscopy (SM-AFM) in the framework of Bell-Evans' theory to gain information about the energy barrier between the bound and unbound states of an amine/gold junction. Furthermore, we use Jarzynski's equality to obtain the equilibrium ground-state energy difference of the amine/gold bond from these nonequilibrium force measurements. In addition, we perform surface forces apparatus (SFA) experiments to measure macroscopic adhesion forces at contacts where approximately 10(7) amine/gold bonds are formed simultaneously. The SFA approach provides an amine/gold interaction energy (normalized by the number of interacting molecules) of (36 ± 1)k(B)T, which is in excellent agreement with the interaction free energy of (35 ± 3)k(B)T calculated using Jarzynski's equality and single-molecule AFM experiments. Our results validate Jarzynski's equality for the field of polymer/metal interactions by measuring both sides of the equation. Furthermore, the comparison of SFA and AFM shows how macroscopic interaction energies can be predicted on the basis of single molecular interactions, providing a new strategy to potentially predict adhesive properties of novel glues or coatings as well as bio- and wet adhesion.

Thermoluminescence and photoluminescence properties of NaCl:Mn, NaCL:Cu nano-particles produced using co-precipitation and sono-chemistry methods

Energy Technology Data Exchange (ETDEWEB)

Mehrabi, M. [Faculty of Physics, University of Kashan, Kashan (Iran, Islamic Republic of); Zahedifar, M. [Faculty of Physics, University of Kashan, Kashan (Iran, Islamic Republic of); Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Saeidi-Sogh, Z. [Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Ramazani-Moghaddam-Arani, A., E-mail: ramazmo@kashanu.ac.ir [Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Sadeghi, E. [Faculty of Physics, University of Kashan, Kashan (Iran, Islamic Republic of); Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Harooni, S. [Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of)

2017-02-21

The NaCl: Cu and NaCl: Mn nanoparticles (NPs) were produced by co-precipitation and sono-chemistry methods and their thermoluminescence (TL) and photoluminescence (PL) properties were studied. By decreasing the particles size a considerable increase in sensitivity of the samples to high dose gamma radiation was observed. The NPs produced by sono-chemistry method have smaller size, homogeneous structure, more sensitivity to high gamma radiation and less fading than of those produced by co-precipitation method.

Spins in chemistry

CERN Document Server

McWeeny, Roy

2004-01-01

Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp

Departure of microscopic friction from macroscopic drag in molecular fluid dynamics

Energy Technology Data Exchange (ETDEWEB)

Hanasaki, Itsuo [Institute of Engineering, Tokyo University of Agriculture and Technology, Naka-cho 2-24-16, Koganei, Tokyo 184-8588 (Japan); Fujiwara, Daiki; Kawano, Satoyuki, E-mail: kawano@me.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Machikaneyama-cho 1-3, Toyonaka, Osaka 560-8531 (Japan)

2016-03-07

Friction coefficient of the Langevin equation and drag of spherical macroscopic objects in steady flow at low Reynolds numbers are usually regarded as equivalent. We show that the microscopic friction can be different from the macroscopic drag when the mass is taken into account for particles with comparable scale to the surrounding fluid molecules. We illustrate it numerically by molecular dynamics simulation of chloride ion in water. Friction variation by the atomistic mass effect beyond the Langevin regime can be of use in the drag reduction technology as well as the electro or thermophoresis.

Generating macroscopic chaos in a network of globally coupled phase oscillators

Science.gov (United States)

So, Paul; Barreto, Ernest

2011-01-01

We consider an infinite network of globally coupled phase oscillators in which the natural frequencies of the oscillators are drawn from a symmetric bimodal distribution. We demonstrate that macroscopic chaos can occur in this system when the coupling strength varies periodically in time. We identify period-doubling cascades to chaos, attractor crises, and horseshoe dynamics for the macroscopic mean field. Based on recent work that clarified the bifurcation structure of the static bimodal Kuramoto system, we qualitatively describe the mechanism for the generation of such complicated behavior in the time varying case. PMID:21974662

Macroscopic acoustoelectric charge transport in graphene

Science.gov (United States)

Bandhu, L.; Lawton, L. M.; Nash, G. R.

2013-09-01

We demonstrate macroscopic acoustoelectric transport in graphene, transferred onto piezoelectric lithium niobate substrates, between electrodes up to 500 μm apart. Using double finger interdigital transducers we have characterised the acoustoelectric current as a function of both surface acoustic wave intensity and frequency. The results are consistent with a relatively simple classical relaxation model, in which the acoustoelectric current is proportional to both the surface acoustic wave intensity and the attenuation of the wave caused by the charge transport.

Nuclear physics: Macroscopic aspects

International Nuclear Information System (INIS)

Swiatecki, W.J.

1993-12-01

A systematic macroscopic, leptodermous approach to nuclear statics and dynamics is described, based formally on the assumptions ℎ → 0 and b/R << 1, where b is the surface diffuseness and R the nuclear radius. The resulting static model of shell-corrected nuclear binding energies and deformabilities is accurate to better than 1 part in a thousand and yields a firm determination of the principal properties of the nuclear fluid. As regards dynamics, the above approach suggests that nuclear shape evolutions will often be dominated by dissipation, but quantitative comparisons with experimental data are more difficult than in the case of statics. In its simplest liquid drop version the model exhibits interesting formal connections to the classic astronomical problem of rotating gravitating masses

Analytical chemistry

International Nuclear Information System (INIS)

Choi, Jae Seong

1993-02-01

This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

Analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Choi, Jae Seong

1993-02-15

This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

Experimental observation of the quantum behavior of a macroscopic degree of freedom

International Nuclear Information System (INIS)

Devoret, M.H.; Martinis, J.M.; Esteve, D.

1986-08-01

At Berkeley a series of experiments have been performed, that demonstrates the quantum behavior of one macroscopic degree of freedom, namely the phase difference across a current biased Josephson junction. Here we will focus on the praticalities involved in such a demonstration. The emphasis is put on the particular procedures used to solve the two problems of noise shielding and parameter determination. To begin, a short description of the macroscopic system investigated, the current biased Josephson junction is given

Gold nanoparticles: role of size and surface chemistry on blood protein adsorption

Energy Technology Data Exchange (ETDEWEB)

Benetti, F., E-mail: filippo.benetti@unitn.it; Fedel, M. [BIOtech Research Centre (Italy); Minati, L.; Speranza, G. [Fondazione Bruno Kessler (Italy); Migliaresi, C. [BIOtech Research Centre (Italy)

2013-06-15

Material interaction with blood proteins is a critical issue, since it could influence the biological processes taking place in the body following implantation/injection. This is particularly important in the case of nanoparticles, where innovative properties, such as size and high surface to volume ratio can lead to a behavioral change with respect to bulk macroscopic materials and could be responsible for a potential risk for human health. The aim of this work was to compare gold nanoparticles (AuNP) and planar surfaces to study the role of surface curvature moving from the macro- to the nano-size in the process of blood protein adsorption. In the course of the study, different protocols were tested to optimize the analysis of protein adsorption on gold nanoparticles. AuNP with different size (10, 60 and 200 nm diameter) and surface coatings (citrate and polyethylene glycol) were carefully characterized. The stabilizing action of blood proteins adsorbed on AuNP was studied measuring the variation of size and solubility of the nanoparticles following incubation with single protein solutions (human serum albumin and fibrinogen) and whole blood plasma. In addition, we developed a method to elute proteins from AuNP to study the propensity of gold materials to adsorb plasma proteins in function of dimensional characteristics and surface chemistry. We showed a different efficacy of the various eluting media tested, proving that even the most aggressive agent cannot provide a complete detachment of the protein corona. Enhanced protein adsorption was evidenced on AuNP if compared to gold laminae (bare and PEGylated) used as macroscopic control, probably due to the superior AuNP surface reactivity.

Thermodynamical properties and thermoelastic coupling of complex macroscopic structure

International Nuclear Information System (INIS)

Fabbri, M.; Sacripanti, A.

1996-11-01

Gross qualitative/quantitative analysis about thermodynamical properties and thermoelastic coupling (or elastocaloric effect) of complex macroscopic structure (running shoes) is performed by infrared camera. The experimental results showed the achievability of a n industrial research project

Macroscopic reality and the dynamical reduction program

International Nuclear Information System (INIS)

Ghirardi, G.C.

1995-10-01

With reference to recently proposed theoretical models accounting for reduction in terms of a unified dynamics governing all physical processes, we analyze the problem of working out a worldview accommodating our knowledge about natural phenomena. We stress the relevant conceptual differences between the considered models and standard quantum mechanics. In spite of the fact that both theories describe individual physical systems within a genuine Hilbert space framework, the nice features of spontaneous reduction theories drastically limit the class of states which are dynamically stable. This allows one to work out a description of the world in terms of a mass density function in ordinary configuration space. A topology based on this function and differing radically from the one characterizing the Hilbert space is introduced and in terms of it the idea of similarity of macroscopic situations is made precise. Finally it is shown how the formalism and the proposed interpretation yield a natural criterion for establishing the psychophysical parallelism. The conclusion is that, within the considered theoretical models and at the nonrelativistic level, one can satisfy all sensible requirements for a consistent, unified, and objective description of reality at the macroscopic level. (author). 16 refs

Macroscopic reality and the dynamical reduction program

Energy Technology Data Exchange (ETDEWEB)

Ghirardi, G C

1995-10-01

With reference to recently proposed theoretical models accounting for reduction in terms of a unified dynamics governing all physical processes, we analyze the problem of working out a worldview accommodating our knowledge about natural phenomena. We stress the relevant conceptual differences between the considered models and standard quantum mechanics. In spite of the fact that both theories describe individual physical systems within a genuine Hilbert space framework, the nice features of spontaneous reduction theories drastically limit the class of states which are dynamically stable. This allows one to work out a description of the world in terms of a mass density function in ordinary configuration space. A topology based on this function and differing radically from the one characterizing the Hilbert space is introduced and in terms of it the idea of similarity of macroscopic situations is made precise. Finally it is shown how the formalism and the proposed interpretation yield a natural criterion for establishing the psychophysical parallelism. The conclusion is that, within the considered theoretical models and at the nonrelativistic level, one can satisfy all sensible requirements for a consistent, unified, and objective description of reality at the macroscopic level. (author). 16 refs.

comparative assessment of university chemistry undergraduate

African Journals Online (AJOL)

Temechegn

The areas of chemistry covered are Introductory, Inorganic, Physical, Organic, and Quantum and ... various specialisations like Pure and Applied Chemistry, Analytical ... even engineering disciplines, a degree in chemistry can be the starting point. .... It is also to show the relevance of the instructional methods relative to the.

Wave speeds in the macroscopic extended model for ultrarelativistic gases

Energy Technology Data Exchange (ETDEWEB)

Borghero, F., E-mail: borghero@unica.it [Dip. Matematica e Informatica, Università di Cagliari, Via Ospedale 72, 09124 Cagliari (Italy); Demontis, F., E-mail: fdemontis@unica.it [Dip. Matematica, Università di Cagliari, Viale Merello 92, 09123 Cagliari (Italy); Pennisi, S., E-mail: spennisi@unica.it [Dip. Matematica, Università di Cagliari, Via Ospedale 72, 09124 Cagliari (Italy)

2013-11-15

Equations determining wave speeds for a model of ultrarelativistic gases are investigated. This model is already present in literature; it deals with an arbitrary number of moments and it was proposed in the context of exact macroscopic approaches in Extended Thermodynamics. We find these results: the whole system for the determination of the wave speeds can be divided into independent subsystems which are expressed by linear combinations, through scalar coefficients, of tensors all of the same order; some wave speeds, but not all of them, are expressed by square roots of rational numbers; finally, we prove that these wave speeds for the macroscopic model are the same of those furnished by the kinetic model.

A macroscopic constitutive model of temperature-induced phase transition of polycrystalline Ni{sub 2}MnGa by directional solidification

Energy Technology Data Exchange (ETDEWEB)

Zhu, Yuping, E-mail: zhuyuping@126.com; Gu, Yunling; Liu, Hongguang

2015-02-25

Directional solidification technology has been widely used to improve the properties of polycrystalline Ni{sub 2}MnGa materials. Mechanical training can adjust the internal organizational structures of the materials, reduce the stress of twin boundaries motion, and then result in larger strain at lower outfield levels. In this paper, we test the microscopic structure of Ni{sub 2}MnGa polycrystalline ferromagnetic shape memory alloy produced by directional solidification and compress it along two axes successively for mechanical training. The influences of pre-compressive stresses on the temperature-induced strains are analyzed. The macroscopic mechanical behaviors show anisotropy. According to the generating mechanism of the macroscopic strain, a three-dimensional constitutive model is established. Based on thermodynamic method, the kinetic equations of the martensitic transformation and inverse transformation are presented considering the driving force and energy dissipation. The prediction curves of temperature-induce strains along two different directions are investigated. And the results coincide well with the experiment data. It well explains the macroscopic anisotropy mechanical behaviors and fits for using in engineering.

Macroscopic phase separation in high-temperature superconductors

Science.gov (United States)

Wen, Hai-Hu

2000-01-01

High-temperature superconductivity is recovered by introducing extra holes to the Cu-O planes, which initially are insulating with antiferromagnetism. In this paper I present data to show the macroscopic electronic phase separation that is caused by either mobile doping or electronic instability in the overdoped region. My results clearly demonstrate that the electronic inhomogeneity is probably a general feature of high-temperature superconductors. PMID:11027323

Stereodynamics: From elementary processes to macroscopic chemical reactions

Energy Technology Data Exchange (ETDEWEB)

Kasai, Toshio [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Che, Dock-Chil [Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Tsai, Po-Yu [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Department of Chemistry, National Chung Hsing University, Taichung 402, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Lin, King-Chuen [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Palazzetti, Federico [Scuola Normale Superiore, Pisa (Italy); Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, Vincenzo [Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Roma (Italy); Instituto de Fisica, Universidade Federal da Bahia, Salvador (Brazil)

2015-12-31

This paper aims at discussing new facets on stereodynamical behaviors in chemical reactions, i.e. the effects of molecular orientation and alignment on reactive processes. Further topics on macroscopic processes involving deviations from Arrhenius behavior in the temperature dependence of chemical reactions and chirality effects in collisions are also discussed.

Estimation of macroscopic elastic characteristics for hierarchical anisotropic solids based on probabilistic approach

Science.gov (United States)

Smolina, Irina Yu.

2015-10-01

Mechanical properties of a cable are of great importance in design and strength calculation of flexible cables. The problem of determination of elastic properties and rigidity characteristics of a cable modeled by anisotropic helical elastic rod is considered. These characteristics are calculated indirectly by means of the parameters received from statistical processing of experimental data. These parameters are considered as random quantities. With taking into account probable nature of these parameters the formulas for estimation of the macroscopic elastic moduli of a cable are obtained. The calculating expressions for macroscopic flexural rigidity, shear rigidity and torsion rigidity using the macroscopic elastic characteristics obtained before are presented. Statistical estimations of the rigidity characteristics of some cable grades are adduced. A comparison with those characteristics received on the basis of deterministic approach is given.

Chemistry and liquid chromatography methods for the analyses of primary oxidation products of triacylglycerols.

Science.gov (United States)

Zeb, A

2015-05-01

Triacylglycerols (TAGs) are one of the major components of the cells in higher biological systems, which can act as an energy reservoir in the living cells. The unsaturated fatty acid moiety is the key site of oxidation and formation of oxidation compounds. The TAG free radical generates several primary oxidation compounds. These include hydroperoxides, hydroxides, epidioxides, hydroperoxy epidioxides, hydroxyl epidioxides, and epoxides. The presence of these oxidized TAGs in the cell increases the chances of several detrimental processes. For this purpose, several liquid chromatography (LC) methods were reported in their analyses. This review is therefore focused on the chemistry, oxidation, extraction, and the LC methods reported in the analyses of oxidized TAGs. The studies on thin-layer chromatography were mostly focused on the total oxidized TAGs separation and employ hexane as major solvent. High-performance LC (HPLC) methods were discussed in details along with their merits and demerits. It was found that most of the HPLC methods employed isocratic elution with methanol and acetonitrile as major solvents with an ultraviolet detector. The coupling of HPLC with mass spectrometry (MS) highly increases the efficiency of analysis as well as enables reliable structural elucidation. The use of MS was found to be helpful in studying the oxidation chemistry of TAGs and needs to be extended to the complex biological systems.

A constitutive model and numerical simulation of sintering processes at macroscopic level

Science.gov (United States)

Wawrzyk, Krzysztof; Kowalczyk, Piotr; Nosewicz, Szymon; Rojek, Jerzy

2018-01-01

This paper presents modelling of both single and double-phase powder sintering processes at the macroscopic level. In particular, its constitutive formulation, numerical implementation and numerical tests are described. The macroscopic constitutive model is based on the assumption that the sintered material is a continuous medium. The parameters of the constitutive model for material under sintering are determined by simulation of sintering at the microscopic level using a micro-scale model. Numerical tests were carried out for a cylindrical specimen under hydrostatic and uniaxial pressure. Results of macroscopic analysis are compared against the microscopic model results. Moreover, numerical simulations are validated by comparison with experimental results. The simulations and preparation of the model are carried out by Abaqus FEA - a software for finite element analysis and computer-aided engineering. A mechanical model is defined by the user procedure "Vumat" which is developed by the first author in Fortran programming language. Modelling presented in the paper can be used to optimize and to better understand the process.

A strict experimental test of macroscopic realism in a superconducting flux qubit.

Science.gov (United States)

Knee, George C; Kakuyanagi, Kosuke; Yeh, Mao-Chuang; Matsuzaki, Yuichiro; Toida, Hiraku; Yamaguchi, Hiroshi; Saito, Shiro; Leggett, Anthony J; Munro, William J

2016-11-04

Macroscopic realism is the name for a class of modifications to quantum theory that allow macroscopic objects to be described in a measurement-independent manner, while largely preserving a fully quantum mechanical description of the microscopic world. Objective collapse theories are examples which aim to solve the quantum measurement problem through modified dynamical laws. Whether such theories describe nature, however, is not known. Here we describe and implement an experimental protocol capable of constraining theories of this class, that is more noise tolerant and conceptually transparent than the original Leggett-Garg test. We implement the protocol in a superconducting flux qubit, and rule out (by ∼84 s.d.) those theories which would deny coherent superpositions of 170 nA currents over a ∼10 ns timescale. Further, we address the 'clumsiness loophole' by determining classical disturbance with control experiments. Our results constitute strong evidence for the superposition of states of nontrivial macroscopic distinctness.

Dipolar-induced interplay between inter-level physics and macroscopic phase transitions in triple-well potentials

International Nuclear Information System (INIS)

Zhang Aixia; Xue Jukui

2012-01-01

We propose a scheme to reveal the interplay between dipole–dipole interaction (DDI), inter-level coupling and macroscopic phase transitions in dipolar condensates. By considering a macroscopic sample of dipolar bosons in triple-well potentials, DDI-induced coupling between the inter-level physics and the macroscopic phase transitions is presented. When the DDI exceeds certain thresholds, the degeneracy of the two lowest energy levels and the excitation of new eigenstates occur, respectively. Interestingly, these thresholds give the boundaries of various quantum phase transitions. That is, the quantum phase transitions are the consequence of the levels' degeneracy and the new eigenstates' excitation. Furthermore, DDI-induced long-range macroscopic Josephson oscillations are observed and long-range coherent quantum transportation is achieved. Our results give clear proof of the interplay between the multi-level physics and quantum phase transitions, and also provide a way for designing the long-range coherent quantum transportation. (paper)

Macroscopic sessile tumor architecture is a pathologic feature of biologically aggressive upper tract urothelial carcinoma.

Science.gov (United States)

Fritsche, Hans-Martin; Novara, Giacomo; Burger, Maximilian; Gupta, Amit; Matsumoto, Kazumasa; Kassouf, Wassim; Sircar, Kanishka; Zattoni, Filiberto; Walton, Tom; Tritschler, Stefan; Baba, Shiro; Bastian, Patrick J; Martínez-Salamanca, Juan I; Seitz, Christian; Otto, Wolfgang; Wieland, Wolf Ferdinand; Karakiewicz, Pierre I; Ficarra, Vincenzo; Hartmann, Arndt; Shariat, Shahrokh F

2012-09-01

Macroscopic sessile tumor architecture was associated with adverse outcomes after radical nephroureterectomy (RNU) for upper tract urothelial carcinoma (UTUC). Before inclusion in daily clinical decision-making, the prognostic value of tumor architecture needs to be validated in an independent, external dataset. We tested whether macroscopic tumor architecture improves outcome prediction in an international cohort of patients. We retrospectively studied 754 patients treated with RNU for UTUC without neoadjuvant chemotherapy at 9 centers located in Asia, Canada, and Europe. Tumor architecture was macroscopically categorized as either papillary or sessile. Univariable and multivariable Cox regression analyses were used to address recurrence-free (RFS) and cancer-specific survival (CSS) estimates. Macroscopic sessile architecture was present in 20% of the patients. Its prevalence increased with advancing pathologic stage and it was significantly associated with established features of biologically aggressive UTUC, such as tumor grade, lymph node metastasis, lymphovascular invasion, and concomitant CIS (all P values architecture were 85% and 90%, compared with 58% and 66% for those with macroscopic sessile architecture, respectively (P values architecture was an independent predictor of both RFS (hazard ratio {HR}: 1.5; P = 0.036) and CSS (HR: 1.5; P = 0.03). We confirmed the independent prognostic value of macroscopic tumor architecture in a large, independent, multicenter UTUC cohort. It should be reported in every pathology report and included in post-RNU predictive models in order to refine current clinical decision making regarding follow-up protocol and adjuvant therapy. Copyright © 2012 Elsevier Inc. All rights reserved.

Polymer Chemistry--An Elective in the New Leaving Chemistry Course: A Method of Teaching It

Science.gov (United States)

Lister, G.

1972-01-01

A scheme is suggested for teaching concepts of polymer chemistry. Laboratory activities are suggested for the major topics. Interrelationships of different industrial uses of polymers are emphasized during the course. (PS)

Fundamentals of quantum chemistry

CERN Document Server

House, J E

2004-01-01

An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods. * This revised text clearly presents basic q

Verification of chemistry reference ranges using a simple method in sub-Saharan Africa

Directory of Open Access Journals (Sweden)

Irith De Baetselier

2016-10-01

Full Text Available Background: Chemistry safety assessments are interpreted by using chemistry reference ranges (CRRs. Verification of CRRs is time consuming and often requires a statistical background. Objectives: We report on an easy and cost-saving method to verify CRRs. Methods: Using a former method introduced by Sigma Diagnostics, three study sites in sub- Saharan Africa, Bondo, Kenya, and Pretoria and Bloemfontein, South Africa, verified the CRRs for hepatic and renal biochemistry assays performed during a clinical trial of HIV antiretroviral pre-exposure prophylaxis. The aspartate aminotransferase/alanine aminotransferase, creatinine and phosphorus results from 10 clinically-healthy participants at the screening visit were used. In the event the CRRs did not pass the verification, new CRRs had to be calculated based on 40 clinically-healthy participants. Results: Within a few weeks, the study sites accomplished verification of the CRRs without additional costs. The aspartate aminotransferase reference ranges for the Bondo, Kenya site and the alanine aminotransferase reference ranges for the Pretoria, South Africa site required adjustment. The phosphorus CRR passed verification and the creatinine CRR required adjustment at every site. The newly-established CRR intervals were narrower than the CRRs used previously at these study sites due to decreases in the upper limits of the reference ranges. As a result, more toxicities were detected. Conclusion: To ensure the safety of clinical trial participants, verification of CRRs should be standard practice in clinical trials conducted in settings where the CRR has not been validated for the local population. This verification method is simple, inexpensive, and can be performed by any medical laboratory.

Special relativity - the foundation of macroscopic physics

International Nuclear Information System (INIS)

Dixon, W.G.

1978-01-01

This book aims to show that an understanding of the basic laws of macroscopic systems can be gained more easily within relativistic physics than within Newtonian physics. The unity of dynamics, thermodynamics and electromagnetism under the umbrella of special relativity is examined under chapter headings entitled: the physics of space and time, affine spaces in mathematics and physics, foundations of dynamics, relativistic simple fluids, and, electrodynamics of polarizable fluids. (U.K.)

Thermomechanical macroscopic model of shape memory alloys

International Nuclear Information System (INIS)

Volkov, A.E.; Sakharov, V.Yu.

