SciDAC Center for Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas

Energy Technology Data Exchange (ETDEWEB)

Lin, Zhihong [Univ. of California, Irvine, CA (United States)

2013-12-18

During the first year of the SciDAC gyrokinetic particle simulation (GPS) project, the GPS team (Zhihong Lin, Liu Chen, Yasutaro Nishimura, and Igor Holod) at the University of California, Irvine (UCI) studied the tokamak electron transport driven by electron temperature gradient (ETG) turbulence, and by trapped electron mode (TEM) turbulence and ion temperature gradient (ITG) turbulence with kinetic electron effects, extended our studies of ITG turbulence spreading to core-edge coupling. We have developed and optimized an elliptic solver using finite element method (FEM), which enables the implementation of advanced kinetic electron models (split-weight scheme and hybrid model) in the SciDAC GPS production code GTC. The GTC code has been ported and optimized on both scalar and vector parallel computer architectures, and is being transformed into objected-oriented style to facilitate collaborative code development. During this period, the UCI team members presented 11 invited talks at major national and international conferences, published 22 papers in peer-reviewed journals and 10 papers in conference proceedings. The UCI hosted the annual SciDAC Workshop on Plasma Turbulence sponsored by the GPS Center, 2005-2007. The workshop was attended by about fifties US and foreign researchers and financially sponsored several gradual students from MIT, Princeton University, Germany, Switzerland, and Finland. A new SciDAC postdoc, Igor Holod, has arrived at UCI to initiate global particle simulation of magnetohydrodynamics turbulence driven by energetic particle modes. The PI, Z. Lin, has been promoted to the Associate Professor with tenure at UCI.

DACS upgrade acceptance test report

International Nuclear Information System (INIS)

Zuehlke, A.C.

1994-01-01

The DACS, which is housed in a trailer located just outside of the north fence at the SY tank farm, receives input signals from a variety of sensors located in and around the SY-101 tank. These sensors provide information such as: (1) tank vapor space and ventilation system H 2 concentration; (2) tank waste temperature; (3) tank pressure; (4) waste density; (5) operating pump parameters such as speed, flow, rotational position, discharge pressure, and internal temperature; (6) strain (for major equipment); and (7) waste level. The output of these sensors is conditioned and transmitted to the DACS computers where these signals are displayed, recorded, and monitored for out-of-specification conditions. If abnormal conditions are detected, then, in certain situations, the DACS automatically generates alarms and causes the system to abort pump operations. The report documents testing performed per WHC-SD-WM-ATP-082. Rev. 0-13

DAC to Mitigate the Effect of Periodic Disturbances on Drive Train using Collective Pitch for Variable Speed Wind Turbine

DEFF Research Database (Denmark)

Imran, Raja Muhammad; Hussain, Dil Muhammad Akbar; Soltani, Mohsen

2015-01-01

scheme to mitigate the effect of 3p flicker on drive train. 5MW wind turbine of the National Renewable Laboratories (NREL) is used as research object and results are simulated in MATLAB/Simulink. We designed the controller based on linearized model of the wind turbine generated for above rated wind speed...... and then tested its performance on the nonlinear model of wind turbine. We have shown a comparison of the results for proportional-integral(PI) and proposed DAC controller tested on nonlinear model of wind turbine. Result shows that our proposed controller shows better mitigation of flicker generated due to 3p......DAC is a linear control technique used to mitigate the effect of disturbance on the plant. It is a superposition of full state feedback and disturbance feedback. This paper presents a control technique based on Disturbance Accommodation Control (DAC) to reduce fatigue on drive train generated...

Opening Comments: SciDAC 2009

Science.gov (United States)

Strayer, Michael

2009-07-01

new and novel algorithm to produce results up to 400 times faster than a similar application, and was recognized with a prize for algorithm innovation—a remarkable achievement. Day one of our conference will include examples of petascale science enabled at the OLCF. Although Jaguar has not been officially commissioned, it has gone through its acceptance tests, and during its shakedown phase there have been pioneer applications used for the acceptance tests, and they are running at scale. These include applications in the areas of astrophysics, biology, chemistry, combustion, fusion, geosciences, materials science, nuclear energy and nuclear physics. We also have a whole compendium of science we do at our facilities; these have been documented and reviewed at our last SciDAC conference. Many of these were highlighted in our Breakthroughs Report. One session at this week's conference will feature a cross-section of these breakthroughs. In the area of scalable electromagnetic simulations, the Auxiliary-space Maxwell Solver (AMS) uses specialized finite element discretizations and multigrid-based techniques, which decompose the original problem into easier-to-solve subproblems. Congratulations to the mathematicians on this. Another application on the list of breakthroughs was the authentication of PETSc, which provides scalable solvers used in many DOE applications and has solved problems with over 3 billion unknowns and scaled to over 16,000 processors on DOE leadership-class computers. This is becoming a very versatile and useful toolkit to achieve performance at scale. With the announcement of SIAM's first class of Fellows, we are remarkably well represented. Of the group of 191, more than 40 of these Fellows are in the 'DOE space.' We are so delighted that SIAM has recognized them for their many achievements. In the coming months, we will illustrate our leadership in applied math and computer science by looking at our contributions in the areas of programming models

Preface: SciDAC 2008

Science.gov (United States)

Stevens, Rick

2008-07-01

The fourth annual Scientific Discovery through Advanced Computing (SciDAC) Conference was held June 13-18, 2008, in Seattle, Washington. The SciDAC conference series is the premier communitywide venue for presentation of results from the DOE Office of Science's interdisciplinary computational science program. Started in 2001 and renewed in 2006, the DOE SciDAC program is the country's - and arguably the world's - most significant interdisciplinary research program supporting the development of advanced scientific computing methods and their application to fundamental and applied areas of science. SciDAC supports computational science across many disciplines, including astrophysics, biology, chemistry, fusion sciences, and nuclear physics. Moreover, the program actively encourages the creation of long-term partnerships among scientists focused on challenging problems and computer scientists and applied mathematicians developing the technology and tools needed to address those problems. The SciDAC program has played an increasingly important role in scientific research by allowing scientists to create more accurate models of complex processes, simulate problems once thought to be impossible, and analyze the growing amount of data generated by experiments. To help further the research community's ability to tap into the capabilities of current and future supercomputers, Under Secretary for Science, Raymond Orbach, launched the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program in 2003. The INCITE program was conceived specifically to seek out computationally intensive, large-scale research projects with the potential to significantly advance key areas in science and engineering. The program encourages proposals from universities, other research institutions, and industry. During the first two years of the INCITE program, 10 percent of the resources at NERSC were allocated to INCITE awardees. However, demand for supercomputing resources

Opening Remarks: SciDAC 2007

Science.gov (United States)

Strayer, Michael

2007-09-01

Good morning. Welcome to Boston, the home of the Red Sox, Celtics and Bruins, baked beans, tea parties, Robert Parker, and SciDAC 2007. A year ago I stood before you to share the legacy of the first SciDAC program and identify the challenges that we must address on the road to petascale computing—a road E E Cummins described as `. . . never traveled, gladly beyond any experience.' Today, I want to explore the preparations for the rapidly approaching extreme scale (X-scale) generation. These preparations are the first step propelling us along the road of burgeoning scientific discovery enabled by the application of X- scale computing. We look to petascale computing and beyond to open up a world of discovery that cuts across scientific fields and leads us to a greater understanding of not only our world, but our universe. As part of the President's America Competitiveness Initiative, the ASCR Office has been preparing a ten year vision for computing. As part of this planning the LBNL together with ORNL and ANL hosted three town hall meetings on Simulation and Modeling at the Exascale for Energy, Ecological Sustainability and Global Security (E3). The proposed E3 initiative is organized around four programmatic themes: Engaging our top scientists, engineers, computer scientists and applied mathematicians; investing in pioneering large-scale science; developing scalable analysis algorithms, and storage architectures to accelerate discovery; and accelerating the build-out and future development of the DOE open computing facilities. It is clear that we have only just started down the path to extreme scale computing. Plan to attend Thursday's session on the out-briefing and discussion of these meetings. The road to the petascale has been at best rocky. In FY07, the continuing resolution provided 12% less money for Advanced Scientific Computing than either the President, the Senate, or the House. As a consequence, many of you had to absorb a no cost extension for your

SciDAC advances and applications in computational beam dynamics

International Nuclear Information System (INIS)

Ryne, R; Abell, D; Adelmann, A; Amundson, J; Bohn, C; Cary, J; Colella, P; Dechow, D; Decyk, V; Dragt, A; Gerber, R; Habib, S; Higdon, D; Katsouleas, T; Ma, K-L; McCorquodale, P; Mihalcea, D; Mitchell, C; Mori, W; Mottershead, C T; Neri, F; Pogorelov, I; Qiang, J; Samulyak, R; Serafini, D; Shalf, J; Siegerist, C; Spentzouris, P; Stoltz, P; Terzic, B; Venturini, M; Walstrom, P

2005-01-01

SciDAC has had a major impact on computational beam dynamics and the design of particle accelerators. Particle accelerators-which account for half of the facilities in the DOE Office of Science Facilities for the Future of Science 20 Year Outlook-are crucial for US scientific, industrial, and economic competitiveness. Thanks to SciDAC, accelerator design calculations that were once thought impossible are now carried routinely, and new challenging and important calculations are within reach. SciDAC accelerator modeling codes are being used to get the most science out of existing facilities, to produce optimal designs for future facilities, and to explore advanced accelerator concepts that may hold the key to qualitatively new ways of accelerating charged particle beams. In this paper we present highlights from the SciDAC Accelerator Science and Technology (AST) project Beam Dynamics focus area in regard to algorithm development, software development, and applications

SciDAC Advances and Applications in Computational Beam Dynamics

International Nuclear Information System (INIS)

Ryne, R.; Abell, D.; Adelmann, A.; Amundson, J.; Bohn, C.; Cary, J.; Colella, P.; Dechow, D.; Decyk, V.; Dragt, A.; Gerber, R.; Habib, S.; Higdon, D.; Katsouleas, T.; Ma, K.-L.; McCorquodale, P.; Mihalcea, D.; Mitchell, C.; Mori, W.; Mottershead, C.T.; Neri, F.; Pogorelov, I.; Qiang, J.; Samulyak, R.; Serafini, D.; Shalf, J.; Siegerist, C.; Spentzouris, P.; Stoltz, P.; Terzic, B.; Venturini, M.; Walstrom, P.

2005-01-01

SciDAC has had a major impact on computational beam dynamics and the design of particle accelerators. Particle accelerators--which account for half of the facilities in the DOE Office of Science Facilities for the Future of Science 20 Year Outlook--are crucial for US scientific, industrial, and economic competitiveness. Thanks to SciDAC, accelerator design calculations that were once thought impossible are now carried routinely, and new challenging and important calculations are within reach. SciDAC accelerator modeling codes are being used to get the most science out of existing facilities, to produce optimal designs for future facilities, and to explore advanced accelerator concepts that may hold the key to qualitatively new ways of accelerating charged particle beams. In this poster we present highlights from the SciDAC Accelerator Science and Technology (AST) project Beam Dynamics focus area in regard to algorithm development, software development, and applications

Design and development of CAMAC 12 bit ADC/DAC dual purpose module

International Nuclear Information System (INIS)

Kulkarni, S.G.; Gore, J.A.; Ramlal, V.; Matkar, U.V.; Lokare, R.N.; Yadav, M.L.; Ekambaram, M.; Gupta, A.K.; Datar, V.M.

2013-01-01

A dual function CAMAC module is designed for Pelletron Accelerator which can function as 12 bit 8 channels DAC or 12 bit 16 channels ADC. Spartan 2 series of FPGA is used for implementing the CAMAC interface logic as well as logic for ADC/DAC interface. The PCB has both the ADC and DAC mounted but the module can have only one function selected due to wiring constraint. Two different VHDL programs (one for the ADC and other for the DAC) reside on the EEPROM permitting selection of any one as per the functionality required. The module is working as a 12 bit DAC at BARC-TIFR Pelletron Linac Facility, successfully. (author)

Genomes of Candidatus Wolbachia bourtzisii wDacA and Candidatus Wolbachia pipientis wDacB from the Cochineal Insect Dactylopius coccus (Hemiptera: Dactylopiidae

Directory of Open Access Journals (Sweden)

Shamayim T. Ramírez-Puebla

2016-10-01

Full Text Available Dactylopius species, known as cochineal insects, are the source of the carminic acid dye used worldwide. The presence of two Wolbachia strains in Dactylopius coccus from Mexico was revealed by PCR amplification of wsp and sequencing of 16S rRNA genes. A metagenome analysis recovered the genome sequences of Candidatus Wolbachia bourtzisii wDacA (supergroup A and Candidatus Wolbachia pipientis wDacB (supergroup B. Genome read coverage, as well as 16S rRNA clone sequencing, revealed that wDacB was more abundant than wDacA. The strains shared similar predicted metabolic capabilities that are common to Wolbachia, including riboflavin, ubiquinone, and heme biosynthesis, but lacked other vitamin and cofactor biosynthesis as well as glycolysis, the oxidative pentose phosphate pathway, and sugar uptake systems. A complete tricarboxylic acid cycle and gluconeogenesis were predicted as well as limited amino acid biosynthesis. Uptake and catabolism of proline were evidenced in Dactylopius Wolbachia strains. Both strains possessed WO-like phage regions and type I and type IV secretion systems. Several efflux systems found suggested the existence of metal toxicity within their host. Besides already described putative virulence factors like ankyrin domain proteins, VlrC homologs, and patatin-like proteins, putative novel virulence factors related to those found in intracellular pathogens like Legionella and Mycobacterium are highlighted for the first time in Wolbachia. Candidate genes identified in other Wolbachia that are likely involved in cytoplasmic incompatibility were found in wDacB but not in wDacA.