2003-01-01

The phenomenological macroscopic model of the mechanical behaviour of the titanium nickelide-type shape memory alloys is proposed. The model contains as a parameter the average phase shear deformation accompanying the martensite formation. It makes i possible to describe correctly a number of functional properties of the shape memory alloys, in particular, the pseudoelasticity ferroplasticity, plasticity transformation and shape memory effects in the stressed and unstressed samples [ru

PENGEMBANGAN METODE SINTESIS FURFURAL BERBAHAN DASAR CAMPURAN LIMBAH PERTANIAN DALAM RANGKA MEWUJUDKAN PRINSIP GREEN CHEMISTRY (Development Of Synthesis Method Of Furfural From Compost Heap Mixture To Reach Out Green Chemistry Principles

Directory of Open Access Journals (Sweden)

Mitarlis Mitarlis

2011-11-01

Full Text Available ABSTRAK Penelitian pengembangan metode sintesis furfural dengan bahan dasar campuran limbah pertanian dilakukan dengan tujuan untuk menentukan waktu pemanasan dan konsentrasi asam optimum serta mewujudkan prinsip green chemistry. Dalam penelitian ini digunakan campuran limbah pertanian ampas tebu, limbah daun nanas dan limbah tanaman jagung dengan perbandingan 1:1:1. Proses sintesis melalui tahap hidrolisis pentosan, dehidrasi, dan siklodehidrasi untuk membentuk furfural dengan menggunakan alat refluks termodifkasi. Identifikasi furfural menggunakan uji warna dengan anilin asetat, uji indeks bias, spektrofotometer UV-Vis, dan IR, serta GC. Analisis pemenuhan prinsip green chemistry menggunakan daftar ceck 12 prinsip green chemstry. Hasil penelitian menunjukkan bahwa: Waktu pemanasan dan konsentrasi asam sulfat optimum pada pembuatan furfural dari campuran limbah pertanian adalah 5 jam dan konsentrasi asam sulfat 10% (1,876 M dengan rendemen sebesar 5,58%. Metode sintesis furfural yang dikembangkan dapat memenuhi 11 dari 12 prinsip green chemistry yang telah ditetapkan. ABSTRACT The study of developing furfural synthesis method  from  compost heap mixture had been done to determine  optimum condition for this process and  to reach out the green chemistry principles. In this research, the compost heap mixture is from three kinds of compost heap (bagasse, pineapple leaf, waste of corn plant with same amount (1:1:1. The steps of furfural production process are hydrolysis of pentose by sulfuric acid, dehydration, and cyclodehydration to form furfural. It was produced by using a modification reflux apparatus. Identify of furfural product by  using qualitative analysis color test with aniline acetate, refractive index test, UV-Vis,  IR spectrophotometer, and GC. Green chemistry principles are analyzed by using check list of 12 principles of green chemistry.  Based on this research was obtained that the optimum concentration of sulfuric acid is

Macroscopic modeling for heat and water vapor transfer in dry snow by homogenization.

Science.gov (United States)

Calonne, Neige; Geindreau, Christian; Flin, Frédéric

2014-11-26

Dry snow metamorphism, involved in several topics related to cryospheric sciences, is mainly linked to heat and water vapor transfers through snow including sublimation and deposition at the ice-pore interface. In this paper, the macroscopic equivalent modeling of heat and water vapor transfers through a snow layer was derived from the physics at the pore scale using the homogenization of multiple scale expansions. The microscopic phenomena under consideration are heat conduction, vapor diffusion, sublimation, and deposition. The obtained macroscopic equivalent model is described by two coupled transient diffusion equations including a source term arising from phase change at the pore scale. By dimensional analysis, it was shown that the influence of such source terms on the overall transfers can generally not be neglected, except typically under small temperature gradients. The precision and the robustness of the proposed macroscopic modeling were illustrated through 2D numerical simulations. Finally, the effective vapor diffusion tensor arising in the macroscopic modeling was computed on 3D images of snow. The self-consistent formula offers a good estimate of the effective diffusion coefficient with respect to the snow density, within an average relative error of 10%. Our results confirm recent work that the effective vapor diffusion is not enhanced in snow.

Parametric equations for calculation of macroscopic cross sections

International Nuclear Information System (INIS)

Botelho, Mario Hugo; Carvalho, Fernando

2015-01-01

Neutronic calculations of the core of a nuclear reactor is one thing necessary and important for the design and management of a nuclear reactor in order to prevent accidents and control the reactor efficiently as possible. To perform these calculations a library of nuclear data, including cross sections is required. Currently, to obtain a cross section computer codes are used, which require a large amount of processing time and computer memory. This paper proposes the calculation of macroscopic cross section through the development of parametric equations. The paper illustrates the proposal for the case of macroscopic cross sections of absorption (Σa), which was chosen due to its greater complexity among other cross sections. Parametric equations created enable, quick and dynamic way, the determination of absorption cross sections, enabling the use of them in calculations of reactors. The results show efficient when compared with the absorption cross sections obtained by the ALPHA 8.8.1 code. The differences between the cross sections are less than 2% for group 2 and less than 0.60% for group 1. (author)

Gas phase ion chemistry

CERN Document Server

Bowers, Michael T

1979-01-01

Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

Spatially Resolved Artificial Chemistry

DEFF Research Database (Denmark)

Fellermann, Harold

2009-01-01

Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

Spatially Resolved Artificial Chemistry

DEFF Research Database (Denmark)

Fellermann, Harold

2009-01-01

made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction......Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...

Magnetic properties and macroscopic heterogeneity of FeCoNbB Hitperms

Science.gov (United States)

Butvin, Pavol; Butvinová, Beata; Sitek, Jozef; Degmová, Jarmila; Vlasák, Gabriel; Švec, Peter; Janičkovič, Dušan

Nanocrystalline ribbons of Fe 81-xCo xNb 7B 12 (where x ranges from 0 to 40.5 at%) Hitperm alloys have been investigated as to their basic magnetic properties and the influence of the macroscopic heterogeneity. Different crystalline share at surfaces compared with the volume average is observed by conversion electron Mössbauer spectroscopy (CEMS) and Mössbauer spectroscopy (MS), respectively. This marks the presence of macroscopic heterogeneity in these Hitperms. The heterogeneity is generally more significant in Ar-annealed samples than in the vacuum-annealed ones. The characteristic slant hysteresis loops (hard-ribbon-axis) are seen as a rule with few exceptions. An inspection of hysteresis loop response of resin potted samples shows that the surfaces bi-axially squeeze the ribbon interior in heterogeneous Hitperms when the ribbons cool down after annealing. Certain compositions show macroscopic viscous flow prior to crystallization so the heterogeneity gets another chance to induce anisotropy during annealing. The induction attains 1.5 T but saturates poorly due to the heterogeneity and the ensuing anisotropy. Moreover the heterogeneity appears to hamper the crystallization within the ribbon interior. Unlike Finemets, the density of these Hitperms show no pronounced trend with annealing.

Eleventh international symposium on radiopharmaceutical chemistry

International Nuclear Information System (INIS)

1995-01-01

This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry

Eleventh international symposium on radiopharmaceutical chemistry

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-12-31

This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry.

Compressor Has No Moving Macroscopic Parts

Science.gov (United States)

Gasser, Max

1995-01-01

Compressor containing no moving macroscopic parts functions by alternating piston and valve actions of successive beds of magnetic particles. Fabricated easily because no need for precisely fitting parts rotating or sliding on each other. Also no need for lubricant fluid contaminating fluid to be compressed. Compressor operates continuously, eliminating troublesome on/off cycling of other compressors, and decreasing consumption of energy. Phased cells push fluid from bottom to top, adding increments of pressure. Each cell contains magnetic powder particles loose when electromagnet coil deenergized, but tightly packed when coil energized.

Macroscopic polarization in crystalline dielectrics: the geometric phase approach

International Nuclear Information System (INIS)

Resta, R.

1994-01-01

The macroscopic electric polarization of a crystal is often defined as the dipole of a unit cell. In fact, such a dipole moment is ill defined, and the above definition is incorrect. Looking more closely, the quantity generally measured is differential polarization, defined with respect to a ''reference state'' of the same material. Such differential polarizations include either derivatives of the polarization (dielectric permittivity, Born effective charges, piezoelectricity, pyroelectricity) or finite differences (ferroelectricity). On the theoretical side, the differential concept is basic as well. Owing to continuity, a polarization difference is equivalent to a macroscopic current, which is directly accessible to the theory as a bulk property. Polarization is a quantum phenomenon and cannot be treated with a classical model, particularly whenever delocalized valence electrons are present in the dielectric. In a quantum picture, the current is basically a property of the phase of the wave functions, as opposed to the charge, which is a property of their modulus. An elegant and complete theory has recently been developed by King-Smith and Vanderbilt, in which the polarization difference between any two crystal states--in a null electric field--takes the form of a geometric quantum phase. This gives a comprehensive account of this theory, which is relevant for dealing with transverse-optic phonons, piezoelectricity, and ferroelectricity. Its relation to the established concepts of linear-response theory is also discussed. Within the geometric phase approach, the relevant polarization difference occurs as the circuit integral of a Berry connection (or ''vector potential''), while the corresponding curvature (or ''magnetic field'') provides the macroscopic linear response

Macroscopic Fundamental Diagram for pedestrian networks : Theory and applications

NARCIS (Netherlands)

Hoogendoorn, S.P.; Daamen, W.; Knoop, V.L.; Steenbakkers, Jeroen; Sarvi, Majid

2017-01-01

The Macroscopic Fundamental diagram (MFD) has proven to be a powerful concept in understanding and managing vehicular network dynamics, both from a theoretical angle and from a more application-oriented perspective. In this contribution, we explore the existence and the characteristics of the

The slow birth of green chemistry

Energy Technology Data Exchange (ETDEWEB)

Amato, I.

1993-03-12

Mainstream chemistry is beginning to look at environmental chemistry as an important solution to environmental problems. This can include research into developing cleaner-burning liquid fuels, cleaning up oil spills, or developing better process methods which engender less pollution, as opposed to previous practices of detecting pollutants without preventing their release to begin with. This article discusses the progress of this chemistry discipline, describes some of the ongoing research, and describes the future for environmental chemistry. An impetus for future growth will be generational change, as young scientists in training are beginning to push faculities into creating programs for environmental chemistry.

Intratumoral Macroscopic Fat and Hemorrhage Combination Useful in the Differentiation of Benign and Malignant Solid Renal Masses.

Science.gov (United States)

Sun, Jun; Xing, Zhaoyu; Xing, Wei; Zheng, Linfeng; Chen, Jie; Fan, Min; Chen, Tongbing; Zhang, Zhuoli

2016-03-01

To evaluate the value of combining the detection of intratumoral macroscopic fat and hemorrhage in the differentiation of the benign from malignant solid renal masses.Conventional magnetic resonance imaging (MRI), chemical shift (CS)-MRI, and susceptibility-weighted imaging were performed in 152 patients with 152 solid renal masses, including 48 benign and 104 malignant masses all pathologically confirmed. The presence of macroscopic fat detected by CS-MRI and hemorrhage detected by susceptibility-weighted imaging were evaluated in all masses. The rates of macroscopic fat and hemorrhage observed between benign and malignant masses were compared by a χ test. All masses found to contain macroscopic fat with or without hemorrhage were considered to be benign. The remaining masses (without macroscopic fat) found not to contain hemorrhage were considered to be benign. Only those found to contain hemorrhage alone were considered to be malignant. The evaluation indexes for differentiating and forecasting the benign and malignant masses were calculated.Significant differences in the rate of macroscopic fat (observed in 85.42% of benign masses vs. 0% of malignant masses) and hemorrhage (observed in 4.17% of benign masses vs. 95.19% of malignant masses) were measured in the benign and malignant groups (P benign and malignant masses were 96.05%, 95.19%, and 97.92%, respectively, and the accuracy and error rate of forecasting the benign and malignant masses were 95.39% and 4.61%, respectively.Combining the detection intratumoral macroscopic fat and hemorrhage can be used to differentiate the benign from malignant solid renal masses.

Microscopic and macroscopic models for pedestrian crowds

OpenAIRE

Makmul, Juntima

2016-01-01

This thesis is concerned with microscopic and macroscopic models for pedes- trian crowds. In the first chapter, we consider pedestrians exit choices and model human behaviour in an evacuation process. Two microscopic models, discrete and continuous, are studied in this chapter. The former is a cellular automaton model and the latter is a social force model. Different numerical test cases are investigated and their results are compared. In chapter 2, a hierarchy of models for...

Enhancing prospective chemistry teachers cognitive structures in the topics of bonding and hybridization by internet-assisted chemistry applications

Directory of Open Access Journals (Sweden)

Özge Özyalçın Oskay, Sinem Dinçol

2011-08-01

Full Text Available The purpose of this study is to determine the effects of internet-assisted chemistry applications on prospective chemistry teachers’ cognitive structures in the topics of bonding and hybridization. The sample of the study consisted of 36 prospective chemistry teachers attending Hacettepe University, Faculty of Education, the Department of Chemistry Education in 2010-2011 academic year and taking Basic Chemistry I lesson. In the study, students were separated into experimental and control groups according to their pre-cognitive structures. Students were requested to answer two open ended questions. Answers by each student were gathered and evaluated by flow map method. “Bonding and hybridization” topics were taught to control group with traditional teaching method and to experimental group besides traditional method internet-assisted applications were conducted. The same open-ended questions were given to both groups and their cognitive structures were examined once more. The differences between control and experimental groups’ cognitive structures were examined. A significant difference was identified in favour of experimental group (p<0, 05. The mean score of the Experimental group was X=19.94, and the mean score of the Control group was X=13.88. In addition, subsequent to internet assisted chemistry applications differences in terms of concepts and descriptions in prospective chemistry teachers’ in experimental and control group cognitive structure have been determined. When post flow maps of prospective chemistry teachers in experimental group, on whom internet assisted chemistry applications were made, are formed, it has been determined that there are more statements about hybridization, hybridization types, molecule geometry and bond angles compared to control grou

Analysis of macroscopic and microscopic rotating motions in rotating jets: A direct numerical simulation

Directory of Open Access Journals (Sweden)

Xingtuan Yang

2015-05-01

Full Text Available A direct numerical simulation study of the characteristics of macroscopic and microscopic rotating motions in swirling jets confined in a rectangular flow domain is carried out. The different structures of vortex cores for different swirl levels are illustrated. It is found that the vortex cores of low swirl flows are of regular cylindrical-helix patterns, whereas those of the high swirl flows are characterized by the formation of the bubble-type vortex breakdown followed by the radiant processing vortex cores. The results of mean velocity fields show the general procedures of vortex origination. Moreover, the effects of macroscopic and microscopic rotating motions with respect to the mean and fluctuation fields of the swirling flows are evaluated. The microscopic rotating effects, especially the effects with respect to the turbulent fluctuation motion, are increasingly intermittent with the increase in the swirl levels. In contrast, the maximum value of the probability density functions with respect to the macroscopic rotating effects of the fluctuation motion occurs at moderate swirl levels since the macroscopic rotating effects are attenuated by the formation of the bubble vortex breakdown with a region of stagnant fluids at supercritical swirl levels.

Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM

Directory of Open Access Journals (Sweden)

H. Riede

2009-12-01

Full Text Available We present a novel method for the quantification of transport, chemistry, and mixing along atmospheric trajectories based on a consistent model hierarchy. The hierarchy consists of the new atmospheric-chemistry trajectory-box model CAABA/MJT and the three-dimensional (3-D global ECHAM/MESSy atmospheric-chemistry (EMAC general circulation model. CAABA/MJT employs the atmospheric box model CAABA in a configuration using the atmospheric-chemistry submodel MECCA (M, the photochemistry submodel JVAL (J, and the new trajectory submodel TRAJECT (T, to simulate chemistry along atmospheric trajectories, which are provided offline. With the same chemistry submodels coupled to the 3-D EMAC model and consistent initial conditions and physical parameters, a unique consistency between the two models is achieved. Since only mixing processes within the 3-D model are excluded from the model consistency, comparisons of results from the two models allow to separate and quantify contributions of transport, chemistry, and mixing along the trajectory pathways. Consistency of transport between the trajectory-box model CAABA/MJT and the 3-D EMAC model is achieved via calculation of kinematic trajectories based on 3-D wind fields from EMAC using the trajectory model LAGRANTO. The combination of the trajectory-box model CAABA/MJT and the trajectory model LAGRANTO can be considered as a Lagrangian chemistry-transport model (CTM moving isolated air parcels. The procedure for obtaining the necessary statistical basis for the quantification method is described as well as the comprehensive diagnostics with respect to chemistry.

The quantification method presented here allows to investigate the characteristics of transport, chemistry, and mixing in a grid-based 3-D model. The analysis of chemical processes within the trajectory-box model CAABA/MJT is easily extendable to include, for example, the impact of different transport pathways or of mixing processes onto

Problems related to macroscopic electric fields in the magnetosphere

International Nuclear Information System (INIS)

Faelthammar, C.

1977-01-01

The macroscopic electric fields in the magnetosphere originate from internal as well as external sources. The fields are intimately coupled with the dynamics of magnetospheric plasma convection. They also depend on the complicated electrical properties of the hot collisionless plasma. Macroscopic electric fields are responsible for some important kinds of energization of charged particles that take place in the magnetosphere and affect not only particles of auroral energy but also, by multistep processes, trapped high-energy particles. A particularly interesting feature of magnetospheric electric fields is that they can have substantial components along the geomagnetic field, as has recently been confirmed by observations. Several physical mechanisms have been identified by which such electric fields can be supported even when collisions between particles are negligible. Comments are made on the magnetic mirror effect, anomalous resistivity, the collisionless thermoelectric effect, and electric double layers, emphasizing key features and differences and their significance in the light of recent observational data

[Cartilage tissue reconstruction by the polymer biomaterials--early macroscopic and histological results].

Science.gov (United States)

Scierski, Wojciech; Polok, Aleksandra; Namysłowski, Grzegorz; Nozyński, Jerzy; Turecka, Lucyna; Urbaniec, Natalia; Pamuła, Elzbieta

2009-09-01

The surgical treatment of large cartilage defects in the region of head and neck is often impossible because of the atrophy of surrounding tissues and lack of suitable material for reconstruction. In the surgical treatment many of methods and reconstructive materials have been used. For many years the suitable synthetic material for the cartilage defects reconstruction has been searched for. Was to evaluate two different biomaterials with proper mechanical and biological features for the cartilage replacement. Two type of biomaterials in this study were used: resorbable polymer - poly(L-lactide-co-glycolide) (PLG) acting as a supportive matrix. A thin layer of sodium hyaluronate (Hyal) was also deposited on the surface as well in the pore walls of PLG scaffolds in order to provide biologically active molecules promoting differentiation and regeneration of the tissue. The studies were performed on the 50 animals--rabbits divided into 2 groups. The animals were operated in the general anaesthesia. The incision was done along the edge of the rabbit's auricle. Perichondrium and cartilage of the auricle on the surface 4 x 3 cm were prepared. Subperichondrically 1 x 1 cm fragment of the cartilage was removed by the scissors. This fragment was then replaced by the biomaterials: PLG in first group of 25 rabbits and PLG-Hyal in second group 25 rabbits. The tissues were sutured with polyglycolide Safil 3-0. The animals obtained Enrofloxacin for three days after the operation. Then 1, 4 and 12 weeks after the surgery the animals were painlessly euthanized by an overdose of Morbital. Implants and surrounding tissues were excised and observed macroscopically and using an optical microscope. In all the observation periods we observed proper macroscopic healing process of biomaterials. We didn't stated strong inflammatory process and necrosis around the implanted biomaterials. The histological and macroscopic examinations indicated that both materials developed in this study have

Content-related interactions and methods of reasoning within self-initiated organic chemistry study groups

Science.gov (United States)

Christian, Karen Jeanne

2011-12-01

Students often use study groups to prepare for class or exams; yet to date, we know very little about how these groups actually function. This study looked at the ways in which undergraduate organic chemistry students prepared for exams through self-initiated study groups. We sought to characterize the methods of social regulation, levels of content processing, and types of reasoning processes used by students within their groups. Our analysis showed that groups engaged in predominantly three types of interactions when discussing chemistry content: co-construction, teaching, and tutoring. Although each group engaged in each of these types of interactions at some point, their prevalence varied between groups and group members. Our analysis suggests that the types of interactions that were most common depended on the relative content knowledge of the group members as well as on the difficulty of the tasks in which they were engaged. Additionally, we were interested in characterizing the reasoning methods used by students within their study groups. We found that students used a combination of three content-relevant methods of reasoning: model-based reasoning, case-based reasoning, or rule-based reasoning, in conjunction with one chemically-irrelevant method of reasoning: symbol-based reasoning. The most common way for groups to reason was to use rules, whereas the least common way was for students to work from a model. In general, student reasoning correlated strongly to the subject matter to which students were paying attention, and was only weakly related to student interactions. Overall, results from this study may help instructors to construct appropriate tasks to guide what and how students study outside of the classroom. We found that students had a decidedly strategic approach in their study groups, relying heavily on material provided by their instructors, and using the reasoning strategies that resulted in the lowest levels of content processing. We suggest

The Effect of Laboratory Training Model of Teaching and Traditional Method on Knowledge, Comprehension, Application, Skills-Components of Achievement, Total Achievement and Retention Level in Chemistry

Science.gov (United States)

Badeleh, Alireza

2011-01-01

The present study aimed at finding the effectiveness of the Laboratory Training Model of Teaching (LTM) and comparing it with the traditional methods of teaching chemistry to seventh standard students. It strived to determine whether the (LTM) method in chemistry would be significantly more effective than the Traditional method in respect to the…

Macroscopic behaviour of a charged Boltzmann gas

International Nuclear Information System (INIS)

Banyai, L.; Gartner, P.; Protopopescu, V.

1980-08-01

We consider a classical charged gas (with self-consistent Coulomb interaction) described by a solvable linearized Boltzman equation with thermaljzation on unifopmly distributed scatterers. It is shown that jf one scales the time t, the reciprocal space coordinate k vector and the Debye length l as lambda 2 t, k vector/lambda, lambda l respectively, in the lambda→infinity limit the charge density is equal to the solution of the corresponding diffusion-conduction (macroscopic) equation. (author)

Grasping the Second Law of Thermodynamics at University: The Consistency of Macroscopic and Microscopic Explanations

Science.gov (United States)

Leinonen, Risto; Asikainen, Mervi A.; Hirvonen, Pekka E.

2015-01-01

This study concentrates on evaluating the consistency of upper-division students' use of the second law of thermodynamics at macroscopic and microscopic levels. Data were collected by means of a paper and pencil test (N = 48) focusing on the macroscopic and microscopic features of the second law concerned with heat transfer processes. The data…

Radiation chemistry of the liquid state

International Nuclear Information System (INIS)

Buxton, G.V.

1987-01-01

More is known about the radiation chemistry of water than any other liquid. From a practical viewpoint out knowledge is virtually complete, and water radiolysis now provides a very convenient way of generating an enormous variety of unstable species under well-defined conditions. This facility, coupled with the techniques of pulse radiolysis, has opened up new areas in aqueous inorganic, organic, and biochemistry that cannot be readily studied by thermal or photochemical methods. This chapter is aimed, therefore, at those who wish to use radiolytic methods to generate and study unstable species in aqueous solution. The basic features of the radiation chemistry of water are described first to show how the primary radical and molecular products evolve with time and to delineate the bounds of useful experimental conditions. Next, the properties of the primary radicals are summarized, and examples are given to show how the primary radicals can be converted into secondary radicals, often of a single kind. This is an important aspect of the radiation chemistry of aqueous solutions. Lastly, the impact of our knowledge of the radiation chemistry of water on advances in general chemistry is illustrated by examples from the fields of inorganic and organic chemistry

Physics, radiology, and chemistry. 7. rev. ed.

International Nuclear Information System (INIS)

Linde, O.K.; Knigge, H.J.

1986-01-01

This book is an introduction to physics and chemistry especially for medical personnel. After a general introduction, measurement methods, mechanics including mechanics of solid bodies, fluids and gases, heat, optics, acoustics, electricity, radiations including their biological effects, general chemistry, inorganic and organic chemistry are treated. Every chapter contains exercises mostly in connection with medical and biological effects. Furthermore, connections with biology and medicine are considered. The chapters on physiological chemistry, computer and information theory, chemistry and ecology, and metabolism have been rewritten. (orig./HP) [de

Magnetic properties and macroscopic heterogeneity of FeCoNbB Hitperms

Energy Technology Data Exchange (ETDEWEB)

Butvin, Pavol [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia)], E-mail: fyzipbut@savba.sk; Butvinova, Beata [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia); Sitek, Jozef; Degmova, Jarmila [Department of Nuclear Physics and Technology, FEI, Slovak University of Technology, Ilkovicova 3, 812 19 Bratislava (Slovakia); Vlasak, Gabriel; Svec, Peter; Janickovic, Dusan [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia)

2008-03-15

Nanocrystalline ribbons of Fe{sub 81-x}Co{sub x}Nb{sub 7}B{sub 12} (where x ranges from 0 to 40.5 at%) Hitperm alloys have been investigated as to their basic magnetic properties and the influence of the macroscopic heterogeneity. Different crystalline share at surfaces compared with the volume average is observed by conversion electron Moessbauer spectroscopy (CEMS) and Moessbauer spectroscopy (MS), respectively. This marks the presence of macroscopic heterogeneity in these Hitperms. The heterogeneity is generally more significant in Ar-annealed samples than in the vacuum-annealed ones. The characteristic slant hysteresis loops (hard-ribbon-axis) are seen as a rule with few exceptions. An inspection of hysteresis loop response of resin potted samples shows that the surfaces bi-axially squeeze the ribbon interior in heterogeneous Hitperms when the ribbons cool down after annealing. Certain compositions show macroscopic viscous flow prior to crystallization so the heterogeneity gets another chance to induce anisotropy during annealing. The induction attains 1.5 T but saturates poorly due to the heterogeneity and the ensuing anisotropy. Moreover the heterogeneity appears to hamper the crystallization within the ribbon interior. Unlike Finemets, the density of these Hitperms show no pronounced trend with annealing.