GMS/DACS interface acceptance test procedure

International Nuclear Information System (INIS)

Zuehlke, A.C.

1994-01-01

The readiness of the Data Acquisition and Control System (DACS) to provide monitoring of existing, and newly installed, instrumentation associated with the SY-101 tank Gas Monitoring Systems will be systematically evaluated by performance of this procedure. All new alarms will be verified to function at the required setpoints. The change of I/O Drop 17 to I/O Drop 13 will be checked to verify that all associated alarms and screen displays are correct. All new or changed Control Screens which provide operator interface with the Gas Monitoring Systems readouts during operations will be verified to be adequate and correct. The DACS, which is housed in a trailer located just outside of the north fence at the SY tank farm, receives input signals from a variety of sensors located in and around the SY-101 tank. These sensors provide information such as: tank vapor space and ventilation system H 2 concentration; tank waste temperature; tank pressure; waste density; operating pump parameters such as speed, flow, rotational position, discharge pressure, and internal temperature; strain (for major equipment); and waste level. The output of these sensors is conditioned and transmitted to the DACS computers where these signals are displayed, recorded, and monitored for out-of-specification conditions. If abnormal conditions are detected, then, in certain situations, the DACS automatically generates alarms and causes the system to abort pump operations. The portions of the system to be tested include: new RGA5 gas monitor; existing gas chromatographs; FTIR; B ampersand K (Photo) NH 3 equipment; any new or changed Genesis screens; and I/O Drop 13

Low Power Continuous-Time Delta-Sigma ADC with Current Output DAC

DEFF Research Database (Denmark)

Marker-Villumsen, Niels; Jørgensen, Ivan Harald Holger; Bruun, Erik

2015-01-01

The paper presents a continuous-time (CT) DeltaSigma (∆Σ) analog-to-digital converter (ADC) using a current output digital-to-analog converter (DAC) for the feedback. From circuit analysis it is shown that using a current output DAC makes it possible to relax the noise requirements of the 1st...... integrator of the loopfilter, and thereby reduce the current consumption. Furthermore, the noise of the current output DAC being dependent on the ADC input signal level, enabling a dynamic range that is larger than the peak signal-to-noise ratio (SNR). The current output DAC is used in a 3rd order multibit...... CT ∆Σ ADC for audio applications, designed in a 0.18 µm CMOS process, with active-RC integrators, a 7-level Flash ADC quantizer and current output DAC for the feedback. From simulations the ADC achieves a dynamic range of 95.0 dB in the audio band, with a current consumption of 284 µA for a 1.7 V...

Disciplinary Action Committee (DAC)

Science.gov (United States)

Notar, Charles; Riley, Gena; Thornburg, Roland; Owens, Lynetta; Harper, Cynthia

2009-01-01

The College of Education and Professional Studies (CEPS) provides an environment in which all students can learn. The term "students" encompasses anyone enrolled in a course provided by the College. The DAC was formed to protect the health, safety, and general welfare of students, educators, and those who participate in conjunction with…

10-bit segmented current steering DAC in 90nm CMOS technology

International Nuclear Information System (INIS)

Bringas, R Jr; Dy, F; Gerasta, O J

2015-01-01

This special project presents a 10-Bit 1Gs/s 1.2V/3.3V Digital-to-Analog Converter using1 Poly 9 Metal SAED 90-nm CMOS Technology intended for mixed-signal and power IC applications. To achieve maximum performance with minimum area, the DAC has been implemented in 6+4 Segmentation. The simulation results show a static performance of ±0.56 LSB INL and ±0.79 LSB DNL with a total layout chip area of 0.683 mm 2 .The segmented architecture is implemented using two sub DAC's, which are the LSB and MSB section with certain number bits. The DAC is designed using 4-BitBinary Weighted DAC for the LSB section and 6-BitThermometer-coded DAC for the MSB section. The thermometer-coded architecture provides the most optimized results in terms of linearity through reducing the clock feed-through effect especially in hot switching between multiple transistors. The binary- weighted architecture gives better linearity output in higher frequencies with better saturation in current sources. (paper)

Results of the PERI survey of SciDAC applications

International Nuclear Information System (INIS)

Supinski, Bronis R de; Hollingworth, Jeffrey K; Moore, Shirley; Worley, Patrick H

2007-01-01

The Performance Engineering Research Institute (PERI) project focuses on achieving superior performance for Scientific Discovery through Advanced Computing (SciDAC) applications on leadership class machines through cutting-edge research in performance modeling and automated performance tuning. This focus requires coordinated activities to engage SciDAC application teams. The initial application engagement activity was a survey of these teams to determine their performance goals, the criticality of those goals, current performance of their applications, application characteristics relevant to performance and their plans for future optimization. Using a web-based questionnaire, PERI researchers have worked with application developers to provide this information for over twenty-five applications. This paper describes the initial analysis of the application characteristics and performance goals, as well as current and future application engagement activities driven by these results. While the survey was conducted primarily to meet PERI needs, the results represent a snapshot of the state of SciDAC code development and may be of use to the DOE community at large. Overall, the results show that SciDAC application teams are engaged in significant new code development, which will require flexible performance optimization techniques that can improve performance as the applications evolve

Modelling of a 400 kW natural gas diffusion flame using finite-rate chemistry schemes

International Nuclear Information System (INIS)

Mueller, Christian; Kremer, Hans; Brink, Anders; Kilpinen, Pia; Hupa, Mikko

1999-01-01

The Eddy-Dissipation Combustion Model combined with three different reaction mechanisms is applied to simulate a fuel-rich 400 kW natural gas diffusion flame. The chemical schemes include a global 2-step and a global 4-step approach as well as a reduced 4-step mechanism systematically derived from an elementary scheme. The species and temperature distributions resulting from the different schemes are studied in detail and compared to each other and to experiments. Furthermore the method of implementing finite-rate chemistry to the Eddy-Dissipation Combustion Model is discussed. (author)

Digital Offset Calibration of an OPAMP Towards Improving Static Parameters of 90 nm CMOS DAC

Directory of Open Access Journals (Sweden)

D. Arbet

2014-09-01

Full Text Available In this paper, an on-chip self-calibrated 8-bit R-2R digital-to-analog converter (DAC based on digitally compensated input offset of the operational amplifier (OPAMP is presented. To improve the overall DAC performance, a digital offset cancellation method was used to compensate deviations in the input offset voltage of the OPAMP caused by process variations. The whole DAC as well as offset compensation circuitry were designed in a standard 90 nm CMOS process. The achieved results show that after the self-calibration process, the improvement of 48% in the value of DAC offset error is achieved.

Characterization of dacC, which encodes a new low-molecular-weight penicillin-binding protein in Bacillus subtilis

DEFF Research Database (Denmark)

Pedersen, Lotte Bang; Murray, T; Popham, D L

1998-01-01

The pbp gene (renamed dacC), identified by the Bacillus subtilis genome sequencing project, encodes a putative 491-residue protein with sequence homology to low-molecular-weight penicillin-binding proteins. Use of a transcriptional dacC-lacZ fusion revealed that dacC expression (i) is initiated...... at the end of stationary phase; (ii) depends strongly on transcription factor sigmaH; and (iii) appears to be initiated from a promoter located immediately upstream of yoxA, a gene of unknown function located upstream of dacC on the B. subtilis chromosome. A B. subtilis dacC insertional mutant grew...

The terminator "toy" chemistry test: a simple tool to assess errors in transport schemes

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P. H. Lauritzen

2015-05-01

Full Text Available This test extends the evaluation of transport schemes from prescribed advection of inert scalars to reactive species. The test consists of transporting two interacting chemical species in the Nair and Lauritzen 2-D idealized flow field. The sources and sinks for these two species are given by a simple, but non-linear, "toy" chemistry that represents combination (X + X → X2 and dissociation (X2 → X + X. This chemistry mimics photolysis-driven conditions near the solar terminator, where strong gradients in the spatial distribution of the species develop near its edge. Despite the large spatial variations in each species, the weighted sum XT = X + 2X2 should always be preserved at spatial scales at which molecular diffusion is excluded. The terminator test demonstrates how well the advection–transport scheme preserves linear correlations. Chemistry–transport (physics–dynamics coupling can also be studied with this test. Examples of the consequences of this test are shown for illustration.

Assessment of the reduction methods used to develop chemical schemes: building of a new chemical scheme for VOC oxidation suited to three-dimensional multiscale HOx-NOx-VOC chemistry simulations

Directory of Open Access Journals (Sweden)

S. Szopa

2005-01-01

Full Text Available The objective of this work was to develop and assess an automatic procedure to generate reduced chemical schemes for the atmospheric photooxidation of volatile organic carbon (VOC compounds. The procedure is based on (i the development of a tool for writing the fully explicit schemes for VOC oxidation (see companion paper Aumont et al., 2005, (ii the application of several commonly used reduction methods to the fully explicit scheme, and (iii the assessment of resulting errors based on direct comparison between the reduced and full schemes. The reference scheme included seventy emitted VOCs chosen to be representative of both anthropogenic and biogenic emissions, and their atmospheric degradation chemistry required more than two million reactions among 350000 species. Three methods were applied to reduce the size of the reference chemical scheme: (i use of operators, based on the redundancy of the reaction sequences involved in the VOC oxidation, (ii grouping of primary species having similar reactivities into surrogate species and (iii grouping of some secondary products into surrogate species. The number of species in the final reduced scheme is 147, this being small enough for practical inclusion in current three-dimensional models. Comparisons between the fully explicit and reduced schemes, carried out with a box model for several typical tropospheric conditions, showed that the reduced chemical scheme accurately predicts ozone concentrations and some other aspects of oxidant chemistry for both polluted and clean tropospheric conditions.

45 CFR 1705.3 - Procedures for requests pertaining to individual records in the D/AC File.

Science.gov (United States)

2010-10-01

... records in the D/AC File. 1705.3 Section 1705.3 Public Welfare Regulations Relating to Public Welfare... for requests pertaining to individual records in the D/AC File. (a) An individual who wishes to know whether the D/AC File contains a record pertaining to him or her shall submit a written request to that...

A rigorous analysis of digital pre-emphasis and DAC resolution for interleaved DAC Nyquist-WDM signal generation in high-speed coherent optical transmission systems

Science.gov (United States)

Weng, Yi; Wang, Junyi; He, Xuan; Pan, Zhongqi

2018-02-01

The Nyquist spectral shaping techniques facilitate a promising solution to enhance spectral efficiency (SE) and further reduce the cost-per-bit in high-speed wavelength-division multiplexing (WDM) transmission systems. Hypothetically, any Nyquist WDM signals with arbitrary shapes can be generated by the use of the digital signal processing (DSP) based electrical filters (E-filter). Nonetheless, in actual 100G/ 200G coherent systems, the performance as well as DSP complexity are increasingly restricted by cost and power consumption. Henceforward it is indispensable to optimize DSP to accomplish the preferred performance at the least complexity. In this paper, we systematically investigated the minimum requirements and challenges of Nyquist WDM signal generation, particularly for higher-order modulation formats, including 16 quadrature amplitude modulation (QAM) or 64QAM. A variety of interrelated parameters, such as channel spacing and roll-off factor, have been evaluated to optimize the requirements of the digital-to-analog converter (DAC) resolution and transmitter E-filter bandwidth. The impact of spectral pre-emphasis has been predominantly enhanced via the proposed interleaved DAC architecture by at least 4%, and hence reducing the required optical signal to noise ratio (OSNR) at a bit error rate (BER) of 10-3 by over 0.45 dB at a channel spacing of 1.05 symbol rate and an optimized roll-off factor of 0.1. Furthermore, the requirements of sampling rate for different types of super-Gaussian E-filters are discussed for 64QAM Nyquist WDM transmission systems. Finally, the impact of the non-50% duty cycle error between sub-DACs upon the quality of the generated signals for the interleaved DAC structure has been analyzed.

Three-dimensional anisotropy contrast (3DAC) magnetic resonance imaging of the human brain. Application to assess Wallerian degeneration

Energy Technology Data Exchange (ETDEWEB)

Igarashi, Hironaka; Katayama, Yasuo; Tsuganezawa, Toshikazu; Yamamuro, Manabu; Terashi, Akiro; Owan, Chojin [Nippon Medical School, Tokyo (Japan)

1998-08-01

Three-dimensional anisotropy contrast (3DAC) magnetic resonance imaging is a new algorithm for the treatment of apparent diffusion tensor using the three primary colors. To determine if 3DAC has a clinical application for human brain, six normal volunteers and twenty patients with supratentorial cerebrovascular accidents were examined using clinical magnetic resonance imaging (MRI), and the changes in the 3DAC images associated with Wallerian degeneration of the pyramidal tract were evaluated. The 3DAC images exhibited impressive anatomical resolution. In all chronic stage patients with hemiparesis, the colors in the pyramidal tract were faded. Patients examined during the acute stage who later recovered from hemiparesis had no visible changes of the 3DAC image, whereas patients who recovered poorly showed distinct color fading in the pyramidal tract within 14 days following stroke. In conclusion, very fine anatomical structures are visible on 3DAC images, and it can be used as a diagnostic tool for the human brain. (author)

Three-dimensional anisotropy contrast (3DAC) magnetic resonance imaging of the human brain. Application to assess Wallerian degeneration

International Nuclear Information System (INIS)

Igarashi, Hironaka; Katayama, Yasuo; Tsuganezawa, Toshikazu; Yamamuro, Manabu; Terashi, Akiro; Owan, Chojin

1998-01-01

Three-dimensional anisotropy contrast (3DAC) magnetic resonance imaging is a new algorithm for the treatment of apparent diffusion tensor using the three primary colors. To determine if 3DAC has a clinical application for human brain, six normal volunteers and twenty patients with supratentorial cerebrovascular accidents were examined using clinical magnetic resonance imaging (MRI), and the changes in the 3DAC images associated with Wallerian degeneration of the pyramidal tract were evaluated. The 3DAC images exhibited impressive anatomical resolution. In all chronic stage patients with hemiparesis, the colors in the pyramidal tract were faded. Patients examined during the acute stage who later recovered from hemiparesis had no visible changes of the 3DAC image, whereas patients who recovered poorly showed distinct color fading in the pyramidal tract within 14 days following stroke. In conclusion, very fine anatomical structures are visible on 3DAC images, and it can be used as a diagnostic tool for the human brain. (author)

The impact of SciDAC on US climate change research and the IPCC AR4

International Nuclear Information System (INIS)

Wehner, Michael

2005-01-01

SciDAC has invested heavily in climate change research. We offer a candid opinion as to the impact of the DOE laboratories' SciDAC projects on the upcoming Fourth Assessment Report of the Intergovernmental Panel on Climate Change

An audio FIR-DAC in a BCD process for high power Class-D amplifiers

NARCIS (Netherlands)

Doorn, T.S.; van Tuijl, Adrianus Johannes Maria; Schinkel, Daniel; Annema, Anne J.; Berkhout, M.; Berkhout, M.; Nauta, Bram

A 322 coefficient semi-digital FIR-DAC using a 1-bit PWM input signal was designed and implemented in a high voltage, audio power bipolar CMOS DMOS (BCD) process. This facilitates digital input signals for an analog class-D amplifier in BCD. The FIR-DAC performance depends on the ISI-resistant

Leading Strategies of the “DAC People” Program in Budjak

Directory of Open Access Journals (Sweden)

Tetyana Shevchuk

2016-05-01

Full Text Available The article deals with the prospects of the international activities of Izmail State University for Humanities as a Danube academic consortium partner. The project of DAC pilot implementation of the programs “Innovation is Hope” and “Sky is the Limit” within the framework of “DAC People” in Budjak is presented in the article. Its key components include the following information: data about the prominent creative community in Budjak; the project of Budjak Art Center of Craft Excellence of Euroregional importance (BACCE as its integral unit; the challenges of the project and its geography; the people, involved in the implementation.

Functional Evaluation of the Cloud Type Virtual Policy Based Network Management Scheme for the Common Use between Plural Organizations

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Kazuya Odagiri

2017-03-01

Full Text Available In the current Internet system, there are many problems using anonymity of the network communication such as personal information leaks and crimes using the Internet system. This is why TCP/IP protocol used in Internet system does not have the user identification information on the communication data, and it is difficult to supervise the user performing the above acts immediately. As a study for solving the above problem, there is the study of Policy Based Network Management (PBNM. This is the scheme for managing a whole Local Area Network (LAN through communication control for every user. In this PBNM, two types of schemes exist. The first is the scheme for managing the whole LAN by locating the communication control mechanisms on the path between network servers and clients. The second is the scheme of managing the whole LAN by locating the communication control mechanisms on clients. As the second scheme, we have studied theoretically about the Destination Addressing Control System (DACS Scheme. By applying this DACS Scheme to Internet system management, we will realize the policy-based Internet system management. In this paper, as the progression phase of the third phase for the last goal, we perform the functional evaluation of the cloud type virtual PBNM, which can be used by plural organizations.

Hypomethylating agent 5-aza-2'-deoxycytidine (DAC) ameliorates multiple sclerosis in mouse models

DEFF Research Database (Denmark)

Mangano, Katia; Fagone, Paolo; Bendtzen, Klaus

2014-01-01

murine models of experimental allergic encephalomyelitis (EAE). DAC treatment was associated with a significant amelioration of the clinical and histological hallmarks of EAE in both models. These effects were observed both in prophylactic and therapeutic regimens. The milder course of the disease....... Finally, DAC treatment increased the percentage of circulating regulatory T cells by inducing Foxp3 expression via demethylation of a CpG island in Foxp3....

ALI and DAC for transuranic elements based on the metabolic data presented in ICRP Publication 48

International Nuclear Information System (INIS)

Togawa, Orihiko; Yamaguchi, Yukichi; Homma, Toshimitsu

1987-07-01

The recently published ICRP report, ICRP Publication 48, presents the new metabolic data of some transuranic elements, compared with those employed in the calculation of ALI and DAC in ICRP Publication 30. Values of ALI and DAC for 72 radionuclides were calculated using the metabolic data presented in the Publication 48. The calculation was performed by a computer code system DOSDAC, which can systematically calculate ALI and DAC by the same method as that described in the Publication 30. The calculated values of ALI and DAC were tabulated in the same format as that of the supplements to the Publication 30. For the convenience of using in the dose assessment, also given are values of committed effective dose equivalent per intake of unit activity. It is expected that these values will be applied to the radiation protection purposes. (author)

5-Azacytosine compounds in medicinal chemistry: current stage and future perspectives

Czech Academy of Sciences Publication Activity Database

Krečmerová, Marcela; Otmar, Miroslav

2012-01-01

Roč. 4, č. 8 (2012), s. 991-1005 ISSN 1756-8919 R&D Projects: GA MPO FR-TI4/625 Institutional support: RVO:61388963 Keywords : 5-azacytidine * 2´-deoxy-5-azacytidine * hypomethylation * DAC * epigenetics * DNA methylation * acyclic nucleoside phosphonates * 5-azacytosine * HPMP-5-azacytosine * prodrugs Subject RIV: CC - Organic Chemistry Impact factor: 3.310, year: 2012

Design of integrated all optical digital to analog converter (DAC) using 2D photonic crystals

Science.gov (United States)

Moniem, Tamer A.; El-Din, Eman S.

2017-11-01

A novel design of all optical 3 bit digital to analog (DAC) converter will be presented in this paper based on 2 Dimension photonic crystals (PhC). The proposed structure is based on the photonic crystal ring resonators (PCRR) with combining the nonlinear Kerr effect on the PCRR. The total size of the proposed optical 3 bit DAC is equal to 44 μm × 37 μm of 2D square lattice photonic crystals of silicon rods with refractive index equal to 3.4. The finite different time domain (FDTD) and Plane Wave Expansion (PWE) methods are used to back the overall operation of the proposed optical DAC.

Work plan for transition of SY-101 hydrogen mitigation test project data acquisition and control system (DACS-1)

International Nuclear Information System (INIS)

McClees, J.; Truitt, R.W.

1994-01-01

The purpose of this effort is to transfer operating and maintenance responsibility for the 241-SY-101 data acquisition and control system (DACS-1) from Los Alamos National Laboratory to Westinghouse Hanford Company. This work plan defines the tasks required for a successful turnover. It identifies DACS-1 transition, deliverables, responsible organizations and individuals, interfaces, cost, and schedule. The transition plan will discuss all required hardware, software, documentation, maintenance, operations, and training for use at Hanford Waste Tank 241-SY-101. The transfer of responsibilities for DACS-1 to WHC is contingent on final approval of applicable Acceptance for Beneficial Use documentation by Waste Tank Operations. The DACS-1 was designed to provide data monitoring, display, and storage for Tank 241-SY-101. The DACS-1 also provides alarm and control of all the hydrogen mitigation testing systems, as well as ancillary systems and equipment (HVAC, UPS, etc.) required to achieve safe and reliable operation of the testing systems in the tank

Studies in useful hard x-ray induced chemistry

Science.gov (United States)

Pravica, Michael; Bai, Ligang; Sneed, Daniel; Park, Changyong

2013-06-01

The observed rapid decomposition of potassium chlorate (via 2KClO3 + h ν --> 2KCl +3O2) via synchrotron hard x-ray irradiation (>10 keV) has enabled experiments that are developing novel and useful hard x-ray chemistry. We have observed a number of radiation-induced in situ decomposition reactions in various substances which release O2, H2, N2, NH3, and H2O in a diamond anvil cell (DAC) at ambient and high pressures. These novel acatalytic and isothermal reactions represent a highly controllable, penetrating, and focused method to initiate chemistry (including x-ray induced combustion) in sealed and/or isolated chambers which maintain matter under extreme conditions. During our studies, we have typically observed a slowing of decomposition with pressure including phase dependent decomposition of KClO3. Energy dependent studies have observed an apparent resonance near 15 keV at which the decomposition rate is maximized. This may enable use of much lower flux and portable x-ray sources (e.g. x-ray tubes) in larger scale experiments. These developments support novel means to load DACs and control chemical reactions providing novel routes of synthesis of novel materials under extreme conditions.

A high performance DAC/DDS daughter module for the RHIC LLRF platform

International Nuclear Information System (INIS)

Hayes, T.; Harvey, M.; Narayan, G.; Severino, F.; Smith, K.S.; Yuan, S.

2011-01-01

The RHIC LLRF upgrade is a flexible, modular system. Output signals are generated by a custom designed XMC card with 4 high speed digital to analog (DAC) converters interfaced to a high performance field programmable gate array (FPGA). This paper discusses the hardware details of the XMC DAC board as well as the implementation of a low noise rf synthesizer with digital IQ modulation. This synthesizer also provides injection phase cogging and frequency hop rebucketing capabilities. A new modular RHIC LLRF system was recently designed and commissioned based on custom designed XMC cards. As part of that effort a high speed, four channel DAC board was designed. The board uses Maxim MAX5891 16 bit DACs with a maximum update rate of 600 Msps. Since this module is intended to be used for many different systems throughout the Collider Accelerator complex, it was designed to be as generic as possible. One major application of this DAC card is to implement digital synthesizers to provide drive signals to the various cavities at RHIC. Since RHIC is a storage ring with stores that typically last many hours, extremely low RF noise is a critical requirement. Synchrotron frequencies at RHIC range from a few hertz to several hundred hertz depending on the species and point in the acceleration cycle so close in phase noise is a major concern. The RHIC LLRF system uses the Update Link, a deterministic, high speed data link that broadcasts the revolution frequency and the synchronous phase angle. The digital synthesizers use this data to generate a properly phased analog drive signal. The synthesizers must also provide smooth phase shifts for cogging and support frequency shift rebucketing. One additional feature implemented in the FPGA is a digital waveform generator (WFG) that generates I and Q data pairs based on a user selected amplitude and phase profile as a function of time.

Systematic analysis of the impact of mixing locality on Mixing-DAC linearity for multicarrier GSM

NARCIS (Netherlands)

Bechthum, E.; Radulov, G.I.; Briaire, J.; Geelen, G.; Roermund, van A.H.M.

2012-01-01

In an RF transmitter, the function of the mixer and the DAC can be combined in a single block: the Mixing-DAC. For the generation of multicarrier GSM signals in a basestation, high dynamic linearity is required, i.e. SFDR>85dBc, at high output signal frequency, i.e. ƒout ˜ 4GHz. This represents a

Thermocouple module halt failure acceptance test procedure for Tank 241-SY-101 DACS-1

International Nuclear Information System (INIS)

Ermi, A.M.

1997-01-01

The readiness of the Tank 241-SY-101 Data Acquisition and Control System (DACS-1) to provide monitoring and alarms for a halt failure of any thermocouple module will be tested during the performance of this procedure. Updated DACS-1 ''1/0 MODULE HEALTH STATUS'', ''MININ1'', and ''MININ2'' screens, which now provide indication of thermocouple module failure, will also be tested as part of this procedure

Computer system requirements specification for 101-SY hydrogen mitigation test project data acquisition and control system (DACS-1)

International Nuclear Information System (INIS)

McNeece, S.G.; Truitt, R.W.