A macroscopic cross-section model for BWR pin-by-pin core analysis

International Nuclear Information System (INIS)

Fujita, Tatsuya; Endo, Tomohiro; Yamamoto, Akio

2014-01-01

A macroscopic cross-section model used in boiling water reactor (BWR) pin-by-pin core analysis is studied. In the pin-by-pin core calculation method, pin-cell averaged cross sections are calculated for many combinations of core state and depletion history variables and are tabulated prior to core calculations. Variations of cross sections in a core simulator are caused by two different phenomena (i.e. instantaneous and history effects). We treat them through the core state variables and the exposure-averaged core state variables, respectively. Furthermore, the cross-term effect among the core state and the depletion history variables is considered. In order to confirm the calculation accuracy and discuss the treatment of the cross-term effect, the k-infinity and the pin-by-pin fission rate distributions in a single fuel assembly geometry are compared. Some cross-term effects could be negligible since the impacts of them are sufficiently small. However, the cross-term effects among the control rod history (or the void history) and other variables have large impacts; thus, the consideration of them is crucial. The present macroscopic cross-section model, which considers such dominant cross-term effects, well reproduces the reference results and can be a candidate in practical applications for BWR pin-by-pin core analysis on the normal operations. (author)

Physics, radiology, and chemistry. 5. ed.

International Nuclear Information System (INIS)

Linde, O.K.; Knigge, H.J.

1978-01-01

This book is an introduction into physics and chemistry especially for medical personnel. After a general introduction, measurement methods, mechanics including mechanics of colid bodies, fluids and gases, heat, optics, acoustics, electricity, radiations including their biological effects, general chemistry, anorganic and organic chemistry are treated. Every chapter contains exercises mostly in connection with medical and biological effects. Futhermore connections with biology and medicine are considered. (HSI) [de

Verification of chemistry reference ranges using a simple method in sub-Saharan Africa.

Science.gov (United States)

De Baetselier, Irith; Taylor, Douglas; Mandala, Justin; Nanda, Kavita; Van Campenhout, Christel; Agingu, Walter; Madurai, Lorna; Barsch, Eva-Maria; Deese, Jennifer; Van Damme, Lut; Crucitti, Tania

2016-01-01

Chemistry safety assessments are interpreted by using chemistry reference ranges (CRRs). Verification of CRRs is time consuming and often requires a statistical background. We report on an easy and cost-saving method to verify CRRs. Using a former method introduced by Sigma Diagnostics, three study sites in sub-Saharan Africa, Bondo, Kenya, and Pretoria and Bloemfontein, South Africa, verified the CRRs for hepatic and renal biochemistry assays performed during a clinical trial of HIV antiretroviral pre-exposure prophylaxis. The aspartate aminotransferase/alanine aminotransferase, creatinine and phosphorus results from 10 clinically-healthy participants at the screening visit were used. In the event the CRRs did not pass the verification, new CRRs had to be calculated based on 40 clinically-healthy participants. Within a few weeks, the study sites accomplished verification of the CRRs without additional costs. The aspartate aminotransferase reference ranges for the Bondo, Kenya site and the alanine aminotransferase reference ranges for the Pretoria, South Africa site required adjustment. The phosphorus CRR passed verification and the creatinine CRR required adjustment at every site. The newly-established CRR intervals were narrower than the CRRs used previously at these study sites due to decreases in the upper limits of the reference ranges. As a result, more toxicities were detected. To ensure the safety of clinical trial participants, verification of CRRs should be standard practice in clinical trials conducted in settings where the CRR has not been validated for the local population. This verification method is simple, inexpensive, and can be performed by any medical laboratory.

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

Science.gov (United States)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-05-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

Reversible optical control of macroscopic polarization in ferroelectrics

Science.gov (United States)

Rubio-Marcos, Fernando; Ochoa, Diego A.; Del Campo, Adolfo; García, Miguel A.; Castro, Germán R.; Fernández, José F.; García, José E.

2018-01-01

The optical control of ferroic properties is a subject of fascination for the scientific community, because it involves the establishment of new paradigms for technology1-9. Domains and domain walls are known to have a great impact on the properties of ferroic materials1-24. Progress is currently being made in understanding the behaviour of the ferroelectric domain wall, especially regarding its dynamic control10-12,17,19. New research is being conducted to find effective methodologies capable of modulating ferroelectric domain motion for future electronics. However, the practical use of ferroelectric domain wall motion should be both stable and reversible (rewritable) and, in particular, be able to produce a macroscopic response that can be monitored easily12,17. Here, we show that it is possible to achieve a reversible optical change of ferroelectric domains configuration. This effect leads to the tuning of macroscopic polarization and its related properties by means of polarized light, a non-contact external control. Although this is only the first step, it nevertheless constitutes the most crucial one in the long and complex process of developing the next generation of photo-stimulated ferroelectric devices.

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

Science.gov (United States)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-04-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics.

Science.gov (United States)

Kovalenko, Andriy; Gusarov, Sergey

2018-01-31

In this work, we will address different aspects of self-consistent field coupling of computational chemistry methods at different time and length scales in modern materials and biomolecular science. Multiscale methods framework yields dramatically improved accuracy, efficiency, and applicability by coupling models and methods on different scales. This field benefits many areas of research and applications by providing fundamental understanding and predictions. It could also play a particular role in commercialization by guiding new developments and by allowing quick evaluation of prospective research projects. We employ molecular theory of solvation which allows us to accurately introduce the effect of the environment on complex nano-, macro-, and biomolecular systems. The uniqueness of this method is that it can be naturally coupled with the whole range of computational chemistry approaches, including QM, MM, and coarse graining.

Measurement contextuality is implied by macroscopic realism

International Nuclear Information System (INIS)

Chen Zeqian; Montina, A.

2011-01-01

Ontological theories of quantum mechanics provide a realistic description of single systems by means of well-defined quantities conditioning the measurement outcomes. In order to be complete, they should also fulfill the minimal condition of macroscopic realism. Under the assumption of outcome determinism and for Hilbert space dimension greater than 2, they were all proved to be contextual for projective measurements. In recent years a generalized concept of noncontextuality was introduced that applies also to the case of outcome indeterminism and unsharp measurements. It was pointed out that the Beltrametti-Bugajski model is an example of measurement noncontextual indeterminist theory. Here we provide a simple proof that this model is the only one with such a feature for projective measurements and Hilbert space dimension greater than 2. In other words, there is no extension of quantum theory providing more accurate predictions of outcomes and simultaneously preserving the minimal labeling of events through projective operators. As a corollary, noncontextuality for projective measurements implies noncontextuality for unsharp measurements. By noting that the condition of macroscopic realism requires an extension of quantum theory, unless a breaking of unitarity is invoked, we arrive at the conclusion that the only way to solve the measurement problem in the framework of an ontological theory is by relaxing the hypothesis of measurement noncontextuality in its generalized sense.

A short textbook of colloid chemistry

CERN Document Server

Jirgensons, B

1962-01-01

A Short Textbook of Colloid Chemistry, Second Revised Edition details the factual aspect of colloid chemistry that includes the basic facts, established empirical and mathematical relationships, and practical applications. The chapters of the title are organized into two parts. In the first part, the text discusses the general concepts of colloid chemistry, such as the history and scope, basic terms, and basic methods in experiment with colloids. Part Two covers the technical aspect of colloid chemistry, such as the optical properties, electrical properties, and viscosity. The book will be of

Strongly Correlated Systems Theoretical Methods

CERN Document Server

Avella, Adolfo

2012-01-01

The volume presents, for the very first time, an exhaustive collection of those modern theoretical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciates consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as po...

Strongly correlated systems numerical methods

CERN Document Server

Mancini, Ferdinando

2013-01-01

This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possi...

Linking the microscopic view of chemistry to real-life experiences: Intertextuality in a high-school science classroom

Science.gov (United States)

Wu, Hsin-Kai

2003-11-01

Chemistry learning involves establishing conceptual relationships among macroscopic, microscopic, and symbolic representations. Employing the notion of intertextuality to conceptualize these relationships, this study investigates how class members interactionally construct meanings of chemical representations by connecting them to real-life experiences and how the teachers' content knowledge shapes their ways to coconstruct intertextual links with students. Multiple sources of data were collected over 7 weeks with a participation of 25 eleventh graders, an experienced teacher, and a student teacher. An examination of classroom discourse shows that the intertextual links between the microscopic view of chemistry and students' real-life experiences could be initiated by students and instigated by the teachers. The teachers applied several discursive strategies to scaffold students building meaningful links based on their prior knowledge and experiences. Additionally, the experienced teacher with stronger content knowledge tended to present links in both dialogic and monologic discourses. Yet, the relatively limited content knowledge did not necessarily constrain the student teacher's interactions with students. The findings of this study provide a backdrop for further research to explore how chemistry is learned and taught in a class through the social constructivist lens.

Prospective Chemistry and Science Teachers' Views and Metaphors about Chemistry and Chemical Studies

Science.gov (United States)

Onen Ozturk, Fatma; Aglarci, Oya

2017-01-01

Purpose: The aim of this study was to examine the metaphors created by prospective chemistry and science teachers and their views about how the studies in the field of chemistry are carried out in relation to the grade level and department. Research Methods: Case study as a qualitative research design was used. Participants in the study included…

"Drug" Discovery with the Help of Organic Chemistry.

Science.gov (United States)

Itoh, Yukihiro; Suzuki, Takayoshi

2017-01-01

The first step in "drug" discovery is to find compounds binding to a potential drug target. In modern medicinal chemistry, the screening of a chemical library, structure-based drug design, and ligand-based drug design, or a combination of these methods, are generally used for identifying the desired compounds. However, they do not necessarily lead to success and there is no infallible method for drug discovery. Therefore, it is important to explore medicinal chemistry based on not only the conventional methods but also new ideas. So far, we have found various compounds as drug candidates. In these studies, some strategies based on organic chemistry have allowed us to find drug candidates, through 1) construction of a focused library using organic reactions and 2) rational design of enzyme inhibitors based on chemical reactions catalyzed by the target enzyme. Medicinal chemistry based on organic chemical reactions could be expected to supplement the conventional methods. In this review, we present drug discovery with the help of organic chemistry showing examples of our explorative studies on histone deacetylase inhibitors and lysine-specific demethylase 1 inhibitors.

Testing quantum behaviour at the macroscopic level

International Nuclear Information System (INIS)

Ghirardi, G.C.

1994-07-01

We reconsider recent proposals to test macro realism versus quantum mechanics in experiments involving noninvasive measurement processes on a Squid. In spite of the fact that we are able to prove that the proposed experiments do not represent a test of macro realism but simply of macroscopic quantum coherence we call attention to their extreme conceptual relevance. We also discuss some recent criticisms which have been raised against the considered proposal and we show that they are not relevant. (author). 12 refs

Pseudo-Goldstone bosons and new macroscopic forces

International Nuclear Information System (INIS)

Hill, C.T.; Ross, G.G.

1988-01-01

Pseudoscalar Goldstone bosons may readily be associated with weakly, explicitly broken symmetries giving them mixed CP quantum numbers. In general this leads to scalar couplings to nucleons and leptons, which produces coherent long range forces. This can naturally accommodate detectable long range macroscopic forces mediated by bosons completely consistent with conventional cosmological limits, e.g., new interactions with the range of present 'fifth force' searches which probe a scale of new physics of f ≅ 10 14 GeV. (orig.)

CASE METHOD. ACTIVE LEARNING METHODOLOGY TO ACQUIRE SIGNIFICANT IN CHEMISTRY

Directory of Open Access Journals (Sweden)

Clotilde Pizarro

2015-09-01

Full Text Available In this paper the methodology of cases in first year students of the Engineering Risk Prevention and Environment is applied. For this purpose a real case of contamination occurred at a school in the region of Valparaiso called "La Greda" is presented. If the application starts delivering an extract of the information collected from the media and they made a brief induction on the methodology to be applied. A plenary session, which is debate about possible solutions to the problem and establishing a relationship between the case and drives the chemistry program is then performed. Is concluded that the application of the case method, was a fruitful tool in yields obtained by students, since the percentage of approval was 75%, which is considerably higher than previous years.

Macroscopic lattice Boltzmann model for heat and moisture transfer process with phase transformation in unsaturated porous media during freezing process

Directory of Open Access Journals (Sweden)

Song Wenyu

2017-06-01

Full Text Available In the current study, a macroscopic lattice Boltzmann model for simulating the heat and moisture transport phenomenon in unsaturated porous media during the freezing process was proposed. The proposed model adopted percolation threshold to reproduce the extra resistance in frozen fringe during the freezing process. The freezing process in Kanagawa sandy loam soil was demonstrated by the proposed model. The numerical result showed good agreement with the experimental result. The proposed model also offered higher computational efficiency and better agreement with the experimental result than the existing numerical models. Lattice Boltzmann method is suitable for simulating complex heat and mass transfer process in porous media at macroscopic scale under proper dimensionless criterion, which makes it a potentially powerful tool for engineering application.

Third Chemistry Conference on Recent Trends in Chemistry

International Nuclear Information System (INIS)

Saeed, M.M.; Wheed, S.

2011-01-01

The third chemistry conference 2011 on recent trends in chemistry was held from October 17-19, 2001 at Islamabad, Pakistan. More than 65 papers and oral presentation. The scope of the conference was wide open and provides and opportunity for participation of broad spectrum of chemists. This forum provided a platform for the dissemination of the latest research followed by discussion pertaining to new trends in chemistry. This con fence covered different aspects of subjects including analytical chemistry, environmental chemistry, polymer chemistry, industrial chemistry, biochemistry and nano chemistry etc. (A.B.)

Chemistry Teachers' Views of Creativity

Science.gov (United States)

Akkanat, Çigdem; Gökdere, Murat

2015-01-01

The purpose of this study was to determine chemistry teachers' views of creativity. In this study, phenomenology method, one of the qualitative research patterns, was used. The participants of this study were 13 chemistry teachers working in Amasya. A semi-structured interview form was used for data collection. By using NVivo 9 qualitative…

Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

Science.gov (United States)

Lehn, Jean-Marie

2012-01-01

Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

Comparison of collisionless macroscopic models and application to the ion-electron instability

International Nuclear Information System (INIS)

Ahedo, E.; Lapuerta, V.

2001-01-01

In a first part, different macroscopic models of linear Landau damping are compared using a concise one-dimensional (1-D) collisionless formulation. The three-moment model of Chang and Callen (CC) [Phys. Fluids B 4, 1167 (1992)] with two closure relations (complex in the Fourier space) for the viscous stress and the heat conduction is found to be equivalent to the two-moment model of Stubbe-Sukhorukov (SS) [Phys. Plasmas 6, 2976 (1999)], which uses a single (complex) closure relation for the pressure. The comparison of the respective closure relations favors clearly the SS pressure law, which associates an anomalous resistivity to the Landau damping. In a second part, a macroscopic interpretation, with the SS model, of the ion-electron instability shows its resistive character for low and intermediate drift velocities, and the transition to the reactive Buneman limit. The pressure law for the electrons is found to verify a simple law, whereas approximate laws are discussed for the ion pressure. These laws are used to close a macroscopic model for stability analyses of nonhomogeneous plasma structures, where SS and CC models are not applicable easily

Innovation Developments of Coal Chemistry Science in L.M. Litvinenko Institute of Physical-Organic Chemistry and Coal Chemistry of NAS of Ukraine

Directory of Open Access Journals (Sweden)

Shendrik, T.G.

2015-11-01

Full Text Available The article presents short historical review and innovation developments of Coal Chemistry Department of L.M. Litvinenko Institute, NAS of Ukraine connected with coal mine exploitation problems, search for decisions toward prevention of spontaneous combustion, dust control in mines, establishing structural chemical features of coal with different genesis and stages of metamorphism with the aim to develop new methods of their modification and rational use. The methods of obtaining inexpensive sorbents from Ukrainian raw materials (including carbon containing waste are proposed. The problems of modern coal chemistry science in IPOCC of NAS of Ukraine are outlined.

Photoinduced macroscopic chiral structures in a series of azobenzene copolyesters

DEFF Research Database (Denmark)

Nedelchev, L.; Nikolova, L.; Matharu, A.

2002-01-01

A study of the propagation of elliptically polarized light and the resulting formation of macroscopic chiral structures in a series of azobenzene side-chain copolyesters, in which the morphology is varied from liquid crystalline to amorphous, is reported. Real-time measurements are presented...

Microstructure and macroscopic properties of polydisperse systems of hard spheres

NARCIS (Netherlands)

Ogarko, V.

2014-01-01

This dissertation describes an investigation of systems of polydisperse smooth hard spheres. This includes the development of a fast contact detection algorithm for computer modelling, the development of macroscopic constitutive laws that are based on microscopic features such as the moments of the

PWR secondary water chemistry guidelines

International Nuclear Information System (INIS)

Bell, M.J.; Blomgren, J.C.; Fackelmann, J.M.

1982-10-01

Steam generators in pressurized water reactor (PWR) nuclear power plants have experienced tubing degradation by a variety of corrosion-related mechanisms which depend directly on secondary water chemistry. As a result of this experience, the Steam Generator Owners Group and EPRI have sponsored a major program to provide solutions to PWR steam generator problems. This report, PWR Secondary Water Chemistry Guidelines, in addition to presenting justification for water chemistry control parameters, discusses available analytical methods, data management and surveillance, and the management philosophy required to successfully implement the guidelines

Radiation chemistry

International Nuclear Information System (INIS)

Rodgers, F.; Rodgers, M.A.

1987-01-01

The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

Heterogeneous catalytic materials solid state chemistry, surface chemistry and catalytic behaviour

CERN Document Server

Busca, Guido

2014-01-01

Heterogeneous Catalytic Materials discusses experimental methods and the latest developments in three areas of research: heterogeneous catalysis; surface chemistry; and the chemistry of catalysts. Catalytic materials are those solids that allow the chemical reaction to occur efficiently and cost-effectively. This book provides you with all necessary information to synthesize, characterize, and relate the properties of a catalyst to its behavior, enabling you to select the appropriate catalyst for the process and reactor system. Oxides (used both as catalysts and as supports for cata

Modification of the Charlesby law. Pt. 2. Macroscopic sensitivity

International Nuclear Information System (INIS)

Schiltz, A.; Weil, A.; Paniez, P.

1984-01-01

In part II, results are presented showing that for doses below macroscopic sensitivity, Qsub(sm), degradation due to fluence of the particles seems to be non-uniform over the entire area. In the light of this, a modification of the Charlesby's law is proposed providing a solution to the problems considered in part I [fr

The macroscopic harmonic oscillator and quantum measurements

International Nuclear Information System (INIS)

Hayward, R.W.

1982-01-01

A quantum mechanical description of a one-dimensional macroscopic harmonic oscillator interacting with its environment is given. Quasi-coherent states are introduced to serve as convenient basis states for application of a density matrix formalism to characterize the system. Attention is given to the pertinent quantum limits to the precision of measurement of physical observables that may provide some information on the nature of a weak classical force interacting with the oscillator. A number of ''quantum nondemolition'' schemes proposed by various authors are discussed. (Auth.)

Field experience with advanced methods of on-line monitoring of water chemistry and corrosion degradation in nuclear power stations

International Nuclear Information System (INIS)

Stellwag, B.; Aaltonen, P.; Hickling, J.

1997-01-01

Advanced methods for on-line, in-situ water chemistry and corrosion monitoring in nuclear power stations have been developed during the past decade. The terms ''on-line'' and ''in-situ'' characterize approaches involving continuous measurement of relevant parameters in high temperature water, preferably directly in the systems and components and not in removed samples at room temperature. This paper describes the field experience to-date with such methods in terms of three examples: (1) On-line chemistry monitoring of the primary coolant during shutdown of a Type WWER-440 PWR. (2) Redox and corrosion potential measurements in final feedwater preheaters and steam generators of two large KWU PWRs over several cycles of plant operation. (3) Real-time, in-situ corrosion surveillance inside the calundia vault of a CANDU reactor. The way in which water chemistry sensors and corrosion monitoring sensors complement each other is outlined: on-line, in-situ measurement of pH, conductivity and redox potential gives information about the possible corrosivity of the environment. Electrochemical noise techniques display signals of corrosion activity under the actual environmental conditions. A common experience gained from separate use of these different types of sensors has been that new and additional information about plants and their actual process conditions is obtained. Moreover, they reveal the intimate relationship between the operational situation and its consequences for the quality of the working fluid and the corrosion behaviour of the plant materials. On this basis, the efficiency of the existing chemistry sampling and control system can be checked and corrosion degradation can be minimized. Furthermore, activity buildup in the primary circuit can be studied. Further significant advantages can be expected from an integration of these various types of sensors into a common water chemistry and corrosion surveillance system. For confirmation, a complete set of sensors

From Microscopic to Macroscopic Descriptions of Cell Migration on Growing Domains

KAUST Repository

Baker, Ruth E.

2009-10-28

Cell migration and growth are essential components of the development of multicellular organisms. The role of various cues in directing cell migration is widespread, in particular, the role of signals in the environment in the control of cell motility and directional guidance. In many cases, especially in developmental biology, growth of the domain also plays a large role in the distribution of cells and, in some cases, cell or signal distribution may actually drive domain growth. There is an almost ubiquitous use of partial differential equations (PDEs) for modelling the time evolution of cellular density and environmental cues. In the last 20 years, a lot of attention has been devoted to connecting macroscopic PDEs with more detailed microscopic models of cellular motility, including models of directional sensing and signal transduction pathways. However, domain growth is largely omitted in the literature. In this paper, individual-based models describing cell movement and domain growth are studied, and correspondence with a macroscopic-level PDE describing the evolution of cell density is demonstrated. The individual-based models are formulated in terms of random walkers on a lattice. Domain growth provides an extra mathematical challenge by making the lattice size variable over time. A reaction-diffusion master equation formalism is generalised to the case of growing lattices and used in the derivation of the macroscopic PDEs. © 2009 Society for Mathematical Biology.

Sialic acid-triggered macroscopic properties switching on a smart polymer surface

Science.gov (United States)

Xiong, Yuting; Li, Minmin; Wang, Hongxi; Qing, Guangyan; Sun, Taolei

2018-01-01

Constructing smart surfaces with responsive polymers capable of dynamically and reversibly changing their chemical and physical properties by responding to the recognition of biomolecules remains a challenging task. And, the key to achieving this purpose relies on the design of polymers to precisely interact with the target molecule and successfully transform the interaction signal into tunable macroscopic properties, further achieve special bio-functions. Herein, inspired by carbohydrate-carbohydrate interaction (CCI) in life system, we developed a three-component copolymer poly(NIPAAm-co-PT-co-Glc) bearing a binding unit glucose (Glc) capable of recognizing sialic acid, a type of important molecular targets for cancer diagnosis and therapy, and reported the sialic acid triggered macroscopic properties switching on this smart polymer surface. Detailed mechanism studies indicated that multiple hydrogen bonding interactions between Glc unit and Neu5Ac destroyed the initial hydrogen bond network of the copolymer, leading to a reversible "contraction-to-swelling" conformational transition of the copolymer chains, accompanied with distinct macroscopic property switching (i.e., surface wettability, morphology, stiffness) of the copolymer film. And these features enabled this copolymer to selectively capture sialic acid-containing glycopeptides from complex protein samples. This work provides an inspiration for the design of novel smart polymeric materials with sensitive responsiveness to sialic acid, which would promote the development of sialic acid-specific bio-devices and drug delivery systems.

Ninth international symposium on hot atom chemistry. Abstracts

International Nuclear Information System (INIS)

1977-01-01

Abstracts of the papers presented at the Symposium are compiled. The topics considered were chemical dynamics of high energy reactions, hot atom chemistry in organic compounds of tritium, nitrogen, oxygen, and halogens, theory and chemical dynamics of hot atom reactions as determined by beam studies, solid state reactions of recoil atoms and implanted ions, hot atom chemistry in energy-related research, hot atom chemistry in inorganic compounds of oxygen and tritium, hot positronium chemistry, applied hot atom chemistry in labelling, chemical effects of radioactive decay, decay-induced reactions and excitation labelling, physical methods in hot atom chemistry, and hot atom reactions in radiation and stratospheric chemistry

A neutron diffraction study of the crystal of benzoic acid from 6 to 293 K and a macroscopic-scale quantum theory of the lattice of hydrogen-bonded dimers

Energy Technology Data Exchange (ETDEWEB)

Fillaux, François, E-mail: francois.fillaux@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 8233, MONARIS, F-7505 Paris (France); Cousson, Alain, E-mail: alain-f.cousson@cea.fr [Laboratoire Léon Brillouin (CEA-CNRS), C.E. Saclay, 91191 Gif-sur-Yvette cedex (France)

2016-11-10

Highlights: • Proton transfer and tautomerism are revisited from quantum viewpoint. • Neutron-diffraction gives evidence for long-range correlations for protons. • We introduce a decoherence-free macroscopic-scale crystal-state. • All observations accord with the principle of complementarity. • Computational-chemistry models are inappropriate. - Abstract: Measurements via different techniques of the crystal of benzoic acid have led to conflicting conceptions of tautomerism: statistical disorder for diffraction; semiclassical jumps for relaxometry; quantum states for vibrational spectroscopy. We argue that these conflicts follow from the prejudice that nuclear positions and eigenstates are pre-existing to measurements, what is at variance with the principle of complementarity. We propose a self-contained quantum theory. First of all, new single-crystal neutron-diffraction data accord with long-range correlation for proton-site occupancies. Then we introduce a macroscopic-scale quantum-state emerging from phonon condensation, for which nuclear positions and eigenstates are indefinite. As to quantum-measurements, an incoming wave (neutron or photon) entangled with the condensate realizes a transitory state, either in the space of static nuclear-coordinates (diffraction), or in that of the symmetry coordinates (spectroscopy and relaxometry). We derive temperature-laws for proton-site occupancies and for the relaxation rate, which compare favorably with measurements.