1994-01-01

The system requirements specification for SY-101 hydrogen mitigation test project (HMTP) data acquisition and control system (DACS-1) documents the system requirements for the DACS-1 project. The purpose of the DACS is to provide data acquisition and control capabilities for the hydrogen mitigation testing of Tank SY-101. Mitigation testing uses a pump immersed in the waste, directed at varying angles and operated at different speeds and time durations. Tank and supporting instrumentation is brought into the DACS to monitor the status of the tank and to provide information on the effectiveness of the mitigation test. Instrumentation is also provided for closed loop control of the pump operation. DACS is also capable for being expanded to control and monitor other mitigation testing. The intended audience for the computer system requirements specification includes the SY-101 hydrogen mitigation test data acquisition and control system designers: analysts, programmers, instrument engineers, operators, maintainers. It is intended for the data users: tank farm operations, mitigation test engineers, the Test Review Group (TRG), data management support staff, data analysis, Hanford data stewards, and external reviewers

Application of 3DAC (3D anisotropy contrast) imaging to predict motor function outcome of patients with cerebral infarction

International Nuclear Information System (INIS)

Igase, Keiji; Matsubara, Ichiro; Arai, Masamori; Goishi, Jyunji; Sadamoto, Kazuhiko

2009-01-01

ThreeDAC (3D anisotropy contrast) image can depict neuronal fibers in 3 dimensions and the way those anatomical structures exist. However, despite its sophistication, quantitative analysis of 3DAC image has been performed poorly, probably, due to difficulties collecting numerical factors, thus we have tried to evaluate a feasible quantitative 3DAC image technique to predict motor function outcome in patients with cerebral infarction. Twenty-five patients with a acute cerebral infarctions, who underwent 3DAC procedure with 3 tesla MRI within 1 week after the onset, were enrolled in this study. To assess motor function, we applied manual muscle testing (MMT) score, which was modified by designating from 1 to 13 points corresponding to MMT, during both the onset and 3 months later. 3DAC image was created through the procedure assigning each direction to red, green and blue (RGB) colors after obtaining rare 3DAC images. On the slice showing the maximally injured region, Injured Fiber Ratio (IFR), defined as the ratio of injured area on horizontal fibers shown as blue area to the area of whole horizontal fibers in a healthy side, was calculated and compared with MMT score. Although MMT score at the onset did not correlate significantly with IFR, each MMT score of the arm and leg 3 months later revealed a significant correlation with IFR(R 2 =0.47 and R 2 =0.67, respectively). Given these results, by exploiting the IFR obtained from 3DAC image a motor function outcome in patients with cerebral infarction might be predicted even in a very acute stage and 3DAC image could be a feasible modality for analyzing a neuronal injury in cerebral infarction patients. (author)

A low-cost DAC BIST structure using a resistor loop.

Directory of Open Access Journals (Sweden)

Jaewon Jang

Full Text Available This paper proposes a new DAC BIST (digital-to-analog converter built-in self-test structure using a resistor loop known as a DDEM ADC (deterministic dynamic element matching analog-to-digital converter. Methods for both switch reduction and switch effect reduction are proposed for solving problems related to area overhead and accuracy of the conventional DAC BIST. The proposed BIST modifies the length of each resistor in the resistor loop via a merging operation and reduces the number of switches and resistors. In addition, the effect of switches is mitigated using the proposed switch effect reduction method. The accuracy of the proposed BIST is demonstrated by the reduction in the switch effect. The experimental results show that the proposed BIST reduces resource usages and the mismatch error caused by the switches.

A low-cost DAC BIST structure using a resistor loop.

Science.gov (United States)

Jang, Jaewon; Kim, Heetae; Kang, Sungho

2017-01-01

This paper proposes a new DAC BIST (digital-to-analog converter built-in self-test) structure using a resistor loop known as a DDEM ADC (deterministic dynamic element matching analog-to-digital converter). Methods for both switch reduction and switch effect reduction are proposed for solving problems related to area overhead and accuracy of the conventional DAC BIST. The proposed BIST modifies the length of each resistor in the resistor loop via a merging operation and reduces the number of switches and resistors. In addition, the effect of switches is mitigated using the proposed switch effect reduction method. The accuracy of the proposed BIST is demonstrated by the reduction in the switch effect. The experimental results show that the proposed BIST reduces resource usages and the mismatch error caused by the switches.

A VME based cryogenic data acquisition and control system (CRYO-DACS)

International Nuclear Information System (INIS)

Antony, Joby; Rajkumar; Datta, T.S.

2005-01-01

This report describes a newly developed VME based data acquisition and control system named CRYO-DACS for acquiring and controlling various analog and digital cryogenic parameters from equipment's like beam-line cryostats, Helium compressors, liquefier, cryogenic distribution line etc. A new central control room has been set-up for the remote controls and monitoring. The system monitors various analog parameters like temperature, pressure, vacuum and cryogenic fluid levels inside the cryostats and performs closed loop controls of cryogen valves. The hardware architecture of CRYO-DACS is multi-crate distributed VME, all linked by workstation clients in 100 Mb/s LAN for distributed logging, historical trending, analysis, alarm management and control GUIs. (author)

Variational data assimilation schemes for transport and transformation models of atmospheric chemistry

Science.gov (United States)

Penenko, Alexey; Penenko, Vladimir; Tsvetova, Elena; Antokhin, Pavel

2016-04-01

The work is devoted to data assimilation algorithm for atmospheric chemistry transport and transformation models. In the work a control function is introduced into the model source term (emission rate) to provide flexibility to adjust to data. This function is evaluated as the constrained minimum of the target functional combining a control function norm with a norm of the misfit between measured data and its model-simulated analog. Transport and transformation processes model is acting as a constraint. The constrained minimization problem is solved with Euler-Lagrange variational principle [1] which allows reducing it to a system of direct, adjoint and control function estimate relations. This provides a physically-plausible structure of the resulting analysis without model error covariance matrices that are sought within conventional approaches to data assimilation. High dimensionality of the atmospheric chemistry models and a real-time mode of operation demand for computational efficiency of the data assimilation algorithms. Computational issues with complicated models can be solved by using a splitting technique. Within this approach a complex model is split to a set of relatively independent simpler models equipped with a coupling procedure. In a fine-grained approach data assimilation is carried out quasi-independently on the separate splitting stages with shared measurement data [2]. In integrated schemes data assimilation is carried out with respect to the split model as a whole. We compare the two approaches both theoretically and numerically. Data assimilation on the transport stage is carried out with a direct algorithm without iterations. Different algorithms to assimilate data on nonlinear transformation stage are compared. In the work we compare data assimilation results for both artificial and real measurement data. With these data we study the impact of transformation processes and data assimilation to the performance of the modeling system [3]. The

Membrane topology and identification of key residues of EaDAcT, a plant MBOAT with unusual substrate specificity.

Science.gov (United States)

Tran, Tam N T; Shelton, Jennifer; Brown, Susan; Durrett, Timothy P

2017-10-01

Euonymus alatus diacylglycerol acetyltransferase (EaDAcT) catalyzes the transfer of an acetyl group from acetyl-CoA to the sn-3 position of diacylglycerol to form 3-acetyl-1,2-diacyl-sn-glycerol (acetyl-TAG). EaDAcT belongs to a small, plant-specific subfamily of the membrane bound O-acyltransferases (MBOAT) that acylate different lipid substrates. Sucrose gradient density centrifugation revealed that EaDAcT colocalizes to the same fractions as an endoplasmic reticulum (ER)-specific marker. By mapping the membrane topology of EaDAcT, we obtained an experimentally determined topology model for a plant MBOAT. The EaDAcT model contains four transmembrane domains (TMDs), with both the N- and C-termini orientated toward the lumen of the ER. In addition, there is a large cytoplasmic loop between the first and second TMDs, with the MBOAT signature region of the protein embedded in the third TMD close to the interface between the membrane and the cytoplasm. During topology mapping, we discovered two cysteine residues (C187 and C293) located on opposite sides of the membrane that are important for enzyme activity. In order to identify additional amino acid residues important for acetyltransferase activity, we isolated and characterized acetyltransferases from other acetyl-TAG-producing plants. Among them, the acetyltransferase from Euonymus fortunei possessed the highest activity in vivo and in vitro. Mutagenesis of conserved amino acids revealed that S253, H257, D258 and V263 are essential for EaDAcT activity. Alteration of residues unique to the acetyltransferases did not alter the unique acyl donor specificity of EaDAcT, suggesting that multiple amino acids are important for substrate recognition. © 2017 The Authors The Plant Journal © 2017 John Wiley & Sons Ltd.

Integration of 128 channels for monitoring, acquisition and control with existing LHCD DAC system

International Nuclear Information System (INIS)

Joshi, Ramesh; Virani, Chetan; Wadhwani, Archana; Sharma, P.K.

2015-01-01

Lower Hybrid Current Drive (LHCD) data acquisition system needs to be upgraded for additional channel requirement. The existing VME based DAC has been used since long with 32 analog input channels for data monitoring and control. Additional 128 channels require integrating with existing DAC. There are four layers of waveguides which deliver final output power into tokamak. Each layer requires 32 channels for power measurement. For the same requirement 128 analog input channels have been integrated with the help of carrier board and IP modules. Acromag IP330 modules have been procured and finally integrated with additional carrier board with existing VME hardware. Each module provides 32 analog input channels. Device driver has been developed for each module and integrated with existing program. LHCD DAC system has been upgraded with additional 128 channels requirement. It has been successfully testing with recent SST-1 campaign. (author)

Studying DAC capacitor-array degradation in charge-redistribution SAR ADCs

NARCIS (Netherlands)

Khan, M.A.; Kerkhoff, Hans G.

2014-01-01

In this paper, system-level behavioural models are used to simulate the aging-related degradation effects in the DAC capacitor array of a charge-redistribution successive approximation register (SAR) ADC because of the large calculation time of transistor-level aging simulators. A

Racial/Ethnic Minorities Ineligible for Direct Access Colonoscopy (DAC): Identifying Patients Who Fall Through the Cracks.

Science.gov (United States)

Miller, Sarah J; Sly, Jamilia R; Itzkowitz, Steven H; Jandorf, Lina

2015-03-01

Patients ineligible for direct access colonoscopy (DAC) are typically referred for a pre-colonoscopy consultation with gastroenterology (GI). However, the referral from primary care to GI creates the potential for patients to drop out of treatment. The primary objective of the current study was to examine the proportion of participants deemed ineligible for DAC that (1) attended an appointment with GI and (2) completed a screening colonoscopy. The second aim of the study was to examine predictors of screening colonoscopy adherence. Participants (N = 144) were average-risk patients who received a primary care referral for a screening colonoscopy and were deemed ineligible for DAC between 2008 and 2012. Following the primary care visit, participants completed a questionnaire that assessed demographics and psychological factors. Medical chart review determined whether participants completed the screening colonoscopy via the GI referral. Of the 144 participants, only 19 (13 %) completed the screening colonoscopy via the GI referral. Multiple regression analyses revealed that decisional balance was the only unique predictor of screening colonoscopy adherence. Patients deemed ineligible for DAC are highly unlikely to complete a screening colonoscopy. Interventions are needed to increase screening colonoscopy adherence in this vulnerable population.

Work plan for SY Farm Integrated Data Acquisition and Control System (DACS-2a)

International Nuclear Information System (INIS)

Conner, R.P.; Katz, R.S.

1994-01-01

The SY Farm currently has a temporary Data Acquisition ampersand Control System (DACS) housed in a mobile trailer. The system is currently referred to as DACS-1. It was designed and configured to support engineers and scientists conducting the special performance evaluation and testing program for the safety mitigation test equipment located in waste tank 241-SY-101 (101-SY). It is currently being maintained and utilized by engineering personnel to monitor and control the 101-SY mitigation pump activities. Based upon the results of the mitigation testing program, some of the temporary test mitigation equipment (such as mixing pump) will be replaced with longer-term ''operational'' mitigation equipment. This is resulting in new requirements for the Data Acquisition and Control System which will be full-filled by a newer control facility referred to as the DACS-2. A teaming between Westinghouse Hanford Company (WHC) and Los Alamos National Laboratory (LANL) has been established for the SY farm mitigation program in order to develop and implement the ''next generation'' of the data acquisition and control system for the mitigation pump operations. The new system will be configured for use by the tank farm operational personnel. It will support the routine operations necessary for safety mitigation and the future waste retrieval of Project W-211. It is intended to replace the existing DACS-1 and provide the necessary control room space for future integration of W-211

Final Report for DOE Project: Portal Web Services: Support of DOE SciDAC Collaboratories

Energy Technology Data Exchange (ETDEWEB)

Mary Thomas, PI; Geoffrey Fox, Co-PI; Gannon, D; Pierce, M; Moore, R; Schissel, D; Boisseau, J

2007-10-01

Grid portals provide the scientific community with familiar and simplified interfaces to the Grid and Grid services, and it is important to deploy grid portals onto the SciDAC grids and collaboratories. The goal of this project is the research, development and deployment of interoperable portal and web services that can be used on SciDAC National Collaboratory grids. This project has four primary task areas: development of portal systems; management of data collections; DOE science application integration; and development of web and grid services in support of the above activities.

An embodied biologically constrained model of foraging: from classical and operant conditioning to adaptive real-world behavior in DAC-X.

Science.gov (United States)

Maffei, Giovanni; Santos-Pata, Diogo; Marcos, Encarni; Sánchez-Fibla, Marti; Verschure, Paul F M J

2015-12-01

Animals successfully forage within new environments by learning, simulating and adapting to their surroundings. The functions behind such goal-oriented behavior can be decomposed into 5 top-level objectives: 'how', 'why', 'what', 'where', 'when' (H4W). The paradigms of classical and operant conditioning describe some of the behavioral aspects found in foraging. However, it remains unclear how the organization of their underlying neural principles account for these complex behaviors. We address this problem from the perspective of the Distributed Adaptive Control theory of mind and brain (DAC) that interprets these two paradigms as expressing properties of core functional subsystems of a layered architecture. In particular, we propose DAC-X, a novel cognitive architecture that unifies the theoretical principles of DAC with biologically constrained computational models of several areas of the mammalian brain. DAC-X supports complex foraging strategies through the progressive acquisition, retention and expression of task-dependent information and associated shaping of action, from exploration to goal-oriented deliberation. We benchmark DAC-X using a robot-based hoarding task including the main perceptual and cognitive aspects of animal foraging. We show that efficient goal-oriented behavior results from the interaction of parallel learning mechanisms accounting for motor adaptation, spatial encoding and decision-making. Together, our results suggest that the H4W problem can be solved by DAC-X building on the insights from the study of classical and operant conditioning. Finally, we discuss the advantages and limitations of the proposed biologically constrained and embodied approach towards the study of cognition and the relation of DAC-X to other cognitive architectures. Copyright © 2015 Elsevier Ltd. All rights reserved.

On-demand Simulation of Atmospheric Transport Processes on the AlpEnDAC Cloud

Science.gov (United States)

Hachinger, S.; Harsch, C.; Meyer-Arnek, J.; Frank, A.; Heller, H.; Giemsa, E.

2016-12-01

The "Alpine Environmental Data Analysis Centre" (AlpEnDAC) develops a data-analysis platform for high-altitude research facilities within the "Virtual Alpine Observatory" project (VAO). This platform, with its web portal, will support use cases going much beyond data management: On user request, the data are augmented with "on-demand" simulation results, such as air-parcel trajectories for tracing down the source of pollutants when they appear in high concentration. The respective back-end mechanism uses the Compute Cloud of the Leibniz Supercomputing Centre (LRZ) to transparently calculate results requested by the user, as far as they have not yet been stored in AlpEnDAC. The queuing-system operation model common in supercomputing is replaced by a model in which Virtual Machines (VMs) on the cloud are automatically created/destroyed, providing the necessary computing power immediately on demand. From a security point of view, this allows to perform simulations in a sandbox defined by the VM configuration, without direct access to a computing cluster. Within few minutes, the user receives conveniently visualized results. The AlpEnDAC infrastructure is distributed among two participating institutes [front-end at German Aerospace Centre (DLR), simulation back-end at LRZ], requiring an efficient mechanism for synchronization of measured and augmented data. We discuss our iRODS-based solution for these data-management tasks as well as the general AlpEnDAC framework. Our cloud-based offerings aim at making scientific computing for our users much more convenient and flexible than it has been, and to allow scientists without a broad background in scientific computing to benefit from complex numerical simulations.

System design description for mini-dacs data acquisition and control system

International Nuclear Information System (INIS)

Vargo, F.G. Jr.; Trujillo, L.T.; Smith, S.O.

1994-01-01

This document describes the hardware computer system, for the mini data acquisition and control system (DACS) that was fabricated by Los Alamos National Laboratory (LANL), to support the testing of the spare mixer pump for SY-101

A 6-bit 4 GS/s pseudo-thermometer segmented CMOS DAC

Science.gov (United States)

Yijun, Song; Wenyuan, Li

2014-06-01

A 6-bit 4 GS/s, high-speed and power-efficient DAC for ultra-high-speed transceivers in 60 GHz band millimeter wave technology is presented. A novel pseudo-thermometer architecture is proposed to realize a good compromise between the fast conversion speed and the chip area. Symmetrical and compact floor planning and layout techniques including tree-like routing, cross-quading and common-centroid method are adopted to guarantee the chip is fully functional up to near-Nyquist frequency in a standard 0.18 μm CMOS process. Post simulation results corroborate the feasibility of the designed DAC, which canperform good static and dynamic linearity without calibration. DNL errors and INL errors can be controlled within ±0.28 LSB and ±0.26 LSB, respectively. SFDR at 4 GHz clock frequency for a 1.9 GHz near-Nyquist sinusoidal output signal is 40.83 dB and the power dissipation is less than 37 mW.

A 6-bit 4 GS/s pseudo-thermometer segmented CMOS DAC

International Nuclear Information System (INIS)

Song Yijun; Li Wenyuan

2014-01-01

A 6-bit 4 GS/s, high-speed and power-efficient DAC for ultra-high-speed transceivers in 60 GHz band millimeter wave technology is presented. A novel pseudo-thermometer architecture is proposed to realize a good compromise between the fast conversion speed and the chip area. Symmetrical and compact floor planning and layout techniques including tree-like routing, cross-quading and common-centroid method are adopted to guarantee the chip is fully functional up to near-Nyquist frequency in a standard 0.18 μm CMOS process. Post simulation results corroborate the feasibility of the designed DAC, which canperform good static and dynamic linearity without calibration. DNL errors and INL errors can be controlled within ±0.28 LSB and ±0.26 LSB, respectively. SFDR at 4 GHz clock frequency for a 1.9 GHz near-Nyquist sinusoidal output signal is 40.83 dB and the power dissipation is less than 37 mW. (semiconductor integrated circuits)

Large eddy simulation of spray and combustion characteristics with realistic chemistry and high-order numerical scheme under diesel engine-like conditions

International Nuclear Information System (INIS)

Zhou, Lei; Luo, Kai Hong; Qin, Wenjin; Jia, Ming; Shuai, Shi Jin

2015-01-01

Highlights: • MUSCL differencing scheme in LES method is used to investigate liquid fuel spray and combustion process. • Using MUSCL can accurately capture the gas phase velocity distribution and liquid spray features. • Detailed chemistry mechanism with a parallel algorithm was used to calculate combustion process. • Increasing oxygen concentration can decrease ignition delay time and flame LOL. - Abstract: The accuracy of large eddy simulation (LES) for turbulent combustion depends on suitably implemented numerical schemes and chemical mechanisms. In the original KIVA3V code, finite difference schemes such as QSOU (Quasi-second-order upwind) and PDC (Partial Donor Cell Differencing) cannot achieve good results or even computational stability when using coarse grids due to large numerical diffusion. In this paper, the MUSCL (Monotone Upstream-centered Schemes for Conservation Laws) differencing scheme is implemented into KIVA3V-LES code to calculate the convective term. In the meantime, Lu’s n-heptane reduced 58-species mechanisms (Lu, 2011) is used to calculate chemistry with a parallel algorithm. Finally, improved models for spray injection are also employed. With these improvements, the KIVA3V-LES code is renamed as KIVALES-CP (Chemistry with Parallel algorithm) in this study. The resulting code was used to study the gas–liquid two phase jet and combustion under various diesel engine-like conditions in a constant volume vessel. The results show that using the MUSCL scheme can accurately capture the spray shape and fuel vapor penetration using even a coarse grid, in comparison with the Sandia experimental data. Similarly good results are obtained for three single-component fuels, i-Octane (C8H18), n-Dodecanese (C12H26), and n-Hexadecane (C16H34) with very different physical properties. Meanwhile the improved methodology is able to accurately predict ignition delay and flame lift-off length (LOL) under different oxygen concentrations from 10% to 21

The potential of a dielectrophoresis activated cell sorter (DACS) as a next generation cell sorter

Science.gov (United States)

Lee, Dongkyu; Hwang, Bohyun; Kim, Byungkyu

2016-12-01

Originally introduced by H. A. Pohl in 1951, dielectrophoretic (DEP) force has been used as a striking tool for biological particle manipulation (or separation) for the last few decades. In particular, dielectrophoresis activated cell sorters (DACSes) have been developed for applications in various biomedical fields. These applications include cell replacement therapy, drug screening and medical diagnostics. Since a DACS does not require a specific bio-marker, it is able to function as a biological particle sorting tool with numerous configurations for various cells [e.g. red blood cells (RBCs), white blood cells (WBCs), circulating tumor cells, leukemia cells, breast cancer cells, bacterial cells, yeast cells and sperm cells]. This article explores current DACS capabilities worldwide, and it also looks at recent developments intended to overcome particular limitations. First, the basic theories are reviewed. Then, representative DACSes based on DEP trapping, traveling wave DEP systems, DEP field-flow fractionation and DEP barriers are introduced, and the strong and weak points of each DACS are discussed. Finally, for the purposes of commercialization, prerequisites regarding throughput, efficiency and recovery rates are discussed in detail through comparisons with commercial cell sorters (e.g. fluorescent activated and magnetic activated cell sorters).

Security and Privacy in a DACS.

Science.gov (United States)

Delgado, Jaime; Llorente, Silvia; Pàmies, Martí; Vilalta, Josep

2016-01-01

The management of electronic health records (EHR), in general, and clinical documents, in particular, is becoming a key issue in the daily work of Healthcare Organizations (HO). The need for providing secure and private access to, and storage for, clinical documents together with the need for HO to interoperate, raises a number of issues difficult to solve. Many systems are in place to manage EHR and documents. Some of these Healthcare Information Systems (HIS) follow standards in their document structure and communications protocols, but many do not. In fact, they are mostly proprietary and do not interoperate. Our proposal to solve the current situation is the use of a DACS (Document Archiving and Communication System) for providing security, privacy and standardized access to clinical documents.

COLLECTIVE ACTION AND COLLECTIVE SCHEME IN THE MOBILIZATION OF LEARNING CHEMISTRY ACCORDING TO VERGNAUD’S THEORY OF CONCEPTUAL FIELDS

Directory of Open Access Journals (Sweden)

Lucia Machado de Andrade

2017-10-01

Full Text Available This research’s aim was to analyze the mobilization in learning chemistry promoted by the collective action of three entrant students in higher education courses, in a college located in Santo André. For such, cognitive indicators mobilized by them while living individual and group situations on water’s boiling point, using Screencast video lessons as a motivational strategy, were analyzed. The fulfilment of these situations’ corresponding tasks was filmed, and the recordings were transcribed and analyzed with the help from the Transana software. The indicators used for the Discursive Textual Analysis were created by associating Vicente Talanquer’s Chemistry Knowledge Space to Gérard Vergnaud’s Theory of Conceptual Fields. The results displayed higher quantity and better quality to the indicators in situations with collective character, to the detriment to the ones with individual character. Thus, one might conclude that, under this research’s conditions, collective action, generated by a collective scheme, was capable of mobilizing the learning of chemistry.

241-SY-101 DACS instrument problem screen (SCR 448) acceptance test procedure

International Nuclear Information System (INIS)

ERMI, A.M.

1999-01-01

The operability of the 241-SY-101 Data Acquisition and Control System (DACS) to provide proper control and monitoring of the mitigation mixer pump and instrumentation installed in the 241-SY-101 underground storage tank utilizing the [INSTPROB] screen will be systematically evaluated by the performance of this procedure

10 CFR Appendix C to Part 835 - Derived Air Concentration (DAC) for Workers From External Exposure During Immersion in a Cloud of...

Science.gov (United States)

2010-01-01

... Exposure During Immersion in a Cloud of Airborne Radioactive Material C Appendix C to Part 835 Energy... Concentration (DAC) for Workers From External Exposure During Immersion in a Cloud of Airborne Radioactive...-infinite cloud of airborne radioactive material. The DACs listed in this appendix may be modified to allow...

Nuclear chemistry in the traditional chemistry program

International Nuclear Information System (INIS)

Kleppinger, E.W.

1993-01-01

The traditional undergraduate program for chemistry majors, especially at institutions devoted solely to undergraduate education, has limited space for 'special topics' courses in areas such as nuclear and radiochemistry. A scheme is proposed whereby the basic topics covered in an introductury radiochemistry course are touched upon, and in some cases covered in detail, at some time during the four-year sequence of courses taken by a chemistry major. (author) 6 refs.; 7 tabs

The architecture design of a 2mW 18-bit high speed weight voltage type DAC based on dual weight resistance chain

Science.gov (United States)

Qixing, Chen; Qiyu, Luo

2013-03-01

At present, the architecture of a digital-to-analog converter (DAC) in essence is based on the weight current, and the average value of its D/A signal current increases in geometric series according to its digital signal bits increase, which is 2n-1 times of its least weight current. But for a dual weight resistance chain type DAC, by using the weight voltage manner to D/A conversion, the D/A signal current is fixed to chain current Icha; it is only 1/2n-1 order of magnitude of the average signal current value of the weight current type DAC. Its principle is: n pairs dual weight resistances form a resistance chain, which ensures the constancy of the chain current; if digital signals control the total weight resistance from the output point to the zero potential point, that could directly control the total weight voltage of the output point, so that the digital signals directly turn into a sum of the weight voltage signals; thus the following goals are realized: (1) the total current is less than 200 μA (2) the total power consumption is less than 2 mW; (3) an 18-bit conversion can be realized by adopting a multi-grade structure; (4) the chip area is one order of magnitude smaller than the subsection current-steering type DAC; (5) the error depends only on the error of the unit resistance, so it is smaller than the error of the subsection current-steering type DAC; (6) the conversion time is only one action time of switch on or off, so its speed is not lower than the present DAC.