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

On the problem of contextuality in macroscopic magnetization measurements

International Nuclear Information System (INIS)

Soeda, Akihito; Kurzyński, Paweł; Ramanathan, Ravishankar; Grudka, Andrzej; Thompson, Jayne; Kaszlikowski, Dagomir

2013-01-01

We show that sharp measurements of total magnetization cannot be used to reveal contextuality in macroscopic many-body systems of spins of arbitrary dimension. We decompose each such measurement into set of projectors corresponding to well-defined value of total magnetization. We then show that such sets of projectors are too restricted to construct Kochen–Specker sets.

Relationship Between Filler-Matrix Interface and Macroscopical Properties of Polymer Nanocomposites

KAUST Repository

Ventura, Isaac Aguilar

2017-01-01

The macroscopic properties of Multiwall Carbon Nanotube (MWCNT) polymer nano-composites and multiscale composites have been studied from a multifunctional standpoint. The objective is to understand and correlate the mechanisms in which the addition

Theoretical chemistry periodicities in chemistry and biology

CERN Document Server

Eyring, Henry

1978-01-01

Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

Gas-grain chemistry in cold interstellar cloud cores with a microscopic Monte Carlo approach to surface chemistry

Science.gov (United States)

Chang, Q.; Cuppen, H. M.; Herbst, E.

2007-07-01

Aims:We have recently developed a microscopic Monte Carlo approach to study surface chemistry on interstellar grains and the morphology of ice mantles. The method is designed to eliminate the problems inherent in the rate-equation formalism to surface chemistry. Here we report the first use of this method in a chemical model of cold interstellar cloud cores that includes both gas-phase and surface chemistry. The surface chemical network consists of a small number of diffusive reactions that can produce molecular oxygen, water, carbon dioxide, formaldehyde, methanol and assorted radicals. Methods: The simulation is started by running a gas-phase model including accretion onto grains but no surface chemistry or evaporation. The starting surface consists of either flat or rough olivine. We introduce the surface chemistry of the three species H, O and CO in an iterative manner using our stochastic technique. Under the conditions of the simulation, only atomic hydrogen can evaporate to a significant extent. Although it has little effect on other gas-phase species, the evaporation of atomic hydrogen changes its gas-phase abundance, which in turn changes the flux of atomic hydrogen onto grains. The effect on the surface chemistry is treated until convergence occurs. We neglect all non-thermal desorptive processes. Results: We determine the mantle abundances of assorted molecules as a function of time through 2 × 105 yr. Our method also allows determination of the abundance of each molecule in specific monolayers. The mantle results can be compared with observations of water, carbon dioxide, carbon monoxide, and methanol ices in the sources W33A and Elias 16. Other than a slight underproduction of mantle CO, our results are in very good agreement with observations.

Effect of isovector coupling channel on the macroscopic part of the nuclear binding energy

International Nuclear Information System (INIS)

Haddad, S.

2011-04-01

The effect of the isovector coupling channel on the macroscopic part of the nuclear binding energy is determined utilizing the relativistic density dependent Thomas-Fermi approach for the calculation of the macroscopic part of the nuclear binding energy, and the dependency of this effect on the numbers of neutrons and protons is studied. The isovector coupling channel leads to increased nuclear binding energy, and this effect sharpens with growing excess of the number of neutrons on the number of protons. (author)

Macroscopic-microscopic energy of rotating nuclei in the fusion-like deformation valley

International Nuclear Information System (INIS)

Gherghescu, R.A.; Royer, Guy

2000-01-01

The energy of rotating nuclei in the fusion-like deformation valley has been determined within a liquid drop model including the proximity energy, the two-center shell model and the Strutinsky method. The potential barriers of the 84 Zr, 132 Ce, 152 Dy and 192 Hg nuclei have been determined. A first minimum having a microscopic origin and lodging the normally deformed states disappears with increasing angular momenta. The microscopic and macroscopic energies contribute to generate a second minimum where superdeformed states may survive. It becomes progressively the lowest one at intermediate spins. At higher angular momenta, the minimum moves towards the foot of the external fission barrier leading to hyperdeformed quasi-molecular states. (author)

Green chemistry using radiotracers at SINP

International Nuclear Information System (INIS)

Lahiri, Susanta

2006-01-01

Green chemistry is utilization of set of principles, which restricts the use, or generation of hazardous substances. In this aim, it is necessary to develop alternative methods, or to find greener reagents for minimum utilization of environmentally hostile substances. Radiotracers can be effectively utilized for development of such methods. This article describes the current status of Green Chemistry research using accelerator/reactor produced radionuclides at Saha Institute of Nuclear Physics, Kolkata, India. (author)

Computational Chemistry Comparison and Benchmark Database

Science.gov (United States)

SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)   The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.

Field experience with advanced methods of on-line monitoring of water chemistry and corrosion degradation in nuclear power stations

Energy Technology Data Exchange (ETDEWEB)

Stellwag, B [Siemens AG Unternehmensbereich KWU, Erlangen (Germany); Aaltonen, P [Technical Research Centre of Finland, Espoo (Finland); Hickling, J [CML GmbH, Erlangen (Germany)

1997-02-01

Advanced methods for on-line, in-situ water chemistry and corrosion monitoring in nuclear power stations have been developed during the past decade. The terms ``on-line`` and ``in-situ`` characterize approaches involving continuous measurement of relevant parameters in high temperature water, preferably directly in the systems and components and not in removed samples at room temperature. This paper describes the field experience to-date with such methods in terms of three examples: (1) On-line chemistry monitoring of the primary coolant during shutdown of a Type WWER-440 PWR. (2) Redox and corrosion potential measurements in final feedwater preheaters and steam generators of two large KWU PWRs over several cycles of plant operation. (3) Real-time, in-situ corrosion surveillance inside the calundia vault of a CANDU reactor. The way in which water chemistry sensors and corrosion monitoring sensors complement each other is outlined: on-line, in-situ measurement of pH, conductivity and redox potential gives information about the possible corrosivity of the environment. Electrochemical noise techniques display signals of corrosion activity under the actual environmental conditions. A common experience gained from separate use of these different types of sensors has been that new and additional information about plants and their actual process conditions is obtained. Moreover, they reveal the intimate relationship between the operational situation and its consequences for the quality of the working fluid and the corrosion behaviour of the plant materials. On this basis, the efficiency of the existing chemistry sampling and control system can be checked and corrosion degradation can be minimized. Furthermore, activity buildup in the primary circuit can be studied. Further significant advantages can be expected from an integration of these various types of sensors into a common water chemistry and corrosion surveillance system. (Abstract Truncated)

Analytical chemistry

International Nuclear Information System (INIS)

Anon.

1985-01-01

The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

Where is the future of nuclear chemistry

International Nuclear Information System (INIS)

1980-01-01

The future potentials of nuclear chemistry as a natural science with a strong orientation towards practical applications has been discussed at this meeting of 45 experts coming from research institutes and laboratories working in the fields of radiochemistry, nuclear chemistry, inorganic and applied chemistry, hot-atom chemistry, radiobiology, and nuclear biology, and from the two nuclear research centres at Juelich and Karlsruhe. The discussion centred around the four main aspects of future work, namely 1. basic research leading to an extension of the periodic table, nuclear reactions, the chemistry of superheavy elements, cosmochemistry; 2. radionuclide technology and activation analysis; 3. nuclear fuel cycle and reprocessing processes together with ultimate disposal methods; 4. radiochemistry in the life sciences, including nuclear chemistry and applications. (HK) [de

The effect of interlayer adhesion on the mechanical behaviors of macroscopic graphene oxide papers.

Science.gov (United States)

Gao, Yun; Liu, Lu-Qi; Zu, Sheng-Zhen; Peng, Ke; Zhou, Ding; Han, Bao-Hang; Zhang, Zhong

2011-03-22

High mechanical performances of macroscopic graphene oxide (GO) papers are attracting great interest owing to their merits of lightweight and multiple functionalities. However, the loading role of individual nanosheets and its effect on the mechanical properties of the macroscopic GO papers are not yet well understood. Herein, we effectively tailored the interlayer adhesions of the GO papers by introducing small molecules, that is, glutaraldehyde (GA) and water molecules, into the gallery regions. With the help of in situ Raman spectroscopy, we compared the varied load-reinforcing roles of nanosheets, and further predicted the Young's moduli of the GO papers. Systematic mechanical tests have proven that the enhancement of the tensile modulus and strength of the GA-treated GO paper arose from the improved load-bearing capability of the nanosheets. On the basis of Raman and macroscopic mechanical tests, the influences of interlayer adhesions on the fracture mechanisms of the strained GO papers were inferred.

Statistical methods for estimating normal blood chemistry ranges and variance in rainbow trout (Salmo gairdneri), Shasta Strain

Science.gov (United States)

Wedemeyer, Gary A.; Nelson, Nancy C.

1975-01-01

Gaussian and nonparametric (percentile estimate and tolerance interval) statistical methods were used to estimate normal ranges for blood chemistry (bicarbonate, bilirubin, calcium, hematocrit, hemoglobin, magnesium, mean cell hemoglobin concentration, osmolality, inorganic phosphorus, and pH for juvenile rainbow (Salmo gairdneri, Shasta strain) trout held under defined environmental conditions. The percentile estimate and Gaussian methods gave similar normal ranges, whereas the tolerance interval method gave consistently wider ranges for all blood variables except hemoglobin. If the underlying frequency distribution is unknown, the percentile estimate procedure would be the method of choice.

Time-dependent entropy evolution in microscopic and macroscopic electromagnetic relaxation

International Nuclear Information System (INIS)

Baker-Jarvis, James

2005-01-01

This paper is a study of entropy and its evolution in the time and frequency domains upon application of electromagnetic fields to materials. An understanding of entropy and its evolution in electromagnetic interactions bridges the boundaries between electromagnetism and thermodynamics. The approach used here is a Liouville-based statistical-mechanical theory. I show that the microscopic entropy is reversible and the macroscopic entropy satisfies an H theorem. The spectral entropy development can be very useful for studying the frequency response of materials. Using a projection-operator based nonequilibrium entropy, different equations are derived for the entropy and entropy production and are applied to the polarization, magnetization, and macroscopic fields. I begin by proving an exact H theorem for the entropy, progress to application of time-dependent entropy in electromagnetics, and then apply the theory to relevant applications in electromagnetics. The paper concludes with a discussion of the relationship of the frequency-domain form of the entropy to the permittivity, permeability, and impedance

Macroscopic quantum electrodynamics of high-Q cavities

Energy Technology Data Exchange (ETDEWEB)

Khanbekyan, Mikayel

2009-10-27

In this thesis macroscopic quantum electrodynamics in linear media was applied in order to develop an universally valid quantum theory for the description of the interaction of the electromagnetic field with atomic sources in high-Q cavities. In this theory a complete description of the characteristics of the emitted radiation is given. The theory allows to show the limits of the applicability of the usually applied theory. In order to establish an as possible generally valid theory first the atom-field interaction was studied in the framework of macroscopic quantum electrodynamics in dispersive and absorptive media. In order to describe the electromagnetic field from Maxwell's equations was started, whereby the noise-current densities, which are connected with the absorption of the medium, were included. The solution of these equations expresses the electromagnetic field variables by the noise-current densities by means of Green's tensor of the macroscopic Maxwell equations. The explicit quantization is performed by means of the noise-current densities, whereby a diagonal Hamiltonian is introduced, which then guarantees the time development according to Maxwell's equation and the fulfillment of the fundamental simultaneous commutation relations of the field variables. In the case of the interaction of the medium-supported field with atoms the Hamiltonian must be extended by atom-field interactions energies, whereby the canonical coupling schemes of the minimal or multipolar coupling can be used. The dieelectric properties of the material bodies as well as their shape are coded in the Green tensor of the macroscopic Maxwell equations. As preparing step first the Green tensor was specified in order to derive three-dimensional input-output relations for the electromagnetic field operators on a plane multilayer structure. Such a general dewscription of the electromagnetic field allows the inclusion both of dispersion and absorption of the media and the

Triboelectricity: macroscopic charge patterns formed by self-arraying ions on polymer surfaces.

Science.gov (United States)

Burgo, Thiago A L; Ducati, Telma R D; Francisco, Kelly R; Clinckspoor, Karl J; Galembeck, Fernando; Galembeck, Sergio E

2012-05-15

Tribocharged polymers display macroscopically patterned positive and negative domains, verifying the fractal geometry of electrostatic mosaics previously detected by electric probe microscopy. Excess charge on contacting polyethylene (PE) and polytetrafluoroethylene (PTFE) follows the triboelectric series but with one caveat: net charge is the arithmetic sum of patterned positive and negative charges, as opposed to the usual assumption of uniform but opposite signal charging on each surface. Extraction with n-hexane preferentially removes positive charges from PTFE, while 1,1-difluoroethane and ethanol largely remove both positive and negative charges. Using suitable analytical techniques (electron energy-loss spectral imaging, infrared microspectrophotometry and carbonization/colorimetry) and theoretical calculations, the positive species were identified as hydrocarbocations and the negative species were identified as fluorocarbanions. A comprehensive model is presented for PTFE tribocharging with PE: mechanochemical chain homolytic rupture is followed by electron transfer from hydrocarbon free radicals to the more electronegative fluorocarbon radicals. Polymer ions self-assemble according to Flory-Huggins theory, thus forming the experimentally observed macroscopic patterns. These results show that tribocharging can only be understood by considering the complex chemical events triggered by mechanical action, coupled to well-established physicochemical concepts. Patterned polymers can be cut and mounted to make macroscopic electrets and multipoles.

Multiscale Investigation on Biofilm Distribution and Its Impact on Macroscopic Biogeochemical Reaction Rates: BIOFILM DISTRIBUTION AND RATE SCALING

Energy Technology Data Exchange (ETDEWEB)

Yan, Zhifeng [Institute of Surface-Earth System Science, Tianjin University, Tianjin China; Pacific Northwest National Laboratory, Richland WA USA; Liu, Chongxuan [Pacific Northwest National Laboratory, Richland WA USA; School of Environmental Science and Engineering, Southern University of Science and Technology, Shenzhen China; Liu, Yuanyuan [Pacific Northwest National Laboratory, Richland WA USA; School of Earth Science and Engineering, Nanjing University, Nanjing China; Bailey, Vanessa L. [Pacific Northwest National Laboratory, Richland WA USA

2017-11-01

Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models, and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.

Nuclear analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Brune, D.; Forkman, B.; Persson, B.

1984-01-01

This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

Nuclear analytical chemistry

International Nuclear Information System (INIS)

Brune, D.; Forkman, B.; Persson, B.

1984-01-01

This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection

Analytical Chemistry Laboratory: Progress report for FY 1988

International Nuclear Information System (INIS)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

1988-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for fiscal year 1988 (October 1987 through September 1988). The Analytical Chemistry Laboratory is a full-cost recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques

Analytical Chemistry Laboratory progress report for FY 1989

International Nuclear Information System (INIS)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

1989-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1989 (October 1988 through September 1989). The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques

Analytical Chemistry Laboratory: Progress report for FY 1988

Energy Technology Data Exchange (ETDEWEB)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

1988-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for fiscal year 1988 (October 1987 through September 1988). The Analytical Chemistry Laboratory is a full-cost recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

Complex chemistry

International Nuclear Information System (INIS)

Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

2006-06-01

This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

Eleventh international conference on boron chemistry. Programme and abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-07-01

Abstracts of reports at the Eleventh International Conference on Boron Chemistry are presented. Born chemistry as a connecting bridge between many fields maintains one of the leading positions in modern chemistry. Methods of synthesis of different boron compounds, properties of the compounds, their use in other regions of chemistry and medicine are widely presented in reports.

Eleventh international conference on boron chemistry. Programme and abstracts

International Nuclear Information System (INIS)

2002-01-01

Abstracts of reports at the Eleventh International Conference on Boron Chemistry are presented. Born chemistry as a connecting bridge between many fields maintains one of the leading positions in modern chemistry. Methods of synthesis of different boron compounds, properties of the compounds, their use in other regions of chemistry and medicine are widely presented in reports [ru

Sketching the Invisible to Predict the Visible: From Drawing to Modeling in Chemistry.

Science.gov (United States)

Cooper, Melanie M; Stieff, Mike; DeSutter, Dane

2017-10-01

Sketching as a scientific practice goes beyond the simple act of inscribing diagrams onto paper. Scientists produce a wide range of representations through sketching, as it is tightly coupled to model-based reasoning. Chemists in particular make extensive use of sketches to reason about chemical phenomena and to communicate their ideas. However, the chemical sciences have a unique problem in that chemists deal with the unseen world of the atomic-molecular level. Using sketches, chemists strive to develop causal mechanisms that emerge from the structure and behavior of molecular-level entities, to explain observations of the macroscopic visible world. Interpreting these representations and constructing sketches of molecular-level processes is a crucial component of student learning in the modern chemistry classroom. Sketches also serve as an important component of assessment in the chemistry classroom as student sketches give insight into developing mental models, which allows instructors to observe how students are thinking about a process. In this paper we discuss how sketching can be used to promote such model-based reasoning in chemistry and discuss two case studies of curricular projects, CLUE and The Connected Chemistry Curriculum, that have demonstrated a benefit of this approach. We show how sketching activities can be centrally integrated into classroom norms to promote model-based reasoning both with and without component visualizations. Importantly, each of these projects deploys sketching in support of other types of inquiry activities, such as making predictions or depicting models to support a claim; sketching is not an isolated activity but is used as a tool to support model-based reasoning in the discipline. Copyright © 2017 Cognitive Science Society, Inc.

Popular Science Articles for Chemistry Teaching

Directory of Open Access Journals (Sweden)

Ketevan Kupatadze

2017-07-01

Full Text Available The presented paper reviews popular science articles (these articles are published in online magazine “The Teacher” as one of the methods of chemistry teaching. It describes which didactic principles they are in line with and how this type of articles can be used in order to kindle the interest of pupils, students and generally, the readers of other specialties, in chemistry.  The articles review the main topics of inorganic/organic chemistry, biochemistry and ecological chemistry in a simple and entertaining manner. A part of the articles is about "household" chemistry. Chemical topics are related to poetry, literature, history of chemistry or simply, to fun news. The paper delineates the structure of popular science articles and the features of engaging students. It also reviews the teachers' and students' interview results about the usage of popular science articles in chemistry teaching process. The aforementioned pedagogical study revealed that the popular science articles contain useful information not only for the students of other specialties, but also for future biologists and ecologists (having chemistry as a mandatory subject at their universities. The articles are effectively used by teachers on chemistry lessons to kindle students' interest in this subject. DOI: http://dx.doi.org/10.17807/orbital.v9i3.960 

Does leaf chemistry differentially affect breakdown in tropical vs temperate streams? Importance of standardized analytical techniques to measure leaf chemistry

Science.gov (United States)

Marcelo Ard& #243; n; Catherine M. Pringle; Susan L. Eggert

2009-01-01

Comparisons of the effects of leaf litter chemistry on leaf breakdown rates in tropical vs temperate streams are hindered by incompatibility among studies and across sites of analytical methods used to measure leaf chemistry. We used standardized analytical techniques to measure chemistry and breakdown rate of leaves from common riparian tree species at 2 sites, 1...

Charge of a macroscopic particle in a plasma sheath

International Nuclear Information System (INIS)

Samarian, A.A.; Vladimirov, S.V.

2003-01-01

Charging of a macroscopic body levitating in a rf plasma sheath is studied experimentally and theoretically. The nonlinear charge vs size dependence is obtained. The observed nonlinearity is explained on the basis of an approach taking into account different plasma conditions for the levitation positions of different particles. The importance of suprathermal electrons' contribution to the charging process is demonstrated

Macroscopic and microscopic magnetism of metal-metalloid amorphous alloys

International Nuclear Information System (INIS)

Vasconcellos, M.A.Z.; Fichtner, P.F.P.; Livi, F.P.; Costa, M.I. da; Baibich, M.N.

1984-01-01

In this paper is investigated the interrelation between macroscopic and microscopic magnetic phenomena using experimetnal data from Moessbauer effect and the magnetization of layers of amorphous (Fe 1-x Ni x ) 80 B 20 . The Moessbauer effect measurement show a distribution of hyperfine fields in Fe site as well as a likely distribution of isomeric shifts (M.W.O.) [pt

Problem-based learning on quantitative analytical chemistry course

Science.gov (United States)

Fitri, Noor

2017-12-01

This research applies problem-based learning method on chemical quantitative analytical chemistry, so called as "Analytical Chemistry II" course, especially related to essential oil analysis. The learning outcomes of this course include aspects of understanding of lectures, the skills of applying course materials, and the ability to identify, formulate and solve chemical analysis problems. The role of study groups is quite important in improving students' learning ability and in completing independent tasks and group tasks. Thus, students are not only aware of the basic concepts of Analytical Chemistry II, but also able to understand and apply analytical concepts that have been studied to solve given analytical chemistry problems, and have the attitude and ability to work together to solve the problems. Based on the learning outcome, it can be concluded that the problem-based learning method in Analytical Chemistry II course has been proven to improve students' knowledge, skill, ability and attitude. Students are not only skilled at solving problems in analytical chemistry especially in essential oil analysis in accordance with local genius of Chemistry Department, Universitas Islam Indonesia, but also have skilled work with computer program and able to understand material and problem in English.

From Microscopic to Macroscopic Descriptions of Cell Migration on Growing Domains

KAUST Repository

Baker, Ruth E.; Yates, Christian A.; Erban, Radek

2009-01-01

are studied, and correspondence with a macroscopic-level PDE describing the evolution of cell density is demonstrated. The individual-based models are formulated in terms of random walkers on a lattice. Domain growth provides an extra mathematical challenge

Finite element simulation of nanoindentation tests using a macroscopic computational model

International Nuclear Information System (INIS)

Khelifa, Mourad; Fierro, Vanessa; Celzard, Alain

2014-01-01

The aim of this work was to develop a numerical procedure to simulate nanoindentation tests using a macroscopic computational model. Both theoretical and numerical aspects of the proposed methodology, based on the coupling of isotropic elasticity and anisotropic plasticity described with the quadratic criterion of Hill are presented to model this behaviour. The anisotropic plastic behaviour accounts for the mixed nonlinear hardening (isotropic and kinematic) under large plastic deformation. Nanoindentation tests were simulated to analyse the nonlinear mechanical behaviour of aluminium alloy. The predicted results of the finite element (FE) modelling are in good agreement with the experimental data, thereby confirming the accuracy level of the suggested FE method of analysis. The effects of some technological and mechanical parameters known to have an influence during the nanoindentation tests were also investigated.

Phenomenological modeling of combustion and NOx emissions using detailed tabulated chemistry methods in diesel engines

OpenAIRE

Rezaei, R.; Dinkelacker, F.; Tilch, B.; Delebinski, T.; Brauer, M.

2016-01-01

Enhancing the predictive quality of engine models, while maintaining an affordable computational cost, is of great importance. In this study, a phenomenological combustion and a tabulated NOx model, focusing on efficient modeling and improvement of computational effort, is presented. The proposed approach employs physical and chemical sub-models for local processes such as injection, spray formation, ignition, combustion, and NOx formation, being based on detailed tabulated chemistry methods....

Magnetic resonance imaging-determined synovial membrane and joint effusion volumes in rheumatoid arthritis and osteoarthritis: comparison with the macroscopic and microscopic appearance of the synovium

DEFF Research Database (Denmark)

Østergaard, Mikkel; Stoltenberg, M; Løvgreen-Nielsen, P

1997-01-01

OBJECTIVE: To evaluate the relationship between synovial membrane and joint effusion volumes determined by magnetic resonance imaging (MRI) and macroscopic and microscopic synovial pathologic findings in patients with rheumatoid arthritis (RA) and osteoarthritis (OA). METHODS: Synovial biopsies...... were performed, and macroscopic grades of synovitis assigned, at preselected knee sites during arthroscopy or arthrotomy in 17 knees with RA and 25 with OA. Synovial inflammation and 9 separate tissue characteristics were graded histologically. Synovial membrane and joint effusion volumes were...... membrane and effusion volumes may be sensitive markers and/or predictors of disease activity and treatment outcome in RA....

On creating macroscopically identical granular systems with different numbers of particles

Science.gov (United States)

van der Meer, Devaraj; Rivas, Nicolas

2015-11-01

One of the fundamental differences between granular and molecular hydrodynamics is the enormous difference in the total number of constituents. The small number of particles implies that the role of fluctuations in granular dynamics is of paramount importance. To obtain more insight in these fluctuations, we investigate to what extent it is possible to create identical granular hydrodynamic states with different number of particles. A definition is given of macroscopically equivalent systems, and the dependency of the conservation equations on the particle size is studied. We show that, in certain cases, and by appropriately scaling the microscopic variables, we are able to compare systems with significantly different number of particles that present the same macroscopic phenomenology. We apply these scalings in simulations of a vertically vibrated system, namely the density inverted granular Leidenfrost state and its transition to a buoyancy-driven convective state.

UV spectroscopy applied to stratospheric chemistry, methods and results

Energy Technology Data Exchange (ETDEWEB)

Karlsen, K.

1996-03-01

The publication from the Norwegian Institute for Air Research (NILU) deals with an investigation done on stratospheric chemistry by UV spectroscopy. The scientific goals are briefly discussed, and it gives the results from the measuring and analysing techniques used in the investigation. 6 refs., 11 figs.

Macroscopic superposition states and decoherence by quantum telegraph noise

Energy Technology Data Exchange (ETDEWEB)

Abel, Benjamin Simon

2008-12-19

In the first part of the present thesis we address the question about the size of superpositions of macroscopically distinct quantum states. We propose a measure for the ''size'' of a Schroedinger cat state, i.e. a quantum superposition of two many-body states with (supposedly) macroscopically distinct properties, by counting how many single-particle operations are needed to map one state onto the other. We apply our measure to a superconducting three-junction flux qubit put into a superposition of clockwise and counterclockwise circulating supercurrent states and find this Schroedinger cat to be surprisingly small. The unavoidable coupling of any quantum system to many environmental degrees of freedom leads to an irreversible loss of information about an initially prepared superposition of quantum states. This phenomenon, commonly referred to as decoherence or dephasing, is the subject of the second part of the thesis. We have studied the time evolution of the reduced density matrix of a two-level system (qubit) subject to quantum telegraph noise which is the major source of decoherence in Josephson charge qubits. We are able to derive an exact expression for the time evolution of the reduced density matrix. (orig.)

Parameterized representation of macroscopic cross section for PWR reactor

International Nuclear Information System (INIS)

Fiel, João Cláudio Batista; Carvalho da Silva, Fernando; Senra Martinez, Aquilino; Leal, Luiz C.

2015-01-01

Highlights: • This work describes a parameterized representation of the homogenized macroscopic cross section for PWR reactor. • Parameterization enables a quick determination of problem-dependent cross-sections to be used in few group calculations. • This work allows generating group cross-section data to perform PWR core calculations without computer code calculations. - Abstract: The purpose of this work is to describe, by means of Chebyshev polynomials, a parameterized representation of the homogenized macroscopic cross section for PWR fuel element as a function of soluble boron concentration, moderator temperature, fuel temperature, moderator density and 235 92 U enrichment. The cross-section data analyzed are fission, scattering, total, transport, absorption and capture. The parameterization enables a quick and easy determination of problem-dependent cross-sections to be used in few group calculations. The methodology presented in this paper will allow generation of group cross-section data from stored polynomials to perform PWR core calculations without the need to generate them based on computer code calculations using standard steps. The results obtained by the proposed methodology when compared with results from the SCALE code calculations show very good agreement

Macroscopic superposition states and decoherence by quantum telegraph noise

International Nuclear Information System (INIS)

Abel, Benjamin Simon

2008-01-01

In the first part of the present thesis we address the question about the size of superpositions of macroscopically distinct quantum states. We propose a measure for the ''size'' of a Schroedinger cat state, i.e. a quantum superposition of two many-body states with (supposedly) macroscopically distinct properties, by counting how many single-particle operations are needed to map one state onto the other. We apply our measure to a superconducting three-junction flux qubit put into a superposition of clockwise and counterclockwise circulating supercurrent states and find this Schroedinger cat to be surprisingly small. The unavoidable coupling of any quantum system to many environmental degrees of freedom leads to an irreversible loss of information about an initially prepared superposition of quantum states. This phenomenon, commonly referred to as decoherence or dephasing, is the subject of the second part of the thesis. We have studied the time evolution of the reduced density matrix of a two-level system (qubit) subject to quantum telegraph noise which is the major source of decoherence in Josephson charge qubits. We are able to derive an exact expression for the time evolution of the reduced density matrix. (orig.)

Gas phase ion chemistry

CERN Document Server

Bowers, Michael T

1979-01-01

Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

Proceedings of the 11. ENQA: Brazilian meeting on analytical chemistry. Challenges for analytical chemistry in the 21st century. Book of Abstracts

International Nuclear Information System (INIS)

2001-01-01

The 11th National Meeting on Analytical Chemistry was held from 18 to 21 September, 2001 at the Convention Center of UNICAMP, with the theme Challenges for Analytical Chemistry in the 21st Century. This meeting have discussed on the development of new methods and analytical tools needed to solve new challenges. The papers presented topics related to the different sub-areas of Analytical Chemistry such as Environmental Chemistry; Chemiometry techniques; X-ray Fluorescence Analysis; Spectroscopy; Separation Processes; Electroanalytic Chemistry and others. Were also included lectures on the Past and Future of Analytical Chemistry and on Ethics in Science

Analytic chemistry of molybdenum

International Nuclear Information System (INIS)

Parker, G.A.

1983-01-01

Electrochemical, colorimetric, gravimetric, spectroscopic, and radiochemical methods for the determination of molybdenum are summarized in this book. Some laboratory procedures are described in detail while literature citations are given for others. The reader is also referred to older comprehensive reviews of the analytical chemistry of molybdenum. Contents, abridged: Gravimetric methods. Titrimetric methods. Colorimetric methods. X-ray fluorescence. Voltammetry. Catalytic methods. Molybdenum in non-ferrous alloys. Molydbenum compounds

Analytical Chemistry Laboratory progress report for FY 1991

Energy Technology Data Exchange (ETDEWEB)

Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Boparai, A.S.

1991-12-01

The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1991 (October 1990 through September 1991). This is the eighth annual report for the ACL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

Implementing and Operating Computer Graphics in the Contemporary Chemistry Education

Directory of Open Access Journals (Sweden)

Olga Popovska

2017-11-01

Full Text Available Technology plays a crucial role in modern teaching, providing both, educators and students fundamental theoretical insights as well as supporting the interpretation of experimental data. In the long term it gives students a clear stake in their learning processes. Advancing in education furthermore largely depends on providing valuable experiences and tools throughout digital and computer literacy. Here and after, the computer’s benefit makes no exception in the chemistry as a science. The major part of computer revolutionizing in the chemistry laboratory is with the use of images, diagrams, molecular models, graphs and specialized chemistry programs. In the sense of this, the teacher provides more interactive classes and numerous dynamic teaching methods along with advanced technology. All things considered, the aim of this article is to implement interactive teaching methods of chemistry subjects using chemistry computer graphics. A group of students (n = 30 at the age of 18–20 were testing using methods such as brainstorming, demonstration, working in pairs, and writing laboratory notebooks. The results showed that demonstration is the most acceptable interactive method (95%. This article is expected to be of high value to teachers and researchers of chemistry, implementing interactive methods, and operating computer graphics.

Integrating Computational Chemistry into a Course in Classical Thermodynamics

Science.gov (United States)

Martini, Sheridan R.; Hartzell, Cynthia J.

2015-01-01

Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…

Grasping the second law of thermodynamics at university: The consistency of macroscopic and microscopic explanations

Directory of Open Access Journals (Sweden)

Risto Leinonen

2015-09-01

Full Text Available [This paper is part of the Focused Collection on Upper Division Physics Courses.] This study concentrates on evaluating the consistency of upper-division students’ use of the second law of thermodynamics at macroscopic and microscopic levels. Data were collected by means of a paper and pencil test (N=48 focusing on the macroscopic and microscopic features of the second law concerned with heat transfer processes. The data analysis was based on a qualitative content analysis where students’ responses to the macroscopic- and microscopic-level items were categorized to provide insight into the consistency of the students’ ideas; if students relied on the same idea at both levels, they ended up in the same category at both levels, and their use of the second law was consistent. The most essential finding is that a majority of students, 52%–69% depending on the physical system under evaluation, used the second law of thermodynamics consistently at macroscopic and microscopic levels; approximately 40% of the students used it correctly in terms of physics while others relied on erroneous ideas, such as the idea of conserving entropy. The most common inconsistency harbored by 10%–15% of the students (depending on the physical system under evaluation was students’ tendency to consider the number of accessible microstates to remain constant even if the entropy was stated to increase in a similar process; other inconsistencies were only seen in the answers of a few students. In order to address the observed inconsistencies, we would suggest that lecturers should utilize tasks that challenge students to evaluate phenomena at macroscopic and microscopic levels concurrently and tasks that would guide students in their search for contradictions in their thinking.

A macroscopic model for magnetic shape-memory single crystals

Czech Academy of Sciences Publication Activity Database

Bessoud, A. L.; Kružík, Martin; Stefanelli, U.

2013-01-01

Roč. 64, č. 2 (2013), s. 343-359 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GAP201/10/0357 Institutional support: RVO:67985556 Keywords : magnetostriction * evolution Subject RIV: BA - General Mathematics Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-a macroscopic model for magnetic shape- memory single crystals.pdf

Application of machine-learning methods to solid-state chemistry: ferromagnetism in transition metal alloys

International Nuclear Information System (INIS)

Landrum, G.A.Gregory A.; Genin, Hugh

2003-01-01

Machine-learning methods are a collection of techniques for building predictive models from experimental data. The algorithms are problem-independent: the chemistry and physics of the problem being studied are contained in the descriptors used to represent the known data. The application of a variety of machine-learning methods to the prediction of ferromagnetism in ordered and disordered transition metal alloys is presented. Applying a decision tree algorithm to build a predictive model for ordered phases results in a model that is 100% accurate. The same algorithm achieves 99% accuracy when trained on a data set containing both ordered and disordered phases. Details of the descriptor sets for both applications are also presented

Enhancing Academic Achievement and Retention in Senior Secondary School Chemistry through Discussion and Lecture Methods: A Case Study of Some Selected Secondary Schools in Gboko, Benue State, Nigeria

Science.gov (United States)

Omwirhiren, Efe M.

2015-01-01

The present study was initiated to determine how academic achievement and retention in chemistry is enhanced using the two instructional methods among SSII students and ascertained the differential performance of male and female students in chemistry with a view of improving student performance in chemistry. The study adopted a non-equivalent…

The Two-Time Interpretation and Macroscopic Time-Reversibility

Directory of Open Access Journals (Sweden)

Yakir Aharonov

2017-03-01

Full Text Available The two-state vector formalism motivates a time-symmetric interpretation of quantum mechanics that entails a resolution of the measurement problem. We revisit a post-selection-assisted collapse model previously suggested by us, claiming that unlike the thermodynamic arrow of time, it can lead to reversible dynamics at the macroscopic level. In addition, the proposed scheme enables us to characterize the classical-quantum boundary. We discuss the limitations of this approach and its broad implications for other areas of physics.

Solvent effects in chemistry

CERN Document Server

Buncel, Erwin

2015-01-01

This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds.  It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut

Analysis of the Macroscopic Behavior of Server Systems in the Internet Environment

Directory of Open Access Journals (Sweden)

Yusuke Tanimura

2017-11-01

Full Text Available Elasticity is one of the key features of cloud-hosted services built on virtualization technology. To utilize the elasticity of cloud environments, administrators should accurately capture the operational status of server systems, which changes constantly according to service requests incoming irregularly. However, it is difficult to detect and avoid in advance that operating services are falling into an undesirable state. In this paper, we focus on the management of server systems that include cloud systems, and propose a new method for detecting the sign of undesirable scenarios before the system becomes overloaded as a result of various causes. In this method, a measure that utilizes the fluctuation of the macroscopic operational state observed in the server system is introduced. The proposed measure has the property of drastically increasing before the server system is in an undesirable state. Using the proposed measure, we realize a function to detect that the server system is falling into an overload scenario, and we demonstrate its effectiveness through experiments.

Vascular flora and macroscopic fauna on the Fernow Experimental Forest

Science.gov (United States)

Darlene M. Madarish; Jane L. Rodrigue; Mary Beth Adams

2002-01-01

This report is the first comprehensive inventory of the vascular flora and macroscopic fauna known to occur within the Fernow Experimental Forest in north-central West Virignia. The compendium is based on information obtained from previous surveys, current research, and the personal observations of USDA Forest Service personnel and independent scientists. More than 750...

Macroscopic and microscopic findings in avascular necrosis of the femoral head.

Science.gov (United States)

Kamal, Diana; Alexandru, D O; Kamal, C K; Streba, C T; Grecu, D; Mogoantă, L

2012-01-01

The avascular necrosis of the femoral head is an illness induced by the cutoff of blood flow to the femoral head and it affects mostly young adults between the ages of 30 and 50 years, raising therapeutic and diagnostic issues. Many risk factors are incriminated in the development of avascular necrosis of the femoral head like: trauma, chronic alcohol consumption, smoking, administration of corticosteroid drugs, most of the cases are considered to be idiopathic. The main goal of our paper is to describe the macroscopic and microscopic variations of the bone structure, which occur in patients with avascular necrosis of the femoral head. The biological material needed for our study was obtained following hip arthroplasty surgery in 26 patients between the ages of 29 and 59 years, which previously were diagnosed with avascular necrosis of the femoral head and admitted in the Orthopedics Department of the Emergency County Hospital of Craiova (Romania) between 2010 and 2011. From a macroscopic point of view, we found well defined areas of necrosis, most of which were neatly demarcated of the adjacent viable tissue by hyperemic areas, loss of shape and contour of the femoral head and transformations of the articular cartilage above the area of necrosis. When examined under the microscope, we found vast areas of fibrosis, narrow bone trabeculae, obstructed blood vessels or blood vessels with clots inside, hypertrophic fat cells, bone sequestration but also small cells and pyknotic nuclei. The microscopic and macroscopic findings on the femoral head sections varied with the patients and the stage of the disease.

Case Study: The Chemistry of Cocaine

Science.gov (United States)

Dewprashad, Brahmadeo

2011-01-01

This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's case study focuses on the chemistry of cocaine to teach a number of core concepts in organic chemistry. It also requires that students read and analyze an original research paper on…

Inverted rank distributions: Macroscopic statistics, universality classes, and critical exponents

Science.gov (United States)

Eliazar, Iddo; Cohen, Morrel H.

2014-01-01

An inverted rank distribution is an infinite sequence of positive sizes ordered in a monotone increasing fashion. Interlacing together Lorenzian and oligarchic asymptotic analyses, we establish a macroscopic classification of inverted rank distributions into five “socioeconomic” universality classes: communism, socialism, criticality, feudalism, and absolute monarchy. We further establish that: (i) communism and socialism are analogous to a “disordered phase”, feudalism and absolute monarchy are analogous to an “ordered phase”, and criticality is the “phase transition” between order and disorder; (ii) the universality classes are characterized by two critical exponents, one governing the ordered phase, and the other governing the disordered phase; (iii) communism, criticality, and absolute monarchy are characterized by sharp exponent values, and are inherently deterministic; (iv) socialism is characterized by a continuous exponent range, is inherently stochastic, and is universally governed by continuous power-law statistics; (v) feudalism is characterized by a continuous exponent range, is inherently stochastic, and is universally governed by discrete exponential statistics. The results presented in this paper yield a universal macroscopic socioeconophysical perspective of inverted rank distributions.

Collective motion of macroscopic spheres floating on capillary ripples: dynamic heterogeneity and dynamic criticality.

Science.gov (United States)

Sanlı, Ceyda; Saitoh, Kuniyasu; Luding, Stefan; van der Meer, Devaraj

2014-09-01

When a densely packed monolayer of macroscopic spheres floats on chaotic capillary Faraday waves, a coexistence of large scale convective motion and caging dynamics typical for glassy systems is observed. We subtract the convective mean flow using a coarse graining (homogenization) method and reveal subdiffusion for the caging time scales followed by a diffusive regime at later times. We apply the methods developed to study dynamic heterogeneity and show that the typical time and length scales of the fluctuations due to rearrangements of observed particle groups significantly increase when the system approaches its largest experimentally accessible packing concentration. To connect the system to the dynamic criticality literature, we fit power laws to our results. The resultant critical exponents are consistent with those found in densely packed suspensions of colloids.

State-space based analysis and forecasting of macroscopic road safety trends in Greece.

Science.gov (United States)

Antoniou, Constantinos; Yannis, George

2013-11-01

In this paper, macroscopic road safety trends in Greece are analyzed using state-space models and data for 52 years (1960-2011). Seemingly unrelated time series equations (SUTSE) models are developed first, followed by richer latent risk time-series (LRT) models. As reliable estimates of vehicle-kilometers are not available for Greece, the number of vehicles in circulation is used as a proxy to the exposure. Alternative considered models are presented and discussed, including diagnostics for the assessment of their model quality and recommendations for further enrichment of this model. Important interventions were incorporated in the models developed (1986 financial crisis, 1991 old-car exchange scheme, 1996 new road fatality definition) and found statistically significant. Furthermore, the forecasting results using data up to 2008 were compared with final actual data (2009-2011) indicating that the models perform properly, even in unusual situations, like the current strong financial crisis in Greece. Forecasting results up to 2020 are also presented and compared with the forecasts of a model that explicitly considers the currently on-going recession. Modeling the recession, and assuming that it will end by 2013, results in more reasonable estimates of risk and vehicle-kilometers for the 2020 horizon. This research demonstrates the benefits of using advanced state-space modeling techniques for modeling macroscopic road safety trends, such as allowing the explicit modeling of interventions. The challenges associated with the application of such state-of-the-art models for macroscopic phenomena, such as traffic fatalities in a region or country, are also highlighted. Furthermore, it is demonstrated that it is possible to apply such complex models using the relatively short time-series that are available in macroscopic road safety analysis. Copyright © 2013 Elsevier Ltd. All rights reserved.

On the origin and elimination of macroscopic defects in MBE films

Science.gov (United States)

Wood, C. E. C.; Rathbun, L.; Ohno, H.; DeSimone, D.

1981-02-01

Spitting of group III metal droplets from Knudsen type effusion cells has been found culpable for a genre of problematical macroscopic surface topographical defects observed in the growth of semiconductor films by molecular beam epitaxy. Successful precautions are described which virtually eliminate the problem.

Chemistry and physics

International Nuclear Information System (INIS)

Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

1983-01-01

This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

Microstructure and temperature dependence of intergranular strains on diffractometric macroscopic residual stress analysis

Energy Technology Data Exchange (ETDEWEB)

Wagner, J.N., E-mail: Julia.Wagner@kit.edu [KNMF, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Hofmann, M. [Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II), TU München, Lichtenbergstr. 1, 85747 Garching (Germany); Wimpory, R. [Helmholtz-Zentrum Berlin für Materialien und Energie, D-14109 Berlin Wannsee (Germany); Krempaszky, C. [Christian-Doppler-Labor für Werkstoffmechanik von Hochleistungslegierungen, TU München, Boltzmannstr. 15, 85747 Garching (Germany); Lehrstuhl für Werkstoffkunde und Werkstoffmechanik, TU München, Boltzmannstr. 15, 85747 Garching (Germany); Stockinger, M. [Böhler Schmiedetechnik GmbH and Co KG, Mariazeller Straße 25, 8605 Kapfenberg (Austria)

2014-11-17

Knowledge of the macroscopic residual stresses in components of complex high performance alloys is crucial when it comes to considering the safety and manufacturing aspects of components. Diffraction experiments are one of the key methods for studying residual stresses. However a component of the residual strain determined by diffraction experiments, known as microstrain or intergranular residual strain, occurs over the length scale of the grains and thus plays only a minor role for the life time of such components. For the reliable determination of macroscopic strains (with the minimum influence of these intergranular residual strains), the ISO standard recommends the use of particular Bragg reflections. Here we compare the build-up of intergranular strain of two different precipitation hardened IN 718 (INCONEL 718) samples, with identical chemical composition. Since intergranular strains are also affected by temperature, results from room temperature measurement are compared to results at T=550 °C. It turned out that microstructural parameters, such as grain size or type of precipitates, have a larger effect on the intergranular strain evolution than the influence of temperature at the measurement temperature of T=550 °C. The results also show that the choice of Bragg reflections for the diffractometric residual stress analysis is dependent not only on its chemical composition, but also on the microstructure of the sample. In addition diffraction elastic constants (DECs) for all measured Bragg reflections are given.

Macroscopic optical constants of a cloud of randomly oriented nonspherical scatterers

International Nuclear Information System (INIS)

Borghese, F.; Denti, P.; Saija, R.; Toscano, G.; Sindoni, O.I.

1984-01-01

A method to calculate the macroscopic optical constants of a low-density medium consisting of a cloud of identical nonspherical scatterers is presented. The scatterers in the medium are clusters of dielectric spheres and the electromagnetic field scattered by each of the clusters is obtained as a superposition of multipole fields, as previously proposed by the authors. The transformation properties of the spherical multipoles under rotation allow the orientation-dependent terms in the expression for the forward-scattering amplitude of each of the clusters to be factored out. In this way the sum of the scattering amplitudes of the clusters with different orientations, needed to calculate the optical response of the medium, is greatly facilitated and admits a simple analytic expression in the case of randomly oriented clusters. Results of calculations of the optical constants for a few model media are presented

Macroscopic Quantum States and Quantum Phase Transition in the Dicke Model

International Nuclear Information System (INIS)

Lian Jin-Ling; Zhang Yuan-Wei; Liang Jiu-Qing

2012-01-01

The energy spectrum of Dicke Hamiltonians with and without the rotating wave approximation for an arbitrary atom number is obtained analytically by means of the variational method, in which the effective pseudo-spin Hamiltonian resulting from the expectation value in the boson-field coherent state is diagonalized by the spin-coherent-state transformation. In addition to the ground-state energy, an excited macroscopic quantum-state is found corresponding to the south- and north-pole gauges of the spin-coherent states, respectively. Our results of ground-state energies in exact agreement with various approaches show that these models exhibit a zero-temperature quantum phase transition of the second order for any number of atoms, which was commonly considered as a phenomenon of the thermodynamic limit with the atom number tending to infinity. The critical behavior of the geometric phase is analyzed. (general)

Annual Report of Institute of Nuclear Chemistry and Technology 2001

International Nuclear Information System (INIS)

2002-06-01

The INCT 2001 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology in Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators and nuclear analytical methods

Annual Report 2004 of Institute of Nuclear Chemistry and Technology

International Nuclear Information System (INIS)

Michalik, J.; Smulek, W.; Godlewska-Para, E.

2005-06-01

The INCT 2004 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators, radiobiology and nuclear analytical methods

Annual Report 2004 of Institute of Nuclear Chemistry and Technology

Energy Technology Data Exchange (ETDEWEB)

Michalik, J; Smulek, W; Godlewska-Para, E [eds.

2005-06-01

The INCT 2004 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators, radiobiology and nuclear analytical methods.

Annual Report of Institute of Nuclear Chemistry and Technology 2001

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-06-01

The INCT 2001 Annual Report is the review of scientific activities in all branches being developed in the Institute of Nuclear Chemistry and Technology in Warsaw. The studies are connected in general with the following fields: radiation chemistry and physics, radiation technologies, radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general, radiobiology, process engineering, material engineering, structural studies and diagnostics, nucleonic control systems and accelerators and nuclear analytical methods.

Contribution from philosophy of chemistry to chemistry education: In a case of ionic liquids as technochemistry

Science.gov (United States)

Mudzakir, Ahmad; Hernani, Widhiyanti, Tuszie; Sudrajat, Devi Pratiwi

2017-08-01

Traditional chemistry education is commonly handing down of concepts, principles, and theories, such as mechanical properties, the relationship between structure and properties as well as chemical structure and chemical bonding theory, to students without engaging them in the processes of chemical inquiry. This practice leads to the lack of opportunity for the students to construct an appropriate understanding of these concepts, principles, and theories. Students are also rarely facilitated in modeling the structure and function of matter themselves. This situation shows that the philosophy of chemistry has not received as much attention from chemistry educators. The main idea of this paper is to embed philosophy of chemistry through the implementation of technochemistry in chemistry education. One of the most interesting and rapidly developing areas of modern chemistry, technologies and engineering is Ionic Liquids (ILs) as an emerging knowledge on technochemistry which can be applied to chemistry education. The developments between academic researchers and industrial developments in the ILs area are conducted in parallel. In order to overcome the existing problems of scientific development in chemistry education, the science and technology of ILs can be used for reconceptualizing the teaching and learning of chemistry to embrace the epistemology in chemistry. This study promises a potential contribution by philosophy of chemistry. The main objectives of this study are to develop: (i) a perspective based on philosophy of science considerations (rational reconstruction) in order to understand ionic liquids and (ii) teaching materials that can be used to enhance pre-service teacher's view of nature of science and technology (VNOST). The method used in the study is analytical-descriptive (elementarization), i.e. the first step in the model of educational reconstruction (MER). This study concludes that the development of the concepts and their applications of ionic

Flux dynamics and magnetovoltage measurements in a macroscopic cylindrical hole drilled in BSCCO

International Nuclear Information System (INIS)

Yetis, H.; Altinkok, A.; Olutas, M.; Kilic, A.; Kilic, K.

2007-01-01

Slow transport relaxation measurements (V-t curves) and magnetovoltage measurements (V-H curves) were carried out in a polycrystalline sample of Bi 1.7 Pb 0.3 Sr 2 Ca 2 Cu 3 O x (BSCCO) with a macroscopic cylindrically drilled hole (CH). The time evolution of quenched state in V-t curves was interpreted in terms of enhancement of the superconducting order parameter and the relaxation of moving entity. Upon cycling of the external magnetic field with different sweep rates, unusual counter clockwise hysteresis effects and asymmetry in V-H curves are observed in BSCCO sample with CH, which can also be correlated to the trapping of the macroscopic flux bundles in CH

Flux dynamics and magnetovoltage measurements in a macroscopic cylindrical hole drilled in BSCCO

Science.gov (United States)

Yetiş, H.; Altinkok, A.; Olutaş, M.; Kiliç, A.; Kiliç, K.