The architecture design of a 2mW 18-bit high speed weight voltage type DAC based on dual weight resistance chain

International Nuclear Information System (INIS)

Chen Qixing; Luo Qiyu

2013-01-01

At present, the architecture of a digital-to-analog converter (DAC) in essence is based on the weight current, and the average value of its D/A signal current increases in geometric series according to its digital signal bits increase, which is 2 n−1 times of its least weight current. But for a dual weight resistance chain type DAC, by using the weight voltage manner to D/A conversion, the D/A signal current is fixed to chain current I cha ; it is only 1/2 n−1 order of magnitude of the average signal current value of the weight current type DAC. Its principle is: n pairs dual weight resistances form a resistance chain, which ensures the constancy of the chain current; if digital signals control the total weight resistance from the output point to the zero potential point, that could directly control the total weight voltage of the output point, so that the digital signals directly turn into a sum of the weight voltage signals; thus the following goals are realized: (1) the total current is less than 200 μA; (2) the total power consumption is less than 2 mW; (3) an 18-bit conversion can be realized by adopting a multi-grade structure; (4) the chip area is one order of magnitude smaller than the subsection current-steering type DAC; (5) the error depends only on the error of the unit resistance, so it is smaller than the error of the subsection current-steering type DAC; (6) the conversion time is only one action time of switch on or off, so its speed is not lower than the present DAC. (semiconductor integrated circuits)

Distribution automation and control support; Analysis and interpretation of DAC working group results for use in project planning

Science.gov (United States)

Klock, P.; Evans, D.

1979-01-01

The Executive Summary and Proceedings of the Working Group Meeting was analyzed to identify specific projects appropriate for Distribution Automation and Control DAC RD&D. Specific projects that should be undertaken in the DAC RD&D program were recommended. The projects are presented under broad categories of work selected based on ESC's interpretation of the results of the Working Group Meeting. Some of the projects are noted as utility industry projects. The ESC recommendations regarding program management are presented. Utility versus Government management responsibilities are noted.

SciDAC-Data, A Project to Enabling Data Driven Modeling of Exascale Computing

Energy Technology Data Exchange (ETDEWEB)

Mubarak, M.; Ding, P.; Aliaga, L.; Tsaris, A.; Norman, A.; Lyon, A.; Ross, R.

2016-10-10

The SciDAC-Data project is a DOE funded initiative to analyze and exploit two decades of information and analytics that have been collected by the Fermilab Data Center on the organization, movement, and consumption of High Energy Physics data. The project will analyze the analysis patterns and data organization that have been used by the NOvA, MicroBooNE, MINERvA and other experiments, to develop realistic models of HEP analysis workflows and data processing. The SciDAC-Data project aims to provide both realistic input vectors and corresponding output data that can be used to optimize and validate simulations of HEP analysis. These simulations are designed to address questions of data handling, cache optimization and workflow structures that are the prerequisites for modern HEP analysis chains to be mapped and optimized to run on the next generation of leadership class exascale computing facilities. We will address the use of the SciDAC-Data distributions acquired from Fermilab Data Center’s analysis workflows and corresponding to around 71,000 HEP jobs, as the input to detailed queuing simulations that model the expected data consumption and caching behaviors of the work running in HPC environments. In particular we describe in detail how the Sequential Access via Metadata (SAM) data handling system in combination with the dCache/Enstore based data archive facilities have been analyzed to develop the radically different models of the analysis of HEP data. We present how the simulation may be used to analyze the impact of design choices in archive facilities.

A low-order coupled chemistry meteorology model for testing online and offline data assimilation schemes

Science.gov (United States)

Haussaire, J.-M.; Bocquet, M.

2015-08-01

Bocquet and Sakov (2013) have introduced a low-order model based on the coupling of the chaotic Lorenz-95 model which simulates winds along a mid-latitude circle, with the transport of a tracer species advected by this zonal wind field. This model, named L95-T, can serve as a playground for testing data assimilation schemes with an online model. Here, the tracer part of the model is extended to a reduced photochemistry module. This coupled chemistry meteorology model (CCMM), the L95-GRS model, mimics continental and transcontinental transport and the photochemistry of ozone, volatile organic compounds and nitrogen oxides. Its numerical implementation is described. The model is shown to reproduce the major physical and chemical processes being considered. L95-T and L95-GRS are specifically designed and useful for testing advanced data assimilation schemes, such as the iterative ensemble Kalman smoother (IEnKS) which combines the best of ensemble and variational methods. These models provide useful insights prior to the implementation of data assimilation methods on larger models. We illustrate their use with data assimilation schemes on preliminary, yet instructive numerical experiments. In particular, online and offline data assimilation strategies can be conveniently tested and discussed with this low-order CCMM. The impact of observed chemical species concentrations on the wind field can be quantitatively estimated. The impacts of the wind chaotic dynamics and of the chemical species non-chaotic but highly nonlinear dynamics on the data assimilation strategies are illustrated.

Building a Universal Nuclear Energy Density Functional (UNEDF). SciDAC-2 Project

Energy Technology Data Exchange (ETDEWEB)

Vary, James P. [Iowa State University, Ames, IA (United States); Carlson, Joe; Furnstahl, Dick; Horoi, Mihai; Lusk, Rusty; Nazarewicz, Witek; Ng, Esmond; Thompson, Ian

2012-09-29

An understanding of the properties of atomic nuclei is crucial for a complete nuclear theory, for element formation, for properties of stars, and for present and future energy and defense applications. During the period of Dec. 1 2006 – Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. Until recently such an undertaking was hard to imagine, and even at the present time such an ambitious endeavor would be far beyond what a single researcher or a traditional research group could carry out. The UNEDF SciDAC project has developed several key computational codes and algorithms for reaching the goal of solving the nuclear quantum many-body problem throughout the chart of nuclei. Without such developments, scientific progress would not be possible. In addition the UNEDF SciDAC successfully applied these developments to solve many forefront research problems.

A performance improvement and cost-efficient ACO-OFDM scheme for visible light communications

Science.gov (United States)

Zhang, Tiantian; Zhou, Ji; Zhang, Zhenshan; Qiao, Yaojun; Su, Fei; Yang, Aiying

2017-11-01

In this paper, we propose a performance improvement and cost-efficient discrete Hartley transform (DHT)-based asymmetrically clipped optical orthogonal frequency division multiplexing (ACO-OFDM) scheme for visible light communications (VLC). The simple one-dimensional modulation constellation and simplified encoding structure reduce the complexity of system considerably. The DHT-spreading technique is employed to reduce peak-to-average power ratio (PAPR) of ACO-OFDM signals. Moreover, the intra-symbol frequency-domain averaging (ISFA) technique is used to increase the accuracy of channel estimation by removing the effect of ambient noise in the VLC channel effectively. To verify the feasibility of the proposed scheme, we study its performance via simulation. This scheme reduces the requirement to the resolution of DAC and increases the tolerance to the nonlinear characteristics of LED, both of which are cost-efficient. At forward error correction (FEC) limit (BER = 1 × 10-3), simulation results illustrate that compared with DHT-based ACO-OFDM without the ISFA technique, our scheme has 3.2 dB and 2.7 dB improvement of the required Eb /N0 when BPSK and 4-PAM are modulated, respectively.

Computer system design description for the spare pump mini-dacs data acquisition and control system

International Nuclear Information System (INIS)

Vargo, G.F. Jr.

1994-01-01

The attached document outlines the computer software design for the mini data acquisition and control system (DACS), that supports the testing of the spare pump for Tank 241-SY-101, at the maintenance and storage facility (MASF)

Study of the epitope structure of purified Dac G I and Lol p I, the major allergens of Dactylis glomerata and Lolium perenne pollens, using monoclonal antibodies.

Science.gov (United States)

Mourad, W; Mécheri, S; Peltre, G; David, B; Hébert, J

1988-11-15

The use of mAb allowed us to further analyze the cross-reactivity between purified Dac g I and Lol p I, the major allergens of Dactylis glomerata (cocksfoot) and Lolium perenne (Rye grass), respectively. It was first shown, using IEF, followed by immunoprinting, that serum IgE antibodies from most grass-sensitive patients recognize both Dac g I and Lol p I. Second, three different anti-Lol p I mAb, 290A-167, 348A-6, and 539A-6, and one anti-Dac g I mAb, P3B2 were all shown to react with Dac g I and Lol p I, indicating that the two molecules share common epitopes. Epitope specificity of the mAb was determined by competitive binding inhibition of a given labeled mAb to solid phase fixed Dac g I or Lol p I by the mAb. The results indicated that the four mAb are directed against four different and non-overlapping epitopes present on both allergens. Using double-binding RIA, our data strongly suggest that the common epitopes are not repetitive on both molecules. In addition to their similar physicochemical characteristics, such as isolectric points and m.w., Dac g I and Lol p I share four identical epitopes. Binding inhibition of human IgE to Lol p I and Dac g I by the mAb was also assessed. The results indicated that each mAb was able to inhibit such reactions to variable degree but no additive inhibition was observed when two mAb of different specificities were used in combination, suggesting that the human IgE binding site is partially shared by each epitope recognized by the four mAb.

The Logical and Psychological Structure of Physical Chemistry and Its Relevance to the Organization/Sequencing of the Major Areas Covered in Physical Chemistry Textbooks

Science.gov (United States)

Tsaparlis, Georgios

2014-01-01

Jensen's scheme for the logical structure of chemistry is taken as reference to study the logical structure of physical chemistry. The scheme distinguishes three dimensions (composition and structure, energy, and time), with each dimension treated at one of the three levels (molar, molecular, and electrical). Such a structure places the outer…

A four-dimensional variational chemistry data assimilation scheme for Eulerian chemistry transport modeling

Science.gov (United States)

Eibern, Hendrik; Schmidt, Hauke

1999-08-01

The inverse problem of data assimilation of tropospheric trace gas observations into an Eulerian chemistry transport model has been solved by the four-dimensional variational technique including chemical reactions, transport, and diffusion. The University of Cologne European Air Pollution Dispersion Chemistry Transport Model 2 with the Regional Acid Deposition Model 2 gas phase mechanism is taken as the basis for developing a full four-dimensional variational data assimilation package, on the basis of the adjoint model version, which includes the adjoint operators of horizontal and vertical advection, implicit vertical diffusion, and the adjoint gas phase mechanism. To assess the potential and limitations of the technique without degrading the impact of nonperfect meteorological analyses and statistically not established error covariance estimates, artificial meteorological data and observations are used. The results are presented on the basis of a suite of experiments, where reduced records of artificial "observations" are provided to the assimilation procedure, while other "data" is retained for performance control of the analysis. The paper demonstrates that the four-dimensional variational technique is applicable for a comprehensive chemistry transport model in terms of computational and storage requirements on advanced parallel platforms. It is further shown that observed species can generally be analyzed, even if the "measurements" have unbiased random errors. More challenging experiments are presented, aiming to tax the skill of the method (1) by restricting available observations mostly to surface ozone observations for a limited assimilation interval of 6 hours and (2) by starting with poorly chosen first guess values. In this first such application to a three-dimensional chemistry transport model, success was also achieved in analyzing not only observed but also chemically closely related unobserved constituents.

241-SY-101 data acquisition and control system (DACS) remote operator interface operational test report

International Nuclear Information System (INIS)

ERMI, A.M.

1999-01-01

The readiness of the upgraded 241-SY-101 Data Acquisition and Control System (DACS) to provide proper control and monitoring of the mixer pump and instrumentation in tank 241-SY-101 was evaluated by the performance of OTP-440-001. Results of the OTP are reported here

Cycloadditions in modern polymer chemistry.