2007-10-01

Slow transport relaxation measurements (V-t curves) and magnetovoltage measurements (V-H curves) were carried out in a polycrystalline sample of Bi1.7Pb0.3Sr2Ca2Cu3Ox (BSCCO) with a macroscopic cylindrically drilled hole (CH). The time evolution of quenched state in V-t curves was interpreted in terms of enhancement of the superconducting order parameter and the relaxation of moving entity. Upon cycling of the external magnetic field with different sweep rates, unusual counter clockwise hysteresis effects and asymmetry in V-H curves are observed in BSCCO sample with CH, which can also be correlated to the trapping of the macroscopic flux bundles in CH.

Computing protein infrared spectroscopy with quantum chemistry.

Science.gov (United States)

Besley, Nicholas A

2007-12-15

Quantum chemistry is a field of science that has undergone unprecedented advances in the last 50 years. From the pioneering work of Boys in the 1950s, quantum chemistry has evolved from being regarded as a specialized and esoteric discipline to a widely used tool that underpins much of the current research in chemistry today. This achievement was recognized with the award of the 1998 Nobel Prize in Chemistry to John Pople and Walter Kohn. As the new millennium unfolds, quantum chemistry stands at the forefront of an exciting new era. Quantitative calculations on systems of the magnitude of proteins are becoming a realistic possibility, an achievement that would have been unimaginable to the early pioneers of quantum chemistry. In this article we will describe ongoing work towards this goal, focusing on the calculation of protein infrared amide bands directly with quantum chemical methods.

Progress report, Chemistry and Materials Division, January 1 to March 31, 1977

International Nuclear Information System (INIS)

1977-04-01

Results are described of research on ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, computer calculating methods, analytical chemistry, deuterium exchange, radioactivity measurement, electrochemistry, mass spectrometry and fuel analysis, radiation chemistry, surface chemistry, and properties of zirconium base alloys. (E.C.B.)

Chemistry as a many-particle problem

International Nuclear Information System (INIS)

Berendsen, H.J.C.

1987-01-01

The relation between ab-initio or empirical interatomic interactions and macroscopic properties of materials of (bio) chemical interest can only be established through computer simulations. A short survey is given of the approximations made in modelling chemical systems by the method of molecular dynamics: possibilities and limitations are indicated. Emphasis is placed on the modelling of the more evasive properties free energy and entropy, which are of central interest when predictive power for equilibrium properties is required

On disentanglement of quantum wave functions: Answer to a comment on ''Unified dynamics for microscopic and macroscopic systems''

International Nuclear Information System (INIS)

Ghirardi, G.C.; Rimini, A.; Weber, T.

1987-06-01

It is shown that the assumption of a stochastic localization process for the quantum wave function is essentially different from the suppression of coherence over macroscopic distances arising from the interaction with the environment and allows for a conceptually complete derivation of the classical behaviour of macroscopic bodies. (author). 4 refs

Validity of macroscopic concepts for fluids on a microscopic scale

International Nuclear Information System (INIS)

Alder, B.J.; Alley, W.E.; Pollock, E.L.

1981-01-01

By Fourier decomposition of the appropriate fluctuation it is possible within the regime of linear response to extend the concept of both thermodynamic quantities and transport coefficients to their dependence on both wavelength and frequency. Experimentally these generalized macroscopic properties are accessible through neutron diffraction and, as examples, the dependence of the sound speed on wavelength and the diffusion coefficient on time are discussed. Through the molecular dynamics computer method the dependence of the viscosity on wavelength is calculated and applied with spectacular success to predict the dependence of the friction coefficient on the size of a Brownian particle all the way to atomic dimensions. On the other hand, the dielectric constant continuum concept, as applied to a charge or dipole in a cavity, generally fails to predict even the correct field at large distance from the charge. Avoiding the introduction of a cavity cures that problem, but the generalized dielectric constant fails badly in predicting the field at shorter distances from the charge. (orig.)

Estimation of strain from piezoelectric effect and domain switching in morphotropic PZT by combined analysis of macroscopic strain measurements and synchrotron X-ray data

International Nuclear Information System (INIS)

Kungl, Hans; Theissmann, Ralf; Knapp, Michael; Baehtz, Carsten; Fuess, Hartmut; Wagner, Susanne; Fett, Theo; Hoffmann, Michael J.

2007-01-01

Morphotropic PZT ceramics are State of the art materials for ferroelectric actuators. Essential performance parameters for these materials are strain and hysteresis. On a microscopic scale the strain provided by an electric field is due to two different mechanisms. The piezoelectric effect causes an elongation of the unit cells, whereas domain switching changes their crystallographic orientation by aligning the polarization axis towards the field direction. A method is outlined to estimate the contribution of the two mechanisms to total strain by combining macroscopic strain measurements and X-ray diffraction (XRD) data. Results from macroscopic measurements of remanent and unipolar strain with the corresponding data on texture, derived from in situ synchrotron radiation XRD patterns, are analyzed and evaluated by a semi-empirical approach. The method was applied to six morphotropic, LaSr doped PZT materials of different Zr/Ti ratios. Results are discussed with respect to the differences between the materials

Acidic deposition: State of science and technology. Report 14. Methods for projecting future changes in surface water acid-base chemistry. Final report

International Nuclear Information System (INIS)

Thornton, K.W.; Marmorek, D.; Ryan, P.F.; Heltcher, K.; Robinson, D.

1990-09-01

The objectives of the report are to: critically evaluate methods for projecting future effects of acidic deposition on surface water acid-base chemistry; review and evaluate techniques and procedures for analyzing projection uncertainty; review procedures for estimating regional lake and stream population attributes; review the U.S. Environmental Protection Agency (EPA) Direct/Delayed Response Project (DDRP) methodology for projecting the effects of acidic deposition on future changes in surface water acid-base chemistry; and present the models, uncertainty estimators, population estimators, and proposed approach selected to project the effects of acidic deposition on future changes in surface water acid-base chemistry in the NAPAP 1990 Integrated Assessment and discuss the selection rationale

An exploration for the macroscopic physical meaning of entropy

Institute of Scientific and Technical Information of China (English)

无

2010-01-01

The macroscopic physical meaning of entropy is analyzed based on the exergy (availability) of a combined system (a closed system and its environment), which is the maximum amount of useful work obtainable from the system and the environment as the system is brought into equilibrium with the environment. The process the system experiences can be divided in two sequent sub-processes, the process at constant volume, which represents the heat interaction of the system with the environment, and the adiabatic process, which represents the work interaction of the system with the environment. It is shown that the macroscopic physical meaning of entropy is a measure of the unavailable energy of a closed system for doing useful work through heat interaction. This statement is more precise than those reported in prior literature. The unavailability function of a closed system can be defined as T0S and p0V in volume constant process and adiabatic process, respectively. Their changes, that is, AiTgS) and A (p0V) represent the unusable parts of the internal energy of a closed system for doing useful work in corresponding processes. Finally, the relation between Clausius entropy and Boltzmann entropy is discussed based on the comparison of their expressions for absolute entropy.

From hot atom chemistry to epithermal chemistry

International Nuclear Information System (INIS)

Roessler, K.

2004-01-01

The rise and fall of hot atom chemistry (HAC) over the years from 1934 to 2004 is reviewed. Several applications are discussed, in particular to astrophysics and the interaction of energetic ions and atoms in space. Epithermal chemistry (ETC) is proposed to substitute the old name, since it better fits the energy range as well as the non-thermal and non-equilibrium character of the reactions. ETC also avoids the strong connexion of HAC to nuclear chemistry and stands for the opening of the field to physical chemistry and astrophysics. (orig.)

Macroscopic quantum tunneling of the magnetic moment

Science.gov (United States)

Tejada, J.; Hernandez, J. M.; del Barco, E.

1999-05-01

In this paper we review the work done on magnetic relaxation during the last 10 years on both single-domain particles and magnetic molecules and its contribution to the discovery of quantum tunneling of the magnetic moment (Chudnovsky and Tejada, Macroscopic Quantum tunneling of the Magnetic moment, Cambridge University press, Cambridge, 1998). We present first the theoretical expressions and their connection to quantum relaxation and secondly, we show and discuss the experimental results. Finally, we discuss very recent hysteresis data on Mn 12Ac molecules at extremely large sweeping rate for the external magnetic field which suggest the existence of quantum spin—phonon avalanches.

Macroscopic quantum tunneling in a dc SQUID

International Nuclear Information System (INIS)

Chen, Y.C.

1986-01-01

The theory of macroscopic quantum tunneling is applied to a current-biased dc SQUID whose dynamics can be described by a two-dimensional mechanical system with a dissipative environment. Based on the phenomenological model proposed by Caldeira and Leggett, the dissipative environment is represented by a set of harmonic oscillators coupling to the system. After integrating out the environmental degrees of freedom, an effective Euclidean action is found for the two-dimensional system. The action is used to provide the quantum tunneling rate formalism for the dc SQUID. Under certain conditions, the tunneling rate reduces to that of a single current-biased Josephson junction with an adjustable effective critical current

Mathematical Chemistry

OpenAIRE

Trinajstić, Nenad; Gutman, Ivan

2002-01-01

A brief description is given of the historical development of mathematics and chemistry. A path leading to the meeting of these two sciences is described. An attempt is made to define mathematical chemistry, and journals containing the term mathematical chemistry in their titles are noted. In conclusion, the statement is made that although chemistry is an experimental science aimed at preparing new compounds and materials, mathematics is very useful in chemistry, among other things, to produc...

Seismic scanning tunneling macroscope - Theory

KAUST Repository

Schuster, Gerard T.

2012-09-01

We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.

Seismic scanning tunneling macroscope - Theory

KAUST Repository

Schuster, Gerard T.; Hanafy, Sherif M.; Huang, Yunsong

2012-01-01

We propose a seismic scanning tunneling macroscope (SSTM) that can detect the presence of sub-wavelength scatterers in the near-field of either the source or the receivers. Analytic formulas for the time reverse mirror (TRM) profile associated with a single scatterer model show that the spatial resolution limit to be, unlike the Abbe limit of λ/2, independent of wavelength and linearly proportional to the source-scatterer separation as long as the point scatterer is in the near-field region; if the sub-wavelength scatterer is a spherical impedance discontinuity then the resolution will also be limited by the radius of the sphere. Therefore, superresolution imaging can be achieved as the scatterer approaches the source. This is analogous to an optical scanning tunneling microscope that has sub-wavelength resolution. Scaled to seismic frequencies, it is theoretically possible to extract 100 Hz information from 20 Hz data by imaging of near-field seismic energy.

Analysis of the Effect of Sequencing Lecture and Laboratory Instruction on Student Learning and Motivation Towards Learning Chemistry in an Organic Chemistry Lecture Course

Science.gov (United States)

Pakhira, Deblina

2012-01-01

Exposure to organic chemistry concepts in the laboratory can positively affect student performance, learning new chemistry concepts and building motivation towards learning chemistry in the lecture. In this study, quantitative methods were employed to assess differences in student performance, learning, and motivation in an organic chemistry…

Negative heat capacity at phase-separation in macroscopic systems

OpenAIRE

Gross, D. H. E.

2005-01-01

Systems with long-range as well with short-range interactions should necessarily have a convex entropy S(E) at proper phase transitions of first order, i.e. when a separation of phases occurs. Here the microcanonical heat capacity c(E)= -\\frac{(\\partial S/\\partial E)^2}{\\partial^2S/\\partial E^2} is negative. This should be observable even in macroscopic systems when energy fluctuations with the surrounding world can be sufficiently suppressed.

The death of the Job plot, transparency, open science and online tools, uncertainty estimation methods and other developments in supramolecular chemistry data analysis.

Science.gov (United States)

Brynn Hibbert, D; Thordarson, Pall

2016-10-25

Data analysis is central to understanding phenomena in host-guest chemistry. We describe here recent developments in this field starting with the revelation that the popular Job plot method is inappropriate for most problems in host-guest chemistry and that the focus should instead be on systematically fitting data and testing all reasonable binding models. We then discuss approaches for estimating uncertainties in binding studies using case studies and simulations to highlight key issues. Related to this is the need for ready access to data and transparency in the methodology or software used, and we demonstrate an example a webportal () that aims to address this issue. We conclude with a list of best-practice protocols for data analysis in supramolecular chemistry that could easily be translated to other related problems in chemistry including measuring rate constants or drug IC 50 values.

Yearly scientific meeting: chemistry in human health and environment protection. Bialystok'92

International Nuclear Information System (INIS)

1992-01-01

The conference has been divided into 12 sections devoted to following topics: analytical chemistry; environmental chemistry; chemistry of natural compounds; chemistry of pharmaceutics and toxic compounds; chemistry in medicine; electrochemistry; young scientists forum; didactics and history of chemistry; chemistry and industry - technologies environment friendly; new trends in polymer science; crystallochemistry; pro-ecological actions in leather industry. Different analytical methods for determination of heavy methods and rare earths have been presented. Some of them have been successfully applied for the examination of environmental and biological materials. The basic chemical and physico-chemical studies including thermodynamic, crystal structure, coordination chemistry, sorption properties etc. have been extensively resented. The existence of radioactive elements in environment has been also investigated, especially in respect to municipal and industrial wastes and products of their processing. The radiation effects for different materials have been reported and discussed as well

How can macroscopically normal peritoneum contribute to the pathogenesis of endometriosis?

Science.gov (United States)

Fassbender, Amelie; Overbergh, Lut; Verdrengh, Eefje; Kyama, Cleophas M; Vodolazakaia, Alexandra; Bokor, Attila; Meuleman, Christel; Peeraer, Karen; Tomassetti, Carla; Waelkens, Etienne; Mathieu, Chantal; D'Hooghe, Thomas

2011-09-01

This study indicates that the immunobiology of macroscopically normal peritoneum is relevant to understand the pathogenesis of endometriosis. Peritoneal interleukin 6, interleukin 12, and ferritin were differentially expressed in women with and without endometriosis. Copyright © 2011 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

BWR normal water chemistry guidelines: 1986 revision

International Nuclear Information System (INIS)

1988-09-01

Boiling water reactors (BWRs) have experienced stress corrosion cracking in the reactor cooling system piping resulting in adverse impacts on plant availability and personnel radiation exposure. The BWR Owners Group and EPRI have sponsored a major research and development program to provide remedies for this stress corrosion cracking problem. This work shows that the likelihood of cracking depends on the plant's water chemistry performance (environment) as well as on material condition and stress level. Plant experience and other research demonstrate that water quality also affects fuel performance and radiation field buildup in BWRs. This report,''BWR Normal Water Chemistry Guidelines: 1986 Revision,'' presents suggested generic water chemistry specifications, justifies the proposed water chemistry limits, suggests responses to out-of-specification water chemistry, discusses available chemical analysis methods as well as data management and surveillance schemes, and details the management philosophy required to successfully implement a water chemistry control program. An appendix contains recommendations for water quality of auxiliary systems. 73 refs., 20 figs., 9 tabs

A simple vibrating sample magnetometer for macroscopic samples

Science.gov (United States)

Lopez-Dominguez, V.; Quesada, A.; Guzmán-Mínguez, J. C.; Moreno, L.; Lere, M.; Spottorno, J.; Giacomone, F.; Fernández, J. F.; Hernando, A.; García, M. A.

2018-03-01

We here present a simple model of a vibrating sample magnetometer (VSM). The system allows recording magnetization curves at room temperature with a resolution of the order of 0.01 emu and is appropriated for macroscopic samples. The setup can be mounted with different configurations depending on the requirements of the sample to be measured (mass, saturation magnetization, saturation field, etc.). We also include here examples of curves obtained with our setup and comparison curves measured with a standard commercial VSM that confirms the reliability of our device.

Transport processes in macroscopically disordered media from mean field theory to percolation

CERN Document Server

Snarskii, Andrei A; Sevryukov, Vladimir A; Morozovskiy, Alexander; Malinsky, Joseph

2016-01-01

This book reflects on recent advances in the understanding of percolation systems to present a wide range of transport phenomena in inhomogeneous disordered systems. Further developments in the theory of macroscopically inhomogeneous media are also addressed. These developments include galvano-electric, thermoelectric, elastic properties, 1/f noise and higher current momenta, Anderson localization, and harmonic generation in composites in the vicinity of the percolation threshold. The book describes how one can find effective characteristics, such as conductivity, dielectric permittivity, magnetic permeability, with knowledge of the distribution of different components constituting an inhomogeneous medium. Considered are a wide range of recent studies dedicated to the elucidation of physical properties of macroscopically disordered systems. Aimed at researchers and advanced students, it contains a straightforward set of useful tools which will allow the reader to derive the basic physical properties of compli...

All-carbon nanotube diode and solar cell statistically formed from macroscopic network

Institute of Scientific and Technical Information of China (English)

Albert G. Nasibulin[1,2,3; Adinath M. Funde[3,4; Ilya V. Anoshkin[3; Igor A. Levitskyt[5,6

2015-01-01

Schottky diodes and solar cells are statistically created in the contact area between two macroscopic films of single-walled carbon nanotubes （SWNTs） at the junction of semiconducting and quasi-metallic bundles consisting of several high quality tubes. The n-doping of one of the films allows for photovoltaic action, owing to an increase in the built-in potential at the bundle-to-bundle interface. Statistical analysis demonstrates that the Schottky barrier device contributes significantly to the I-V characteristics, compared to the p-n diode. The upper limit of photovoltaic conversion efficiency has been estimated at N20%, demonstrating that the light energy conversion is very efficient for such a unique solar cell. While there have been multiple studies on rectifying SWNT diodes in the nanoscale environment, this is the first report of a macroscopic all-carbon nanotube diode and solar cell.

Laparoscopic vs open total mesorectal excision for rectal cancer: an evaluation of the mesorectum's macroscopic quality.

Science.gov (United States)

Breukink, S O; Grond, A J K; Pierie, J P E N; Hoff, C; Wiggers, T; Meijerink, W J H J

2005-03-01

Next to surgical margins, yield of lymph nodes, and length of bowel resected, macroscopic completeness of mesorectal excision may serve as another quality control of total mesorectal excision (TME). In this study, the macroscopic completeness of laparoscopic TME was evaluated. A series of 25 patients with rectal cancer were managed laparoscopically (LTME) and included in this study. The pathologic specimens of the LTME group were prospectively examined and matched with a historical group of resection specimens from patients who had undergone open TME (OTME). The two groups were matched for gender and type of resection (low anterior or abdominoperineal resection). Special care was given to the macroscopic judgment concerning the completeness of the mesorectum. A three-grade scoring system showed no differences between the LTME and OTME groups. The current study supports the hypothesis that oncologic resection using laparoscopic TME is feasible and adequate.

Electrically and mechanically induced macroscopic body couple, a newly recognized phenomenon of electromechanical interaction

International Nuclear Information System (INIS)

Chen, P.J.

1986-01-01

Microscopically, when the molecules of certain materials are under the influence of external stimuli such as mechanical and electrical forces, several processes can happen. In particular, the centers of charge of the positive and negative ions of a molecule may displace with respect to each other. This notion leads to the macroscopic concept of polarization which has been exploited in the classical studies of piezoelectric and ferroelectric materials. In addition, the ions of the molecule may also rotate angularly relative to one another. Here an entirely new macroscopic concept of body couple which differs from the classical concept is introduced. It is shown that the simplest representations of the proposed constitutive relations lead to an equation within the context of the classical bending theory of thin plates whose solution is in remarkable agreement with recent experimental results concerning the bending of thin virgin ferroelectric ceramic discs under the action of small d.c. voltages. These experimental results cannot be explained by the classical notion of polarization. Therefore, the concept of macroscopic body couple introduced here is a fundamental feature which must be taken into account in the considerations of electromechanical interactions

Gecko toe and lamellar shear adhesion on macroscopic, engineered rough surfaces.

Science.gov (United States)

Gillies, Andrew G; Henry, Amy; Lin, Hauwen; Ren, Angela; Shiuan, Kevin; Fearing, Ronald S; Full, Robert J

2014-01-15

The role in adhesion of the toes and lamellae - intermediate-sized structures - found on the gecko foot remains unclear. Insight into the function of these structures can lead to a more general understanding of the hierarchical nature of the gecko adhesive system, but in particular how environmental topology may relate to gecko foot morphology. We sought to discern the mechanics of the toes and lamellae by examining gecko adhesion on controlled, macroscopically rough surfaces. We used live Tokay geckos, Gekko gecko, to observe the maximum shear force a gecko foot can attain on an engineered substrate constructed with sinusoidal patterns of varying amplitudes and wavelengths in sizes similar to the dimensions of the toes and lamellae structures (0.5 to 6 mm). We found shear adhesion was significantly decreased on surfaces that had amplitudes and wavelengths approaching the lamella length and inter-lamella spacing, losing 95% of shear adhesion over the range tested. We discovered that the toes are capable of adhering to surfaces with amplitudes much larger than their dimensions even without engaging claws, maintaining 60% of shear adhesion on surfaces with amplitudes of 3 mm. Gecko adhesion can be predicted by the ratio of the lamella dimensions to surface feature dimensions. In addition to setae, remarkable macroscopic-scale features of gecko toes and lamellae that include compliance and passive conformation are necessary to maintain contact, and consequently, generate shear adhesion on macroscopically rough surfaces. Findings on the larger scale structures in the hierarchy of gecko foot function could provide the biological inspiration to drive the design of more effective and versatile synthetic fibrillar adhesives.

Advances in BWR water chemistry

International Nuclear Information System (INIS)

Garcia, Susan E.; Giannelli, Joseph F.; Jarvis, Mary L.

2012-09-01

This paper reviews recent advances in Boiling Water Reactor (BWR) water chemistry control with examples of plant experiences at U.S. designed BWRs. Water chemistry advances provide some of the most effective methods for mitigating materials degradation, reducing fuel performance concerns and lowering radiation fields. Mitigation of stress corrosion cracking (SCC) of materials remains a high priority and improved techniques that have been demonstrated in BWRs will be reviewed, specifically hydrogen injection combined with noble metal chemical addition (NMCA) and the newer on-line noble metal application process (OLNC). Hydrogen injection performance, an important part of SCC mitigation, will also be reviewed for the BWR fleet, highlighting system improvements that have enabled earlier injection of hydrogen including the potential for hydrogen injection during plant startup. Water chemistry has been significantly improved by the application of pre-filtration and optimized use of ion exchange resins in the CP (condensate polishing) and reactor water cleanup (RWCU) systems. EPRI has monitored and supported water treatment improvements to meet water chemistry goals as outlined in the EPRI BWR Water Chemistry Guidelines, particularly those for SCC mitigation of reactor internals and piping, minimization of fuel risk due to corrosion and crud deposits and chemistry control for radiation field reduction. In recent years, a significant reduction has occurred in feedwater corrosion product input, particularly iron. A large percentage of plants are now reporting <0.1 ppb feedwater iron. The impacts to plant operation and chemistry of lower feedwater iron will be explored. Depleted zinc addition is widely practiced across the fleet and the enhanced focus on radiation reduction continues to emphasize the importance of controlling radiation source term. In addition, shutdown chemistry control is necessary to avoid excessive release of activated corrosion products from fuel

Chromium Chemistry in the Subsurface

Science.gov (United States)

Chromium (VI) (Cr) is carcinogenic and a threat to human and ecological health. There are adequate and acceptable methods to characterize and assess Cr contaminated sites. Cr chemistry in the environment is well understood. There are documented methods to address Cr contaminat...

A comparison of macroscopic models describing the collective response of sedimenting rod-like particles in shear flows

KAUST Repository

Helzel, Christiane; Tzavaras, Athanasios

2016-01-01

We consider a kinetic model, which describes the sedimentation of rod-like particles in dilute suspensions under the influence of gravity, presented in Helzel and Tzavaras (submitted for publication). Here we restrict our considerations to shear flow and consider a simplified situation, where the particle orientation is restricted to the plane spanned by the direction of shear and the direction of gravity. For this simplified kinetic model we carry out a linear stability analysis and we derive two different nonlinear macroscopic models which describe the formation of clusters of higher particle density. One of these macroscopic models is based on a diffusive scaling, the other one is based on a so-called quasi-dynamic approximation. Numerical computations, which compare the predictions of the macroscopic models with the kinetic model, complete our presentation.

A comparison of macroscopic models describing the collective response of sedimenting rod-like particles in shear flows

KAUST Repository

Helzel, Christiane

2016-07-22

We consider a kinetic model, which describes the sedimentation of rod-like particles in dilute suspensions under the influence of gravity, presented in Helzel and Tzavaras (submitted for publication). Here we restrict our considerations to shear flow and consider a simplified situation, where the particle orientation is restricted to the plane spanned by the direction of shear and the direction of gravity. For this simplified kinetic model we carry out a linear stability analysis and we derive two different nonlinear macroscopic models which describe the formation of clusters of higher particle density. One of these macroscopic models is based on a diffusive scaling, the other one is based on a so-called quasi-dynamic approximation. Numerical computations, which compare the predictions of the macroscopic models with the kinetic model, complete our presentation.

The Need for Innovative Methods of Teaching and Learning Chemistry in Higher Education--Reflections from a Project of the European Chemistry Thematic Network

Science.gov (United States)

Eilks, Ingo; Byers, Bill

2010-01-01

This paper summarizes the work and conclusions of a working group established by the European Chemistry Thematic Network (ECTN). The aim of the working group was to identify potential areas for innovative approaches to the teaching and learning of chemistry in Higher Education, and to survey good practice throughout the EU. The paper starts by…

Models of gas-grain chemistry in interstellar cloud cores with a stochastic approach to surface chemistry

Science.gov (United States)

Stantcheva, T.; Herbst, E.

2004-08-01

We present a gas-grain model of homogeneous cold cloud cores with time-independent physical conditions. In the model, the gas-phase chemistry is treated via rate equations while the diffusive granular chemistry is treated stochastically. The two phases are coupled through accretion and evaporation. A small network of surface reactions accounts for the surface production of the stable molecules water, formaldehyde, methanol, carbon dioxide, ammonia, and methane. The calculations are run for a time of 107 years at three different temperatures: 10 K, 15 K, and 20 K. The results are compared with those produced in a totally deterministic gas-grain model that utilizes the rate equation method for both the gas-phase and surface chemistry. The results of the different models are in agreement for the abundances of the gaseous species except for later times when the surface chemistry begins to affect the gas. The agreement for the surface species, however, is somewhat mixed. The average abundances of highly reactive surface species can be orders of magnitude larger in the stochastic-deterministic model than in the purely deterministic one. For non-reactive species, the results of the models can disagree strongly at early times, but agree to well within an order of magnitude at later times for most molecules. Strong exceptions occur for CO and H2CO at 10 K, and for CO2 at 20 K. The agreement seems to be best at a temperature of 15 K. As opposed to the use of the normal rate equation method of surface chemistry, the modified rate method is in significantly better agreement with the stochastic-deterministic approach. Comparison with observations of molecular ices in dense clouds shows mixed agreement.

Flux dynamics and magnetovoltage measurements in a macroscopic cylindrical hole drilled in BSCCO

Energy Technology Data Exchange (ETDEWEB)

Yetis, H.; Altinkok, A.; Olutas, M. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey); Kilic, A. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey)], E-mail: kilic_a@ibu.edu.tr; Kilic, K. [Abant Izzet Baysal University, Department of Physics, Turgut Gulez Research Laboratory, 14280 Bolu (Turkey)

2007-10-01

Slow transport relaxation measurements (V-t curves) and magnetovoltage measurements (V-H curves) were carried out in a polycrystalline sample of Bi{sub 1.7}Pb{sub 0.3}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} (BSCCO) with a macroscopic cylindrically drilled hole (CH). The time evolution of quenched state in V-t curves was interpreted in terms of enhancement of the superconducting order parameter and the relaxation of moving entity. Upon cycling of the external magnetic field with different sweep rates, unusual counter clockwise hysteresis effects and asymmetry in V-H curves are observed in BSCCO sample with CH, which can also be correlated to the trapping of the macroscopic flux bundles in CH.

Chemistry teachers’ understanding of science process skills in relation of science process skills assessment in chemistry learning

Science.gov (United States)

Hikmah, N.; Yamtinah, S.; Ashadi; Indriyanti, N. Y.

2018-05-01

A Science process skill (SPS) is a fundamental scientific method to achieve good knowledge. SPS can be categorized into two levels: basic and integrated. Learning SPS helps children to grow as individuals who can access knowledge and know how to acquire it. The primary outcomes of the scientific process in learning are the application of scientific processes, scientific reasoning, accurate knowledge, problem-solving, and understanding of the relationship between science, technology, society, and everyday life’s events. Teachers’ understanding of SPS is central to the application of SPS in a learning process. Following this point, this study aims to investigate the high school chemistry teachers’ understanding of SPS pertains to their assessment of SPS in chemistry learning. The understanding of SPS is measured from the conceptual and operational aspects of SPS. This research uses qualitative analysis method, and the sample consists of eight chemistry teachers selected by random sampling. A semi-structured interview procedure is used to collect the data. The result of the analysis shows that teachers’ conceptual and operational understanding of SPS is weak. It affects the accuracy and appropriateness of the teacher’s selection of SPS assessment in chemistry learning.

Effect of the isovector coupling channel on the macroscopic part of ...

Indian Academy of Sciences (India)

Physics Department, Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syria. E-mail: pscientific@aec.org.sy. MS received 10 June 2012; revised 18 October 2012; accepted 12 December 2012. Abstract. The effect of isovector coupling channel on the macroscopic part of the nuclear binding energy is studied ...

New nuclear data set ABBN-90 and its testing on macroscopic experiments

International Nuclear Information System (INIS)

Kosh'cheev, V.N.; Manturov, G.N.; Nikolaev, M.N.; Rineyskiy, A.A.; Sinitsa, V.V.; Tsyboolya, A.M.; Zabrodskaya, S.V.

1993-01-01

The new group constant set ABBN-90 is developed now. It based on the FOND-2 evaluated neutron data library processed with the code GRUCON. Some results of the testing ABBN-90 set in different macroscopic experiments are presented. (author)

Industrial chemistry engineering

International Nuclear Information System (INIS)

1993-01-01

This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

Advanced chemistry management system to optimize BWR chemistry control

International Nuclear Information System (INIS)

Maeda, K.; Nagasawa, K.

2002-01-01

BWR plant chemistry control has close relationships among nuclear safety, component reliability, radiation field management and fuel integrity. Advanced technology is required to improve chemistry control [1,3,6,7,10,11]. Toshiba has developed TACMAN (Toshiba Advanced Chemistry Management system) to support BWR chemistry control. The TACMAN has been developed as response to utilities' years of requirements to keep plant operation safety, reliability and cost benefit. The advanced technology built into the TACMAN allows utilities to make efficient chemistry control and to keep cost benefit. TACMAN is currently being used in response to the needs for tools those plant chemists and engineers could use to optimize and identify plant chemistry conditions continuously. If an incipient condition or anomaly is detected at early stage, root causes evaluation and immediate countermeasures can be provided. Especially, the expert system brings numerous and competitive advantages not only to improve plant chemistry reliability but also to standardize and systematize know-how, empirical knowledge and technologies in BWR chemistry This paper shows detail functions of TACMAN and practical results to evaluate actual plant. (authors)

Radionuclides in analytical chemistry

International Nuclear Information System (INIS)

Tousset, J.

1984-01-01

Applications of radionuclides in analytical chemistry are reviewed in this article: tracers, radioactive sources and activation analysis. Examples are given in all these fields and it is concluded that these methods should be used more widely [fr

Introduction to nuclear chemistry

International Nuclear Information System (INIS)

Lieser, K.H.

1980-01-01

The study in this book begins with the periodic system of elements (chapter 1). The physical fundamentals necessary to understand nuclear chemistry are dealt with in chapter 2. Chapter 3 and 4 treat the influence of the mass number on the chemical behaviour (isotope effect) and the isotope separation methods thus based on this effect. A main topic is studied in chapter 5, the laws of radioactive decay, a second main topic is dealt with in chapter 8, nuclear reactions. The chemical effects of nuclear reactions are treated on their own chapter 9. Radiochemical reactions which are partly closely linked to the latter are only briefly discussed in chapter 10. The following chapters discuss the various application fields of nuclear chemistry. The large apparatus indispensable for nuclear chemistry is dealt with in a special chapter (chapter 12). Chapter 15 summarizes the manifold applications. (orig.) [de

Extension of Seismic Scanning Tunneling Macroscope to Elastic Waves

KAUST Repository

Tarhini, Ahmad; Guo, Bowen; Dutta, Gaurav; Schuster, Gerard T.

2017-01-01

The theory for the seismic scanning tunneling macroscope is extended from acoustic body waves to elastic body-wave propagation. We show that, similar to the acoustic case, near-field superresolution imaging from elastic body waves results from the O(1/R) term, where R is the distance between the source and near-field scatterer. The higher-order contributions R−n for n>1 are cancelled in the near-field region for a point source with normal stress.

Extension of Seismic Scanning Tunneling Macroscope to Elastic Waves

KAUST Repository

Tarhini, Ahmad

2017-11-06

The theory for the seismic scanning tunneling macroscope is extended from acoustic body waves to elastic body-wave propagation. We show that, similar to the acoustic case, near-field superresolution imaging from elastic body waves results from the O(1/R) term, where R is the distance between the source and near-field scatterer. The higher-order contributions R−n for n>1 are cancelled in the near-field region for a point source with normal stress.

Principles of Chemistry (by Michael Munowitz)

Science.gov (United States)

Kovac, Reviewed By Jeffrey

2000-05-01

At a time when almost all general chemistry textbooks seem to have become commodities designed by marketing departments to offend no one, it is refreshing to find a book with a unique perspective. Michael Munowitz has written what I can only describe as a delightful chemistry book, full of conceptual insight, that uses a novel and interesting pedagogic strategy. This is a book that has much to recommend it. This is the best-written general chemistry book I have ever read. An editor with whom I have worked recently remarked that he felt his job was to help authors make their writing sing. Well, the writing in Principles of Chemistry sings with the full, rich harmonies and creative inventiveness of the King's Singers or Chanticleer. Here is the first sentence of the introduction: "Central to any understanding of the physical world is one discovery of paramount importance, a truth disarmingly simple yet profound in its implications: matter is not continuous." This is prose to be savored and celebrated. Principles of Chemistry has a distinct perspective on chemistry: the perspective of the physical chemist. The focus is on simplicity, what is common about molecules and reactions; begin with the microscopic and build bridges to the macroscopic. The author's perspective is clear from the organization of the book. After three rather broad introductory chapters, there are four chapters that develop the quantum mechanical theory of atoms and molecules, including a strong treatment of molecular orbital theory. Unlike many books, Principles of Chemistry presents the molecular orbital approach first and introduces valence bond theory later only as an approximation for dealing with more complicated molecules. The usual chapters on descriptive inorganic chemistry are absent (though there is an excellent chapter on organic and biological molecules and reactions as well as one on transition metal complexes). Instead, descriptive chemistry is integrated into the development of

Progress report, Chemistry and Materials Division, October 1 to December 31, 1975

International Nuclear Information System (INIS)

1976-01-01

Interim research results are reported in solid state science (ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis), general chemistry (analytical chemistry, hydrogen-water exchange, radioactivity measurements, electrochemistry), physical chemistry (radiation and isotope chemistry), materials science (surface chemistry and metal physics), and university research (deuterium exchange and zirconium alloy properties). (E.C.B.)

Annual Report of Institute of Nuclear Chemistry and Technology 1997

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-10-01

The report is the collection of short communications being the review of the scientific activity of Institute of Nuclear Chemistry and Technology - Warsaw in 1997. The papers are gathered in several branches as follows: radiation chemistry and physics; radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general; radiobiology; nuclear technologies and methods. The annual report of INCT-1997 contains also the general information about INCT as well as the full list of scientific papers being published by the staff in 1997

Annual Report of Institute of Nuclear Chemistry and Technology 1997

International Nuclear Information System (INIS)

1998-06-01

The report is the collection of short communications being the review of the scientific activity of Institute of Nuclear Chemistry and Technology - Warsaw in 1997. The papers are gathered in several branches as follows: radiation chemistry and physics; radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general; radiobiology; nuclear technologies and methods. The annual report of INCT-1997 contains also the general information about INCT as well as the full list of scientific papers being published by the staff in 1997

Simultaneous assessment of phase chemistry, phase abundance and bulk chemistry with statistical electron probe micro-analyses: Application to cement clinkers

Energy Technology Data Exchange (ETDEWEB)

Wilson, William; Krakowiak, Konrad J.; Ulm, Franz-Josef, E-mail: ulm@mit.edu

2014-01-15

According to recent developments in cement clinker engineering, the optimization of chemical substitutions in the main clinker phases offers a promising approach to improve both reactivity and grindability of clinkers. Thus, monitoring the chemistry of the phases may become part of the quality control at the cement plants, along with the usual measurements of the abundance of the mineralogical phases (quantitative X-ray diffraction) and the bulk chemistry (X-ray fluorescence). This paper presents a new method to assess these three complementary quantities with a single experiment. The method is based on electron microprobe spot analyses, performed over a grid located on a representative surface of the sample and interpreted with advanced statistical tools. This paper describes the method and the experimental program performed on industrial clinkers to establish the accuracy in comparison to conventional methods. -- Highlights: •A new method of clinker characterization •Combination of electron probe technique with cluster analysis •Simultaneous assessment of phase abundance, composition and bulk chemistry •Experimental validation performed on industrial clinkers.

Simultaneous assessment of phase chemistry, phase abundance and bulk chemistry with statistical electron probe micro-analyses: Application to cement clinkers

International Nuclear Information System (INIS)

Wilson, William; Krakowiak, Konrad J.; Ulm, Franz-Josef

2014-01-01

According to recent developments in cement clinker engineering, the optimization of chemical substitutions in the main clinker phases offers a promising approach to improve both reactivity and grindability of clinkers. Thus, monitoring the chemistry of the phases may become part of the quality control at the cement plants, along with the usual measurements of the abundance of the mineralogical phases (quantitative X-ray diffraction) and the bulk chemistry (X-ray fluorescence). This paper presents a new method to assess these three complementary quantities with a single experiment. The method is based on electron microprobe spot analyses, performed over a grid located on a representative surface of the sample and interpreted with advanced statistical tools. This paper describes the method and the experimental program performed on industrial clinkers to establish the accuracy in comparison to conventional methods. -- Highlights: •A new method of clinker characterization •Combination of electron probe technique with cluster analysis •Simultaneous assessment of phase abundance, composition and bulk chemistry •Experimental validation performed on industrial clinkers

Current organic chemistry

National Research Council Canada - National Science Library

1997-01-01

Provides in depth reviews on current progress in the fields of asymmetric synthesis, organometallic chemistry, bioorganic chemistry, heterocyclic chemistry, natural product chemistry, and analytical...

Microscopic and macroscopic models for the onset and progression of Alzheimer's disease

Science.gov (United States)

Bertsch, Michiel; Franchi, Bruno; Carla Tesi, Maria; Tosin, Andrea

2017-10-01

In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo. In Achdou et al (2013 J. Math. Biol. 67 1369-92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol. 34 193-214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β-Amyloid (Aβ from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia Aβ monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution function of the

Aquatic Chemistry

International Nuclear Information System (INIS)

Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

1987-07-01

This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

Combinatorial chemistry

DEFF Research Database (Denmark)

Nielsen, John

1994-01-01

An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

Smart Surface Chemistries of Conducting Polymers

DEFF Research Database (Denmark)

Lind, Johan Ulrik

In this thesis we investigate post-polymerization covalent modifications of poly(3,4-dioxythiophene (PEDOT)-type conducting polymers. The aim of the modifications is to gain specific control of the interaction between the material and living mammalian cells. The use of “click-chemistry” to modify...... a straightforward and in-expensive method for patterning conducting polymer thin films into microelectrodes, without losing control of the surface chemistry of the samples. On the contrary, the method provides direct control of the surface chemistry of both the fabricated micro-electrodes and the gaps between them....... The method is based on locally removing PEDOTtype polymers to expose underlying non-conducting functional polymer substrates. Thereby, multifunctional substrates are obtained. By applying this method, we are able to fabricate allpolymer micro-systems with multiple types of localized functional (bio...

Forensic Chemistry

Science.gov (United States)

Bell, Suzanne

2009-07-01

Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

Partitioning a macroscopic system into independent subsystems

Science.gov (United States)

Delle Site, Luigi; Ciccotti, Giovanni; Hartmann, Carsten

2017-08-01

We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several fields of theoretical and applied physics. The thermodynamic approach currently favoured by practitioners is based on a phenomenological definition of an interface energy associated with the partition, due to a lack of easily computable expressions for a microscopic (i.e. particle-based) interface energy. In this article, we outline a general approach to derive sharp and computable bounds for the interface free energy in terms of microscopic statistical quantities. We discuss potential applications in nanothermodynamics and outline possible future directions.

Radiation chemistry and its applications

International Nuclear Information System (INIS)

1968-01-01

In recent years considerable progress has been made in understanding the fundamental chemical reactions that occur when materials are irradiated. This has followed from the development of new techniques for studying these reactions. The International Atomic Energy Agency held a Panel on Radiation Chemistry in Vienna on 17-21 April 1967, to review the current status of various sources, new techniques in radiation chemistry, and their applications. The main sources mentioned by the Panel were isotope sources, electron accelerators, and chemonuclear reactors. Among the basic techniques discussed were pulsed radiolysis, flash photolysis, fast ESR methods, irradiation at liquid helium temperatures, electric discharge methods and far ultra-violet methods. Interesting industrial applications were discussed, such as the development of wood-plastic combinations, and a paper was given on the curing of paints and thin films Refs, figs and tabs

Institute of Nuclear Chemistry and Technology annual report 1995

International Nuclear Information System (INIS)

1996-01-01

The report is a collection of short communications being a review of scientific activity of the Institute of Nuclear Chemistry and Technology (INCT), Warsaw, in 1995. The papers are gathered in several branches as follows: radiation chemistry and physics (15); radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general (23); radiobiology (7); nuclear technologies and methods (21); nucleonic control systems (5). The Annual Report of INCT - 1995 contains also a general information about the staff and organization of the Institute, the full list of scientific publications and patents, conferences organized by INCT, thesis and list of projects granted by Polish and international organizations

Institute of Nuclear Chemistry and Technology annual report 1995

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-12-31

The report is a collection of short communications being a review of scientific activity of the Institute of Nuclear Chemistry and Technology (INCT), Warsaw, in 1995. The papers are gathered in several branches as follows: radiation chemistry and physics (15); radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general (23); radiobiology (7); nuclear technologies and methods (21); nucleonic control systems (5). The Annual Report of INCT - 1995 contains also a general information about the staff and organization of the Institute, the full list of scientific publications and patents, conferences organized by INCT, thesis and list of projects granted by Polish and international organizations.

Institute of Nuclear Chemistry and Technology annual report 1995

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

The report is a collection of short communications being a review of scientific activity of the Institute of Nuclear Chemistry and Technology (INCT), Warsaw, in 1995. The papers are gathered in several branches as follows: radiation chemistry and physics (15); radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general (23); radiobiology (7); nuclear technologies and methods (21); nucleonic control systems (5). The Annual Report of INCT - 1995 contains also a general information about the staff and organization of the Institute, the full list of scientific publications and patents, conferences organized by INCT, thesis and list of projects granted by Polish and international organizations.

Distinct molecular features of different macroscopic subtypes of colorectal neoplasms.

Directory of Open Access Journals (Sweden)

Kenichi Konda

Full Text Available Colorectal adenoma develops into cancer with the accumulation of genetic and epigenetic changes. We studied the underlying molecular and clinicopathological features to better understand the heterogeneity of colorectal neoplasms (CRNs.We evaluated both genetic (mutations of KRAS, BRAF, TP53, and PIK3CA, and microsatellite instability [MSI] and epigenetic (methylation status of nine genes or sequences, including the CpG island methylator phenotype [CIMP] markers alterations in 158 CRNs including 56 polypoid neoplasms (PNs, 25 granular type laterally spreading tumors (LST-Gs, 48 non-granular type LSTs (LST-NGs, 19 depressed neoplasms (DNs and 10 small flat-elevated neoplasms (S-FNs on the basis of macroscopic appearance.S-FNs showed few molecular changes except SFRP1 methylation. Significant differences in the frequency of KRAS mutations were observed among subtypes (68% for LST-Gs, 36% for PNs, 16% for DNs and 6% for LST-NGs (P<0.001. By contrast, the frequency of TP53 mutation was higher in DNs than PNs or LST-Gs (32% vs. 5% or 0%, respectively (P<0.007. We also observed significant differences in the frequency of CIMP between LST-Gs and LST-NGs or PNs (32% vs. 6% or 5%, respectively (P<0.005. Moreover, the methylation level of LINE-1 was significantly lower in DNs or LST-Gs than in PNs (58.3% or 60.5% vs. 63.2%, P<0.05. PIK3CA mutations were detected only in LSTs. Finally, multivariate analyses showed that macroscopic morphologies were significantly associated with an increased risk of molecular changes (PN or LST-G for KRAS mutation, odds ratio [OR] 9.11; LST-NG or DN for TP53 mutation, OR 5.30; LST-G for PIK3CA mutation, OR 26.53; LST-G or DN for LINE-1 hypomethylation, OR 3.41.We demonstrated that CRNs could be classified into five macroscopic subtypes according to clinicopathological and molecular differences, suggesting that different mechanisms are involved in the pathogenesis of colorectal tumorigenesis.

The Brazilian medicinal chemistry from 1998 to 2008 in the Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry [A química medicinal brasileira de 1998 a 2008 nos periódicos Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry

OpenAIRE

Bárbara Vasconcellos da Silva; Renato Saldanha Bastos; Angelo da Cunha Pinto

2009-01-01

In this article we present the Brazilian publications, the research groups involved, the contributions per states and the main diseases studied from 1998 to 2008 in the following periodicals: Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry.

Quantum teleportation between stationary macroscopic objects

Energy Technology Data Exchange (ETDEWEB)

Bao, Xiao-Hui; Yuan, Zhen-Sheng; Pan, Jian-Wei [Physikalisches Institut, Universitaet Heidelberg (Germany); Hefei National Laboratory for Physical Sciences at Microscale, Department of Modern Physics, University of Science and Technology of China, Hefei (China); Xu, Xiao-Fan [Physikalisches Institut, Universitaet Heidelberg (Germany); Li, Che-Ming [Physikalisches Institut, Universitaet Heidelberg (Germany); Department of Physics, National Center for Theoretical Sciences, National Cheng Kung University, Tainan (China)

2010-07-01

Quantum teleportation is a process to transfer a quantum state of an object without transferring the state carrier itself. So far, most of the teleportation experiments realized are within the photonic regime. For the teleportation of stationary states, the largest system reported is a single ion. We are now performing an experiment to teleport the state of an macroscopic atomic cloud which consists about 10{sup 6} single atoms. In our experiment two atomic ensembles are utilized. In the first ensemble A we prepare the collective atomic state to be teleported using the quantum feedback technique. The second ensemble B is utilized to generate entanglement between it collective state with a scattered single-photon. Teleportation is realized by converting the atomic state of A to a single-photon and making a Bell state measurement with the scattered single-photon from ensemble B.

Bad chemistry

OpenAIRE

Petsko, Gregory A

2004-01-01

General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

Macroscopic description of complex adaptive networks coevolving with dynamic node states

Science.gov (United States)

Wiedermann, Marc; Donges, Jonathan F.; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

2015-05-01

In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface

Science.gov (United States)

Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei

2015-10-01

Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component “Recognition-Mediating-Function” design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.

Toward a superconducting quantum computer. Harnessing macroscopic quantum coherence.

Science.gov (United States)

Tsai, Jaw-Shen

2010-01-01

Intensive research on the construction of superconducting quantum computers has produced numerous important achievements. The quantum bit (qubit), based on the Josephson junction, is at the heart of this research. This macroscopic system has the ability to control quantum coherence. This article reviews the current state of quantum computing as well as its history, and discusses its future. Although progress has been rapid, the field remains beset with unsolved issues, and there are still many new research opportunities open to physicists and engineers.

Emanation thermal analysis. Application in solid state chemistry, analytical chemistry and engineering

International Nuclear Information System (INIS)

Balek, V.; Tel'deshi, Yu.

1986-01-01

Voluminous material on application of emenation thermal analysis for investigation of solids is systematized. General concepts and historical review of development of the method are given. Methods of introduction of inert gases into solids are considered. Theoretical aspects of inert gas evolution from solids labelled by radioactive gas or its maternal isotope are stated. The methods for measuring inert gases are considered. The possibilities, limitations and perspectives of development of radiometric emanation methods for the solution of various problems of analytical chemistry and thechnology are discussed

Soft chemistry preparation methods and properties of strontiumtitanate nanoparticles

Czech Academy of Sciences Publication Activity Database

Makarova, Marina; Dejneka, Alexandr; Franc, Jiří; Drahokoupil, Jan; Jastrabík, Lubomír; Trepakov, Vladimír

2010-01-01

Roč. 32, č. 8 (2010), s. 803-806 ISSN 0925-3467 R&D Projects: GA ČR GA202/08/1009; GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522; CEZ:AV0Z40400503 Keywords : SrTiO 3 * nanoparticles * soft chemistry * lattice constant Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.679, year: 2010

Electron spin interactions in chemistry and biology fundamentals, methods, reactions mechanisms, magnetic phenomena, structure investigation

CERN Document Server

Likhtenshtein, Gertz

2016-01-01

This book presents the versatile and pivotal role of electron spin interactions in nature. It provides the background, methodologies and tools for basic areas related to spin interactions, such as spin chemistry and biology, electron transfer, light energy conversion, photochemistry, radical reactions, magneto-chemistry and magneto-biology. The book also includes an overview of designing advanced magnetic materials, optical and spintronic devices and photo catalysts. This monograph appeals to scientists and graduate students working in the areas related to spin interactions physics, biophysics, chemistry and chemical engineering.

Evaluation of healing potential of autogenous, macroscopic fat deposited or fat free, omental graft in experimental radius bone defect in rabbit: Radiological study

International Nuclear Information System (INIS)

Masouleh, M.N.; Haghdoost, I.S.; Heydari, G.A.C.; Raissi, A.; Mohitmafi, S.