Science.gov (United States)

Delaittre, Guillaume; Guimard, Nathalie K; Barner-Kowollik, Christopher

2015-05-19

Synthetic polymer chemistry has undergone two major developments in the last two decades. About 20 years ago, reversible-deactivation radical polymerization processes started to give access to a wide range of polymeric architectures made from an almost infinite reservoir of functional building blocks. A few years later, the concept of click chemistry revolutionized the way polymer chemists approached synthetic routes. Among the few reactions that could qualify as click, the copper-catalyzed azide-alkyne cycloaddition (CuAAC) initially stood out. Soon, many old and new reactions, including cycloadditions, would further enrich the synthetic macromolecular chemistry toolbox. Whether click or not, cycloadditions are in any case powerful tools for designing polymeric materials in a modular fashion, with a high level of functionality and, sometimes, responsiveness. Here, we wish to describe cycloaddition methodologies that have been reported in the last 10 years in the context of macromolecular engineering, with a focus on those developed in our laboratories. The overarching structure of this Account is based on the three most commonly encountered cycloaddition subclasses in organic and macromolecular chemistry: 1,3-dipolar cycloadditions, (hetero-)Diels-Alder cycloadditions ((H)DAC), and [2+2] cycloadditions. Our goal is to briefly describe the relevant reaction conditions, the advantages and disadvantages, and the realized polymer applications. Furthermore, the orthogonality of most of these reactions is highlighted because it has proven highly beneficial for generating unique, multifunctional polymers in a one-pot reaction. The overview on 1,3-dipolar cycloadditions is mostly centered on the application of CuAAC as the most travelled route, by far. Besides illustrating the capacity of CuAAC to generate complex polymeric architectures, alternative 1,3-dipolar cycloadditions operating without the need for a catalyst are described. In the area of (H)DA cycloadditions

Performance Engineering Research Institute SciDAC-2 Enabling Technologies Institute Final Report

Energy Technology Data Exchange (ETDEWEB)

Hall, Mary [University of Utah

2014-09-19

Enhancing the performance of SciDAC applications on petascale systems has high priority within DOE SC. As we look to the future, achieving expected levels of performance on high-end com-puting (HEC) systems is growing ever more challenging due to enormous scale, increasing archi-tectural complexity, and increasing application complexity. To address these challenges, PERI has implemented a unified, tripartite research plan encompassing: (1) performance modeling and prediction; (2) automatic performance tuning; and (3) performance engineering of high profile applications. The PERI performance modeling and prediction activity is developing and refining performance models, significantly reducing the cost of collecting the data upon which the models are based, and increasing model fidelity, speed and generality. Our primary research activity is automatic tuning (autotuning) of scientific software. This activity is spurred by the strong user preference for automatic tools and is based on previous successful activities such as ATLAS, which has automatically tuned components of the LAPACK linear algebra library, and other re-cent work on autotuning domain-specific libraries. Our third major component is application en-gagement, to which we are devoting approximately 30% of our effort to work directly with Sci-DAC-2 applications. This last activity not only helps DOE scientists meet their near-term per-formance goals, but also helps keep PERI research focused on the real challenges facing DOE computational scientists as they enter the Petascale Era.

Improving Performance in a Second Year Chemistry Course: An ...

African Journals Online (AJOL)

NJD

Improving Performance in a Second Year Chemistry. Course: An Evaluation of a Tutorial Scheme on the. Learning of Chemistry. Bette Davidowitza* and Marissa Rollnickb**. aDepartment of Chemistry, University of Cape Town, South Africa. bSchool of Education, University of Witwatersrand, South Africa. Received 11 ...

A 1.2-V 165-μW 0.29-mm² Multibit Sigma-Delta ADC for Hearing Aids Using Nonlinear DACs and With Over 91 dB Dynamic-Range

DEFF Research Database (Denmark)

Custódio, José R.; Goes, João; Paulino, Nuno

2013-01-01

This paper describes the design and experimental evaluation of a multibit Sigma-Delta (ΣΔ) modulator (ΣΔM) with enhanced dynamic range (DR) through the use of nonlinear digital-to-analog converters (DACs) in the feedback paths. This nonlinearity imposes a trade-off between DR and distortion, which...... in a 130 nm digital CMOS technology, which includes the proposed modulator with nonlinear DACs and a modulator with conventional linear DACs, for comparison purposes. The measured results show that the ΣΔM using nonlinear DACs achieves an enhancement of the DR around 8.4 dB (to 91.4 dB). Power dissipation...... and silicon area are about the same for the two cases. The performance achieved is comparable to that of the best reported multibit ΣΔ ADCs, with the advantage of occupying less silicon area (7.5 times lower area when compared with the most energy efficient ΣΔM)....

System Design Description for the SY-101 Hydrogen Mitigation Test Project Data Acquisition and Control System (DACS-1)

Energy Technology Data Exchange (ETDEWEB)

ERMI, A.M.

2000-01-24

This document describes the hardware and software of the computer subsystems for the Data Acquisition and Control System (DACS) used in mitigation tests conducted on waste tank 241-SY-101 at the Hanford Nuclear Reservation.

241-SY-101 data acquisition and control system (DACS) operator interface upgrade operational test report

International Nuclear Information System (INIS)

ERMI, A.M.

1999-01-01

This procedure provides instructions for readiness of the first portion of the upgraded 241-SY-101 Data Acquisition and Control System (DACS) computer system to provide proper control and monitoring of the mitigation mixer pump and instrumentation installed in the 241-SY-101 underground storage tank will be systematically evaluated by the performance of this procedure

A 115dB-DR Audio DAC with –61dBFS out-of-band noise

NARCIS (Netherlands)

Westerveld, H.J.; Schinkel, Daniel; van Tuijl, Adrianus Johannes Maria

2015-01-01

Out-of-band noise (OBN) is troublesome in analog circuits that process the output of a noise-shaping audio DAC. It causes slewing in amplifiers and aliasing in sampling circuits like ADCs and class-D amplifiers. Nonlinearity in these circuits also causes cross-modulation of the OBN into the audio

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)

Development of a Corrosion Potential Measuring System Based on the Generalization of DACS Physical Scale Modeling

Directory of Open Access Journals (Sweden)

Song Dalei

2015-01-01

Full Text Available A feasible method in evaluating the protection effect and corrosion state of marine cathodic protection (CP systems is collecting sufficient electric potential data around a submarine pipeline and then establishing the mapping relations between these data and corrosion states of pipelines. However, it is difficult for scientists and researchers to obtain those data accurately due to the harsh marine environments and absence of dedicated potential measurement device. In this paper, to alleviate these two problems, firstly, the theory of dimension and conductivity scaling (DACS physical scale modeling of marine impressed current cathodic protection (ICCP systems is generalized to marine CP systems, secondly, a potential measurement device is developed specially and analogue experiment is designed according to DACS physical scale modeling to verify the feasibility of the measuring system. The experimental results show that 92 percent of the measurement errors are less than 0.25mv, thereby providing an economical and feasible measuring system to get electric potential data around an actual submarine pipeline under CP.

The Chemistry of Griseofulvin

DEFF Research Database (Denmark)

Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld

2014-01-01

Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis...

Work plan for upgrade of SY-101 Hydrogen Mitigation Test Project Data Acquisition and Control Systemm (DACS-1)

International Nuclear Information System (INIS)

Truitt, R.W.

1994-08-01

The purpose of this effort is to upgrade the existing DACS-1 used for control and data acquisition in support of the hydrogen mitigation program for tank 101-SY. The planned upgrades will enhance the system capabilities to support additional mitigation projects and improve the system operability by implementing changes identified during operation of the system to date. Once the upgrades have been implemented, the DACS-1 system should operate as it did prior to the upgrade, but with greatly increased speed and capability. No retraining of Test Engineers will be required; the upgrade is designed to be transparent to those who operate it, with only a noticeable increase in the speed of the system. This work plan defines the tasks required for implementing the upgrade. It identifies deliverables, responsible organizations and individuals, interfaces, and schedule. This upgrade effort employs system engineering principles wherever applicable

A cryogenic DAC operating down to 4.2 K

Science.gov (United States)

Rahman, M. T.; Lehmann, T.

2016-04-01

This paper presents a 10 bit CMOS current steering digital to analog converter (DAC) that operates from room temperature to as low as 4.2 K. It works as the core part of a cryogenic Silicon quantum computer controller circuit producing rapid control gate voltage pulses for quantum bits (qubits) initialization. An improved analog calibration method with a unique unit current cell design is included in the D/A converter structure to overcome the extended cryogenic nonlinear and mismatch effects. The DAC retains its 10 bit linear monotonic behavior over the wide temperature range and it drives a 50 Ω load to 516 mV with a full scale rise time of 10 ns. The differential non-linearity (DNL) of the converter is 0.35LSB while its average power consumption is 32.18 mW from a 3 V power supply. The complete converter is fabricated using a commercial 0.5 μm 1 poly 3 metal Silicon on Sapphire (SOS) CMOS process. He briefly worked as a Lecturer in the Stamford University Bangladesh prior to starting his Ph.D. in 2012 in the School of Electrical Engineering and Telecommunications, UNSW. His Ph.D. research is focused on cryogenic electronics for Quantum Computer Interface. His main research interests are in designing data converters for ultra-low temperature electronics and biomedical applications. He spent two years as a Research Fellow at the University of Edinburgh, U.K., where he worked with biologically inspired artificial neural systems. From 1997 to 2000, he was an Assistant Professor in electronics at the Technical University of Denmark, working with low-power low-noise low-voltage analog and mixed analog-digital integrated circuits. From 2001 to 2003 he was Principal Engineer with Cochlear Ltd., Australia, where he was involved in the design of the world's first fully implantable cochlear implant. Today he is Associate Professor in microelectronics at the University of New South Wales, Australia. He has authored over 100 journal papers, conference papers, book chapters

Human-machine interface (HMI) report for 241-SY-101 data acquisition system (DACS) upgrade study

International Nuclear Information System (INIS)

Truitt, R.W.

1997-01-01

This report provides an independent evaluation of information for a Windows based Human Machine Interface (HMI) to replace the existing DOS based Iconics HMI currently used in the Data Acquisition and Control System (DACS) used at Tank 241-SY-101. A fundamental reason for this evaluation is because of the difficulty of maintaining the system with obsolete, unsupported software. The DACS uses a software operator interface (Genesis for DOS HMI) that is no longer supported by its manufacturer, Iconics. In addition to its obsolescence, it is complex and difficult to train additional personnel on. The FY 1997 budget allocated $40K for phase 1 of a software/hardware upgrade that would have allowed the old DOS based system to be replaced by a current Windows based system. Unfortunately, budget constraints during FY 1997 has prompted deferral of the upgrade. The upgrade needs to be performed at the earliest possible time, before other failures render the system useless. Once completed, the upgrade could alleviate other concerns: spare pump software may be able to be incorporated into the same software as the existing pump, thereby eliminating the parallel path dilemma; and the newer, less complex software should expedite training of future personnel, and in the process, require that less technical time be required to maintain the system

Nuclear analytical chemistry 5. Tables, nomograms and schemes

Energy Technology Data Exchange (ETDEWEB)

Tolgyessy, J; Varga, S; Dillinger, P; Kyrs, M

1976-01-01

Tables, graphs and nomograms are given on aspects of nuclear analytical chemistry. The tables contain data on physical and chemical units and their conversion, exponential functions, the characteristics of radioactive nuclides, data on the interaction of nuclear radiation with matter, data useful in measuring nuclear radiation, in scintillation and semiconductor spectrometry, activation analysis, data on masking reactions of ions in chemical separation, on extraction, ion exchange, accuracy in applying the method of isotope dilution, on radiochemical analysis.

a Thtee-Dimensional Variational Assimilation Scheme for Satellite Aod

Science.gov (United States)

Liang, Y.; Zang, Z.; You, W.

2018-04-01

A three-dimensional variational data assimilation scheme is designed for satellite AOD based on the IMPROVE (Interagency Monitoring of Protected Visual Environments) equation. The observation operator that simulates AOD from the control variables is established by the IMPROVE equation. All of the 16 control variables in the assimilation scheme are the mass concentrations of aerosol species from the Model for Simulation Aerosol Interactions and Chemistry scheme, so as to take advantage of this scheme in providing comprehensive analyses of species concentrations and size distributions as well as be calculating efficiently. The assimilation scheme can save computational resources as the IMPROVE equation is a quadratic equation. A single-point observation experiment shows that the information from the single-point AOD is effectively spread horizontally and vertically.

Pulse oximeter improvement with an ADC-DAC feedback loop and a radial reflectance sensor.

Science.gov (United States)

Thompson, David; Wareing, Austin; Day, Dwight; Warren, Steve

2006-01-01

Pulse oximeter circuitry must meet several design constraints, including the ability to separate a small pulsatile signal component from a large signal baseline. This paper describes pulse oximeter design changes that produced order-of-magnitude improvements in signal quality. The primary changes were (a) the replacement of an analog sample-and-hold-based differentiator circuit with an ADC-DAC feedback loop and (b) the replacement of a side-by-side reflectance sensor design with a radial sensor arrangement that maximizes the pulsatile-to-baseline signal ratio.

A current-steering self-calibration 14-bit 100-MSPs DAC

International Nuclear Information System (INIS)

Qiu Dong; Fang Sheng; Li Ran; Xie Renzhong; Yi Ting; Hong Zhfflang

2010-01-01

This paper presents the design and implementation of a 14-bit, 100 MS/s CMOS digital-to-analog converter (DAC). Analog background self-calibration based on the concept of analog current trimming is introduced. A constant clock load switch driver, a calibration period randomization circuit and a return-to-zero output stage have been adopted to improve the dynamic performance. The chip has been manufactured in a SMIC 0.13-μm process and occupies 1.33 x 0.97 mm 2 of the core area. The current consumption is 50 mA under 1.2/3.3 V dual power supplies for digital and analog, respectively. The measured differential and integral nonlinearity is 3.1 LSB and 4.3 LSB, respectively. The SFDR is 72.8 dB at a 1 MHz signal and a 100 MHz sampling frequency. (semiconductor integrated circuits)

Inorganic and organic radiation chemistry: state and problems

International Nuclear Information System (INIS)

Kalyazin, E.P.; Bugaenko, L.T.