2011-01-01

This study was designed for evaluation of the difference between the ability of greater omentum graft with or without macroscopic fat deposition in acceleration of bone healing process. Adult female New Zealand white rabbits (n=15) were randomly divided into three equal groups. In groups A and B, the drilled hole on the left radius was filled by the omentum without and with macroscopic fat deposition, respectively while drilled hole on the right radius left intact for consideration as control. In group C, the drilled hole on the left and right radius was filled by the omentum sample with and without macroscopic fat deposition, respectively. Experimental bone defects on the radiuses were secured by the pieces of greater omentum, with or without macroscopic fat deposition, which obtained as an autogenous graft from each rabbit in accompany with control samples. Standardized serial radiography for evaluation of bone healing was performed and the difference in bone healing process in three groups of study was determined. According to the obtained data, the radius bones which filled by omentum without macroscopic fat deposition showed faster healing process than the radius bones which filled by omentum with macroscopic fat deposition (P<0.05). (author)

Non-thermally activated chemistry

International Nuclear Information System (INIS)

Stiller, W.

1987-01-01

The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

Water chemistry in boiling water reactors - A Leibstadt-specific overview

International Nuclear Information System (INIS)

Sarott, F.-A.

2005-01-01

The boiling water reactor (BWR) consists of two main water circuits: the water-steam cycle and the main cooling water system. In the introduction, the goals and tasks of the BWR plant chemistry are described. The most important objectives are the prevention of system degradation by corrosion and the minimisation of radiation fields. Then a short description of the BWR operation principle, including the water steam cycle, the transport of various impurities by the steam, removing impurities from the condensate, the reactor water clean-up system, the balance of plant and the main cooling water system, is given. Subsequently, the focus is set on the water-steam cycle chemistry. In order to fulfil the somewhat contradictory requirements, the chemical parameters must be well balanced. This is achieved by the water chemistry control method called 'normal water chemistry'. Other additional methods are used for the solution to different problems. The 'zinc addition method' is applied to reduce high radiation levels around the recirculation loops. The 'hydrogen water chemistry method' and the 'noble metal chemical addition method' are used to protect the reactor core components and piping made of stainless steel against stress corrosion cracking. This phenomenon has been observed for about 40 years and is partly due to the strong oxidising conditions in the BWR water. Both mitigation methods are used by the majority of the BWR plants all over the world (including the two Swiss NPPs Muehleberg and Leibstadt). (author)

A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

Science.gov (United States)

Grossman, B.; Garrett, J.; Cinnella, P.

1989-01-01

Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

Comparison of prevalence estimation of Mycobacterium avium subsp. paratuberculosis infection by sampling slaughtered cattle with macroscopic lesions vs. systematic sampling.

Science.gov (United States)

Elze, J; Liebler-Tenorio, E; Ziller, M; Köhler, H

2013-07-01

The objective of this study was to identify the most reliable approach for prevalence estimation of Mycobacterium avium ssp. paratuberculosis (MAP) infection in clinically healthy slaughtered cattle. Sampling of macroscopically suspect tissue was compared to systematic sampling. Specimens of ileum, jejunum, mesenteric and caecal lymph nodes were examined for MAP infection using bacterial microscopy, culture, histopathology and immunohistochemistry. MAP was found most frequently in caecal lymph nodes, but sampling more tissues optimized the detection rate. Examination by culture was most efficient while combination with histopathology increased the detection rate slightly. MAP was detected in 49/50 animals with macroscopic lesions representing 1.35% of the slaughtered cattle examined. Of 150 systematically sampled macroscopically non-suspect cows, 28.7% were infected with MAP. This indicates that the majority of MAP-positive cattle are slaughtered without evidence of macroscopic lesions and before clinical signs occur. For reliable prevalence estimation of MAP infection in slaughtered cattle, systematic random sampling is essential.

The Chemistry of Curcumin: From Extraction to Therapeutic Agent

Directory of Open Access Journals (Sweden)

Kavirayani Indira Priyadarsini

2014-12-01

Full Text Available Curcumin, a pigment from turmeric, is one of the very few promising natural products that has been extensively investigated by researchers from both the biological and chemical point of view. While there are several reviews on the biological and pharmacological effects of curcumin, chemistry reviews are comparatively scarcer. In this article, an overview of different aspects of the unique chemistry research on curcumin will be discussed. These include methods for the extraction from turmeric, laboratory synthesis methods, chemical and photochemical degradation and the chemistry behind its metabolism. Additionally other chemical reactions that have biological relevance like nucleophilic addition reactions, and metal chelation will be discussed. Recent advances in the preparation of new curcumin nanoconjugates with metal and metal oxide nanoparticles will also be mentioned. Directions for future investigations to be undertaken in the chemistry of curcumin have also been suggested.

Energetic macroscopic representation and inversion-based control of a CVT-based HEV

NARCIS (Netherlands)

Chouhou, M.; Grée, F.; Jivan, C.; Bouscayrol, A.; Hofman, T.

2014-01-01

A Continuous Variable Transmission (CVT) is introduced in the simulation model of a Hybrid Electric Vehicle (HEV). The CVT-based vehicle simulation and its control are deduced from the Energetic Macroscopic Representation (EMR). Simulations are provided to show the interest of the CVT in term of

Energetic macroscopic representation and inversion- based control of a CVT-based HEV

NARCIS (Netherlands)

Chouhou, M.; Grée, F.; Jivan, C.; Bouscayrol, A.; Hofman, T.

2013-01-01

A Continuous Variable Transmission (CVT) is introduced in the simulation model of a Hybrid Electric Vehicle (HEV). The CVT-based vehicle simulation and its control are deduced from the Energetic Macroscopic Representation (EMR). Simulations are provided to show the interest of the CVT in term of

Bilateral subacromial bursitis with macroscopic rice bodies: Ultrasound, CT and MR appearance

International Nuclear Information System (INIS)

Law, T.C.; Chong, S.F.; Lu, P.P.; Mak, K.H.

1998-01-01

The radiological findings of ultrasound, CT and MR of a case of bilateral subacromial bursitis with macroscopic rice bodies is described. MRI is the investigation of choice and the intravenous gadolinium-enhanced usefulness was noted. The previous literature is also reviewed. Copyright (1998) Blackwell Science Pty Ltd

Lability of Nanoparticulate Metal Complexes at a Macroscopic Metal Responsive (Bio)interface

NARCIS (Netherlands)

Duval, Jérôme F.L.; Town, Raewyn M.; Leeuwen, Van Herman P.

2018-01-01

The lability of metal complexes expresses the extent of the dissociative contribution of the complex species to the flux of metal ions toward a macroscopic metal-responsive (bio)interface, for example, an electrodic sensor or an organism. While the case of molecular ligands is well-established, it

Self-similar drag reduction in plug-flow of suspensions of macroscopic fibers

NARCIS (Netherlands)

Gillissen, J.J.J.; Hoving, J.P.

2012-01-01

Pipe flow experiments show that turbulent drag reduction in plug-flow of concentrated suspensions of macroscopic fibers is a self-similar function of the wall shear stress over the fiber network yield stress. We model the experimental observations, by assuming a central fiber network plug, whose

The influence of microscopic and macroscopic non-stoichiometry on interfacial planarity during the solid-phase epitaxial growth of amorphized GaAs

International Nuclear Information System (INIS)

Belay, K.B.; Ridgway, M.C.; Llewellyn, D.J.

1996-01-01

The influence of microscopic and macroscopic non-stoichiometry on the Solid-Phase Epitaxial Growth of GaAs has been studied. Ion implantation has been employed to produce microscopic non-stoichiometry via Ga and As implants and macroscopic non-stoichiometry via Ga or As implants. In-situ Time Resolved Reflectivity and Transmission Electron Microscopy and ex-situ Rutherford Backscattering Spectroscopy and Channeling have been used to investigate the regrowth of amorphized GaAs layers. As non-stoichiometry shifts from microscopic to macroscopic the interface loses its planar nature and subsequently gets rougher. 7 refs., 3 figs

The influence of microscopic and macroscopic non-stoichiometry on interfacial planarity during the solid-phase epitaxial growth of amorphized GaAs

Energy Technology Data Exchange (ETDEWEB)

Belay, K.B.; Ridgway, M.C.; Llewellyn, D.J. [Australian National Univ., Canberra, ACT (Australia). Dept. of Physics

1996-12-31

The influence of microscopic and macroscopic non-stoichiometry on the Solid-Phase Epitaxial Growth of GaAs has been studied. Ion implantation has been employed to produce microscopic non-stoichiometry via Ga and As implants and macroscopic non-stoichiometry via Ga or As implants. In-situ Time Resolved Reflectivity and Transmission Electron Microscopy and ex-situ Rutherford Backscattering Spectroscopy and Channeling have been used to investigate the regrowth of amorphized GaAs layers. As non-stoichiometry shifts from microscopic to macroscopic the interface loses its planar nature and subsequently gets rougher. 7 refs., 3 figs.

The influence of microscopic and macroscopic non-stoichiometry on interfacial planarity during the solid-phase epitaxial growth of amorphized GaAs

Energy Technology Data Exchange (ETDEWEB)

Belay, K B; Ridgway, M C; Llewellyn, D J [Australian National Univ., Canberra, ACT (Australia). Dept. of Physics

1997-12-31

The influence of microscopic and macroscopic non-stoichiometry on the Solid-Phase Epitaxial Growth of GaAs has been studied. Ion implantation has been employed to produce microscopic non-stoichiometry via Ga and As implants and macroscopic non-stoichiometry via Ga or As implants. In-situ Time Resolved Reflectivity and Transmission Electron Microscopy and ex-situ Rutherford Backscattering Spectroscopy and Channeling have been used to investigate the regrowth of amorphized GaAs layers. As non-stoichiometry shifts from microscopic to macroscopic the interface loses its planar nature and subsequently gets rougher. 7 refs., 3 figs.

Green chemistry: A tool in Pharmaceutical Chemistry

OpenAIRE

Smita Talaviya; Falguni Majumdar

2012-01-01

Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...

Collections for terminology in chemistry

International Nuclear Information System (INIS)

1974-08-01

This book describes terminology in chemistry, which is divided into seven chapters. The contents of this book are element name, names of an inorganic compound such as ion and radical and polyacid, an organic compound on general principle and names, general terminology 1 and 2, unit and description method on summary, unit and the symbol for unit, number and pH, Korean mark for people's name in chemistry, names of JUPAC organic compound of summary, hydrocarbons, fused polycyclic hydrocarbons, bridged hydrocarbons, cyclic hydrocarbons with side chains, terpenes hydrocarbons, fundamental heterocyclic systems and heterocyclic spiro compounds.

Course on Advanced Analytical Chemistry and Chromatography

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov; Fristrup, Peter; Nielsen, Kristian Fog

2011-01-01

Methods of analytical chemistry constitute an integral part of decision making in chemical research, and students must master a high degree of knowledge, in order to perform reliable analysis. At DTU departments of chemistry it was thus decided to develop a course that was attractive to master...... students of different direction of studies, to Ph.D. students and to professionals that need an update of their current state of skills and knowledge. A course of 10 ECTS points was devised with the purpose of introducing students to analytical chemistry and chromatography with the aim of including theory...

Diffusion in condensed matter methods, materials, models

CERN Document Server

Kärger, Jörg

2005-01-01

Diffusion as the process of particle transport due to stochastic movement is a phenomenon of crucial relevance for a large variety of processes and materials. This comprehensive, handbook- style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. Leading experts in the field describe in 23 chapters the different aspects of diffusion, covering microscopic and macroscopic experimental techniques and exemplary results for various classes of solids, liquids and interfaces as well as several theoretical concepts and models. Students and scientists in physics, chemistry, materials science, and biology will benefit from this detailed compilation.

An ideal teaching program of nuclear chemistry in the undergraduate chemistry curriculum

International Nuclear Information System (INIS)

Uenak, T.

2009-01-01

It is well known that several reports on the common educational problems of nuclear chemistry have been prepared by certain groups of experts from time to time. According to very important statements in these reports, nuclear chemistry and related courses generally do not take sufficient importance in undergraduate chemistry curricula and it was generally proposed that nuclear chemistry and related courses should be introduced into undergraduate chemistry curricula at universities worldwide. Starting from these statements, an ideal program in an undergraduate chemistry curriculum was proposed to be introduced into the undergraduate chemistry program at the Department of Chemistry, Ege University, in Izmir, Turkey during the regular updating of the chemistry curriculum. Thus, it has been believed that this Department of Chemistry has recently gained an ideal teaching program in the field of nuclear chemistry and its applications in scientific, industrial, and medical sectors. In this contribution, the details of this program will be discussed. (author)

Mendeleev-2013. VII All-Russian conference of young scientists, postgraduate students and students with international participation on chemistry and nanomaterials. Book of abstracts. Section 2. Analytic chemistry

International Nuclear Information System (INIS)

2013-01-01

VII All-Russian conference of young scientists, postgraduate students and students with international participation on chemistry and nanomaterials was conducted on the Chemistry department of Saint-Petersburg University on April, 2-5, 2013. In the conference participants from 14 countries took part. There were five sections: Nanochemistry and nanomaterials, Analytic chemistry, Inorganic chemistry, Organic chemistry, Physical chemistry. In the collection (Section 2 - Analytic chemistry) there are the abstracts concerning determination of heavy metals in environmental samples, petroleum products, different biological active and toxic substances in human tissues, food products and water; usage of nanoparticles for modification of electrodes for electrochemical methods of analysis, etc [ru

NCAW feed chemistry: Effect of starting chemistry on melter offgas and iron redox

International Nuclear Information System (INIS)

Smith, P.A.; Vienna, J.D.; Merz, M.D.

1995-03-01

The Pacific Northwest Laboratory (PNL) Vitrification Technology Development (PVTD) program has been established to develop technology to support immobilization of selected Hanford wastes. The effort of the PVTD program is directed by the U.S. Department of Energy (DOE). This report is part of the effort and focuses on the effect of starting waste chemistry on the vitrification process. The objective of the investigation was the evaluation of the effect of starting chemistry on the cold cap behavior in the vitrification of simulated neutralized current acid waste (NCAW). In addition this investigation provides an initial laboratory investigation of the cold cap and method for evaluation of alternate reductants

Tracer sorption and macroscopic transport in clay nano-pores: a lattice-Boltzmann study

International Nuclear Information System (INIS)

Levesque, Maximilien; Rotenberg, Benjamin; Duvail, Magali; Benichou, Olivier; Voituriez, Raphael; Pagonabarraga, Ignacio; Frenkel, Daan

2012-01-01

Document available in extended abstract form only. The Agence Nationale pour la gestion des Dechets Radioactifs (ANDRA) has been entrusted to find a safe solution for disposing of existing and future nuclear wastes. A prototype site has been considered for the waste disposal in a deep underground sedimentary geological formation. It is composed of clay minerals chosen, among other reasons, for their remarkable ability to limit radionuclide transport. Clay minerals are complex charged porous media characterized by heterogeneities at several length scales. They naturally occur as an assembly of few nano-meter-sized particles connected to form 10 to 100 nm interparticle pores containing water and ions. This intrinsically multi-scale structure, that gives the material its remarkable properties, makes the description of sorption and transport phenomena of transported ions particularly challenging. Experimental studies of water and ion transport through clays mostly consist in evaluating macroscopic effective transport coefficients like permeability or conductivity. They showed that the main transport mechanism is an effective diffusion that not only depends on particle charge but also on its chemical nature, or specificity. The goal of assessing the performance of clays as confinement barriers, particularly in the context of the geological disposal of nuclear waste, requires not only quantitative prediction of the retention and transport of species but also an understanding of the microscopic mechanisms underlying them. A successful approach has been to use numerical simulations via the Lattice-Boltzmann method (LB). It consists in making evolve populations describing the fluid at a level which is consistent with time and length-scales involved in transport properties, while still including a microscopic description of the phenomena. The transport of charged ions at the pore scale has recently been included in LB. In this method, the evolution of a tracer population is

General quantitative analysis of stress partitioning and boundary conditions in undrained biphasic porous media via a purely macroscopic and purely variational approach

Science.gov (United States)

Serpieri, Roberto; Travascio, Francesco

2016-03-01

In poroelasticity, the effective stress law relates the external stress applied to the medium to the macroscopic strain of the solid phase and the interstitial pressure of the fluid saturating the mixture. Such relationship has been formerly introduced by Terzaghi in form of a principle. To date, no poroelastic theory is capable of recovering a stress partitioning law in agreement with Terzaghi's postulated one in the absence of ad hoc constitutive assumptions on the medium. We recently proposed a variational macroscopic continuum description of two-phase poroelasticity to derive a general biphasic formulation at finite deformations, termed variational macroscopic theory of porous media (VMTPM). Such approach proceeds from the inclusion of the intrinsic volumetric strain among the kinematic descriptors aside to macroscopic displacements, and as a variational theory, uses the Hamilton least-action principle as the unique primitive concept of mechanics invoked to derive momentum balance equations. In a previous related work it was shown that, for the subclass of undrained problems, VMTPM predicts that stress is partitioned in the two phases in strict compliance with Terzaghi's law, irrespective of the microstructural and constitutive features of a given medium. In the present contribution, we further develop the linearized framework of VMTPM to arrive at a general operative formula that allows the quantitative determination of stress partitioning in a jacketed test over a generic isotropic biphasic specimen. This formula is quantitative and general, in that it relates the partial phase stresses to the externally applied stress as function of partitioning coefficients that are all derived by strictly following a purely variational and purely macroscopic approach, and in the absence of any specific hypothesis on the microstructural or constitutive features of a given medium. To achieve this result, the stiffness coefficients of the theory are derived by using

General Dialdehyde Click Chemistry for Amine Bioconjugation.

Science.gov (United States)

Elahipanah, Sina; O'Brien, Paul J; Rogozhnikov, Dmitry; Yousaf, Muhammad N

2017-05-17

The development of methods for conjugating a range of molecules to primary amine functional groups has revolutionized the fields of chemistry, biology, and material science. The primary amine is a key functional group and one of the most important nucleophiles and bases used in all of synthetic chemistry. Therefore, tremendous interest in the synthesis of molecules containing primary amines and strategies to devise chemical reactions to react with primary amines has been at the core of chemical research. In particular, primary amines are a ubiquitous functional group found in biological systems as free amino acids, as key side chain lysines in proteins, and in signaling molecules and metabolites and are also present in many natural product classes. Due to its abundance, the primary amine is the most convenient functional group handle in molecules for ligation to other molecules for a broad range of applications that impact all scientific fields. Because of the primary amine's central importance in synthetic chemistry, acid-base chemistry, redox chemistry, and biology, many methods have been developed to efficiently react with primary amines, including activated carboxylic acids, isothiocyanates, Michael addition type systems, and reaction with ketones or aldehydes followed by in situ reductive amination. Herein, we introduce a new traceless, high-yield, fast click-chemistry method based on the rapid and efficient trapping of amine groups via a functionalized dialdehyde group. The click reaction occurs in mild conditions in organic solvents or aqueous media and proceeds in high yield, and the starting dialdehyde reagent and resulting dialdehyde click conjugates are stable. Moreover, no catalyst or dialdehyde-activating group is required, and the only byproduct is water. The initial dialdehyde and the resulting conjugate are both straightforward to characterize, and the reaction proceeds with high atom economy. To demonstrate the broad scope of this new click

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1976-01-01

Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

BWR Water Chemistry Guidelines: 1993 Revision, Normal and hydrogen water chemistry

International Nuclear Information System (INIS)

Karlberg, G.; Goddard, C.; Fitzpatrick, S.

1994-02-01

The goal of water chemistry control is to extend the operating life of the reactor and rector coolant system, balance-of-plant components, and turbines while simultaneously controlling costs to safeguard the continued economic viability of the nuclear power generation investment. To further this goal an industry committee of chemistry personnel prepared guidelines to identify the benefits, risks, and costs associated with water chemistry in BWRs and to provide a template for an optimized water chemistry program. This document replaces the BWR Normal Water Chemistry Guidelines - 1986 Revision and the BWR Hydrogen Water Chemistry Guidelines -- 1987 Revision. It expands on the previous guidelines documents by covering the economic implications of BWR water chemistry control

An Efficient and Straightforward Method for Radiolabeling of Nanoparticles with {sup 64}Cu via Click Chemistry

Energy Technology Data Exchange (ETDEWEB)

Lee, Dong-Eun [Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup 580-185 (Korea, Republic of); Kim, Kwangmeyung [Center for Theragnosis, Biomedical Research Institute, Korea Institute of Science and Technology (KIST), Seoul 136-791 (Korea, Republic of); Park, Sang Hyun [Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup 580-185 (Korea, Republic of); Department of Radiobiotechnology and Applied Radioisotope Science, Korea University of Science and Technology, Deajeon 305-350 (Korea, Republic of)

2015-07-01

Recently, nanoparticles have received a great deal of interest in diagnosis and therapy applications. Since nanoparticles possess intrinsic features that are often required for a drug delivery system and diagnosis, they have potential to be used as platforms for integrating imaging and therapeutic functions, simultaneously. Intrinsic issues that are associated with theranostic nanoparticles, particularly in cancer treatment, include an efficient and straightforward radiolabeling method for understanding the in vivo biodistribution of nanoparticles to reach the tumor region, and monitoring therapeutic responses. Herein, we investigated a facile and highly efficient strategy to prepare radiolabeled nanoparticles with {sup 64}Cu via a strain-promoted azide, i.e., an alkyne cycloaddition strategy, which is often referred to as click chemistry. First, the azide (N3) group, which allows for the preparation of radiolabeled nanoparticles by copper-free click chemistry, was incorporated into glycol chitosan nanoparticles (CNPs). Second, the strained cyclooctyne derivative, dibenzyl cyclooctyne (DBCO) conjugated with a 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid (DOTA) chelator, was synthesized for preparing the pre-radiolabeled alkyne complex with {sup 64}Cu radionuclide. Following incubation with the {sup 64}Cu-radiolabeled DBCO complex (DBCO-PEG4-Lys-DOTA-{sup 64}Cu with high specific activity, 18.5 GBq/μ mol), the azide-functionalized CNPs were radiolabeled successfully with {sup 64}Cu, with a high radiolabeling efficiency and a high radiolabeling yield (>98%). Importantly, the radiolabeling of CNPs by copper-free click chemistry was accomplished within 30 min, with great efficiency in aqueous conditions. After {sup 64}Cu-CNPs were intravenously administered to tumor-bearing mice, the real time, in vivo biodistribution and tumor-targeting ability of {sup 64}Cu-CNPs were quantitatively evaluated by micro-PET images of tumor-bearing mice. These results

Contextualized Chemistry Education: The American experience

Science.gov (United States)

Schwartz, A. Truman

2006-07-01

This paper is a survey of context-based chemistry education in the United States. It begins with a very brief overview of twentieth-century chemistry texts and teaching methods, followed by a short description of a pioneering secondary school text. The major emphasis is on post-secondary instruction and the central case study is provided by Chemistry in Context, a university text intended for students who are not specializing in science. The paper is more concerned with strategies for curriculum reform than with educational research, and the emphasis is more pragmatic than theoretical. A chronological sequence is used to trace the creation of Chemistry in Context. This developmental account is overlaid with the curricular representations of Goodlad and Van den Akker. The Ideal Curriculum was the goal, but the Formal Curriculum was created and revised as a consequence of iteration involving perceptions of the users, the implementation of the curriculum, the experience of students and teachers, and formal and informal assessment of what was attained. The paper also includes descriptions of other, more recent, context-based college chemistry curricula. It concludes with a list of problems and unanswered questions relating to this pedagogical approach.

Macroscopic Theory for Evolving Biological Systems Akin to Thermodynamics.

Science.gov (United States)

Kaneko, Kunihiko; Furusawa, Chikara

2018-05-20

We present a macroscopic theory to characterize the plasticity, robustness, and evolvability of biological responses and their fluctuations. First, linear approximation in intracellular reaction dynamics is used to demonstrate proportional changes in the expression of all cellular components in response to a given environmental stress, with the proportion coefficient determined by the change in growth rate as a consequence of the steady growth of cells. We further demonstrate that this relationship is supported through adaptation experiments of bacteria, perhaps too well as this proportionality is held even across cultures of different types of conditions. On the basis of simulations of cell models, we further show that this global proportionality is a consequence of evolution in which expression changes in response to environmental or genetic perturbations are constrained along a unique one-dimensional curve, which is a result of evolutionary robustness. It then follows that the expression changes induced by environmental changes are proportionally reduced across different components of a cell by evolution, which is akin to the Le Chatelier thermodynamics principle. Finally, with the aid of a fluctuation-response relationship, this proportionality is shown to hold between fluctuations caused by genetic changes and those caused by noise. Overall, these results and support from the theoretical and experimental literature suggest a formulation of cellular systems akin to thermodynamics, in which a macroscopic potential is given by the growth rate (or fitness) represented as a function of environmental and evolutionary changes.

Macroscopic networks in the human brain: mapping connectivity in healthy and damaged brains

NARCIS (Netherlands)

Nijhuis, E.H.J.

2013-01-01

The human brain contains a network of interconnected neurons. Recent advances in functional and structural in-vivo magnetic resonance neuroimaging (MRI) techniques have provided opportunities to model the networks of the human brain on a macroscopic scale. This dissertation investigates the