1990-01-01

Radiation inorganic and organic chemistry is presented on the basis of the general scheme and classification of radiolysis products and elementary processes, by which evolution of radiation-affected substances up to the final radiolysis products takes place. The evolution is traced for the representatives of inorganic and organic compounds. The contribution of radiation inorganic and organic chemistry to radiation technology, radiation materials technology, radiation ecology and medicine, is shown. Tendencies in the development of radiation chemistry and prediction of its certain directions are considered

Interpolation by a prime factor other than 2 in low-voltage low-power ΣΔ DAC

DEFF Research Database (Denmark)

Pracný, Peter; Jørgensen, Ivan Harald Holger; Chen, Liang

2013-01-01

This paper presents power optimization of a sigma-delta (ΣΔ) modulator based digital-to-analog converter (DAC) for hearing-aid audio back-end application. In a number of state-of-the-art publications the oversampling ratio (OSR) of the ΣΔ modulator is chosen as a factor of integer power of two...... optimization approach can be used for other low voltage low power portable audio applications (mobile phones, notebook computers etc.)....

A current-steering self-calibration 14-bit 100-MSPs DAC

Energy Technology Data Exchange (ETDEWEB)

Qiu Dong; Fang Sheng; Li Ran; Xie Renzhong; Yi Ting; Hong Zhfflang, E-mail: yiting@fudan.edu.cn [State Key Laboratory of ASIC and System, Fudan University, Shanghai 201203 (China)

2010-12-15

This paper presents the design and implementation of a 14-bit, 100 MS/s CMOS digital-to-analog converter (DAC). Analog background self-calibration based on the concept of analog current trimming is introduced. A constant clock load switch driver, a calibration period randomization circuit and a return-to-zero output stage have been adopted to improve the dynamic performance. The chip has been manufactured in a SMIC 0.13-{mu}m process and occupies 1.33 x 0.97 mm{sup 2} of the core area. The current consumption is 50 mA under 1.2/3.3 V dual power supplies for digital and analog, respectively. The measured differential and integral nonlinearity is 3.1 LSB and 4.3 LSB, respectively. The SFDR is 72.8 dB at a 1 MHz signal and a 100 MHz sampling frequency. (semiconductor integrated circuits)

A low-order coupled chemistry meteorology model for testing online and offline data assimilation schemes: L95-GRS (v1.0)

Science.gov (United States)

Haussaire, J.-M.; Bocquet, M.

2016-01-01

Bocquet and Sakov (2013) introduced a low-order model based on the coupling of the chaotic Lorenz-95 (L95) model, which simulates winds along a mid-latitude circle, with the transport of a tracer species advected by this zonal wind field. This model, named L95-T, can serve as a playground for testing data assimilation schemes with an online model. Here, the tracer part of the model is extended to a reduced photochemistry module. This coupled chemistry meteorology model (CCMM), the L95-GRS (generic reaction set) model, mimics continental and transcontinental transport and the photochemistry of ozone, volatile organic compounds and nitrogen oxides. Its numerical implementation is described. The model is shown to reproduce the major physical and chemical processes being considered. L95-T and L95-GRS are specifically designed and useful for testing advanced data assimilation schemes, such as the iterative ensemble Kalman smoother (IEnKS), which combines the best of ensemble and variational methods. These models provide useful insights prior to the implementation of data assimilation methods into larger models. We illustrate their use with data assimilation schemes on preliminary yet instructive numerical experiments. In particular, online and offline data assimilation strategies can be conveniently tested and discussed with this low-order CCMM. The impact of observed chemical species concentrations on the wind field estimate can be quantitatively assessed. The impacts of the wind chaotic dynamics and of the chemical species non-chaotic but highly nonlinear dynamics on the data assimilation strategies are illustrated.

Analyzing how we do Analysis and Consume Data, Results from the SciDAC-Data Project

Science.gov (United States)

Ding, P.; Aliaga, L.; Mubarak, M.; Tsaris, A.; Norman, A.; Lyon, A.; Ross, R.

2017-10-01

One of the main goals of the Dept. of Energy funded SciDAC-Data project is to analyze the more than 410,000 high energy physics datasets that have been collected, generated and defined over the past two decades by experiments using the Fermilab storage facilities. These datasets have been used as the input to over 5.6 million recorded analysis projects, for which detailed analytics have been gathered. The analytics and meta information for these datasets and analysis projects are being combined with knowledge of their part of the HEP analysis chains for major experiments to understand how modern computing and data delivery is being used. We present the first results of this project, which examine in detail how the CDF, D0, NOvA, MINERvA and MicroBooNE experiments have organized, classified and consumed petascale datasets to produce their physics results. The results include analysis of the correlations in dataset/file overlap, data usage patterns, data popularity, dataset dependency and temporary dataset consumption. The results provide critical insight into how workflows and data delivery schemes can be combined with different caching strategies to more efficiently perform the work required to mine these large HEP data volumes and to understand the physics analysis requirements for the next generation of HEP computing facilities. In particular we present a detailed analysis of the NOvA data organization and consumption model corresponding to their first and second oscillation results (2014-2016) and the first look at the analysis of the Tevatron Run II experiments. We present statistical distributions for the characterization of these data and data driven models describing their consumption.

Multisensor transducer based on a parallel fiber optic digital-to-analog converter

Directory of Open Access Journals (Sweden)

Grechishnikov Vladimir

2017-01-01

Full Text Available Considered possibility of creating a multisensory information converter (MSPI based on new fiber-optic functional element-digital-to-analog (DAC fiber optic converter. The use of DAC fiber-optic provides jamming immunity combined with low weight and cost of indicators .Because of that MSPI scheme was developed based on parallel DAC fiber-optic (Russian Federation Patent 157416. We came up with an equation for parallel DAC fiber-optic. An eleborate general mathematical model of the proposed converter. Developed a method for reducing conversion errors by placing the DAC transfer function between i and i + 1 ADC quantization levels. By using this model it allows you to obtain reliable information about the technical capabilities of a converter without the need for costly experiments.

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

Recombinant pollen allergens from Dactylis glomerata: preliminary evidence that human IgE cross-reactivity between Dac g II and Lol p I/II is increased following grass pollen immunotherapy.

Science.gov (United States)

Roberts, A M; Van Ree, R; Cardy, S M; Bevan, L J; Walker, M R

1992-07-01

We previously described the isolation of three identical complementary DNA (cDNA) clones, constructed from Orchard/Cocksfoot grass (Dactylis glomerata) anther messenger RNA (mRNA), expressing a 140,000 MW beta-galactosidase fusion protein recognized by IgE antibodies in atopic sera. Partial nucleotide sequencing and inferred amino acid sequence showed greater than 90% homology with the group II allergen from Lolium perenne (Lol II) indicating they encode the group II equivalent, Dac g II. Western blot immunoprobing of recombinant lysates with rabbit polyclonal, mouse monoclonal and human polyclonal antisera demonstrates immunological identity between recombinant Dac g II, Lol p I and Lol p II. Similar cross-identity is observed with pollen extracts from three other grass species: Festuca rubra, Phleum pratense and Anthoxanthum odoratum. Recombinant Dac g II was recognized by species- and group-cross-reactive human IgE antibodies in 33% (4/12) of sera randomly selected from grass-sensitive individuals and in 67% (14/21) of sera from patients receiving grass pollen immunotherapy, whilst 0/4 sera from patients receiving venom immunotherapy alone contained Dac g II cross-reactive IgE. Cross-reactive IgG4 antibodies were detectable in 95% of sera from grass pollen immunotherapy patients. These preliminary data suggest that conventional grass pollen allergoid desensitization immunotherapy may induce IgE responses to a cross-reactive epitope(s) co-expressed by grass pollen groups I and II (and possibly group III) allergens.

Human-machine interface (HMI) report for 241-SY-101 data acquisition [and control] system (DACS) upgrade study

Energy Technology Data Exchange (ETDEWEB)

Truitt, R.W.

1997-10-22

This report provides an independent evaluation of information for a Windows based Human Machine Interface (HMI) to replace the existing DOS based Iconics HMI currently used in the Data Acquisition and Control System (DACS) used at Tank 241-SY-101. A fundamental reason for this evaluation is because of the difficulty of maintaining the system with obsolete, unsupported software. The DACS uses a software operator interface (Genesis for DOS HMI) that is no longer supported by its manufacturer, Iconics. In addition to its obsolescence, it is complex and difficult to train additional personnel on. The FY 1997 budget allocated $40K for phase 1 of a software/hardware upgrade that would have allowed the old DOS based system to be replaced by a current Windows based system. Unfortunately, budget constraints during FY 1997 has prompted deferral of the upgrade. The upgrade needs to be performed at the earliest possible time, before other failures render the system useless. Once completed, the upgrade could alleviate other concerns: spare pump software may be able to be incorporated into the same software as the existing pump, thereby eliminating the parallel path dilemma; and the newer, less complex software should expedite training of future personnel, and in the process, require that less technical time be required to maintain the system.

Green chemistry for chemical synthesis

OpenAIRE

Li, Chao-Jun; Trost, Barry M.

2008-01-01

Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical productions, and seeking greener solvents that are inherently environmentally and ecologically benign.

Green chemistry for chemical synthesis.

Science.gov (United States)

Li, Chao-Jun; Trost, Barry M

2008-09-09

Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical productions, and seeking greener solvents that are inherently environmentally and ecologically benign.

A new 2D climate model with chemistry and self consistent eddy-parameterization. The impact of airplane NO{sub x} on the chemistry of the atmosphere

Energy Technology Data Exchange (ETDEWEB)

Gepraegs, R.; Schmitz, G.; Peters, D. [Institut fuer Atmosphaerenphysik, Kuehlungsborn (Germany)

1997-12-31

A 2D version of the ECHAM T21 climate model has been developed. The new model includes an efficient spectral transport scheme with implicit diffusion. Furthermore, photodissociation and chemistry of the NCAR 2D model have been incorporated. A self consistent parametrization scheme is used for eddy heat- and momentum flux in the troposphere. It is based on the heat flux parametrization of Branscome and mixing-length formulation for quasi-geostrophic vorticity. Above 150 hPa the mixing-coefficient K{sub yy} is prescribed. Some of the model results are discussed, concerning especially the impact of aircraft NO{sub x} emission on the model chemistry. (author) 6 refs.

A new 2D climate model with chemistry and self consistent eddy-parameterization. The impact of airplane NO{sub x} on the chemistry of the atmosphere

Energy Technology Data Exchange (ETDEWEB)

Gepraegs, R; Schmitz, G; Peters, D [Institut fuer Atmosphaerenphysik, Kuehlungsborn (Germany)

1998-12-31

A 2D version of the ECHAM T21 climate model has been developed. The new model includes an efficient spectral transport scheme with implicit diffusion. Furthermore, photodissociation and chemistry of the NCAR 2D model have been incorporated. A self consistent parametrization scheme is used for eddy heat- and momentum flux in the troposphere. It is based on the heat flux parametrization of Branscome and mixing-length formulation for quasi-geostrophic vorticity. Above 150 hPa the mixing-coefficient K{sub yy} is prescribed. Some of the model results are discussed, concerning especially the impact of aircraft NO{sub x} emission on the model chemistry. (author) 6 refs.

A materials informatics approach for crystal chemistry

Science.gov (United States)

Kong, Chang Sun

This thesis addresses one of the fundamental questions in materials crystal chemistry, namely why do atoms arrange themselves in the way they do? The ability to broadly design and predict new phases [i.e. crystal structures] can be partly met using concepts that employ phase homologies. Homologous series of compounds are those that seem chemically diverse but can be expressed in terms of a mathematical formula that is capable of producing each chemical member in that crystal structure. A well-established strategy to help discover new compounds -- or at least to try to develop chemical design strategies for discovery -- is to search, organize and classify homologous compounds from known data. These classification schemes are developed with the hope that they can provide sufficient insight to help us forecast with some certainty, specific new phases or compounds. Yet, while the classification schemes (over a dozen have been reported in the last 50 years) have proved to be instructive, mostly in hindsight, but they have had limited impact, if at all, on the a priori design of materials chemistry. The aim of this research project is to develop a totally new approach to the study of chemical complexity in materials science using the tools of information theory and data science, which link diverse and high dimensional data derived from physical modeling and experiments. A very large scale binary AB2 crystallographic database is used as a data platform to develop a new data mining/informatics protocol based on high dimensional recursive partitioning schemes coupled to information theoretic measures to: (1) Identify which type of structure prototype is preferred over another for a given chemistry of compound; (2) discover new classification schemes of structure/chemistry/property relationships that classical homologies do not detect and finally we; (3) Extract and organize the underlying design rules for the formation of a given structure by quantitatively assessing the

Assessment of two physical parameterization schemes for desert dust emissions in an atmospheric chemistry general circulation model

Science.gov (United States)

Astitha, M.; Abdel Kader, M.; Pozzer, A.; Lelieveld, J.

2012-04-01

Atmospheric particulate matter and more specific desert dust has been the topic of numerous research studies in the past due to the wide range of impacts in the environment and climate and the uncertainty of characterizing and quantifying these impacts in a global scale. In this work we present two physical parameterizations of the desert dust production that have been incorporated in the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). The scope of this work is to assess the impact of the two physical parameterizations in the global distribution of desert dust and highlight the advantages and disadvantages of using either technique. The dust concentration and deposition has been evaluated using the AEROCOM dust dataset for the year 2000 and data from the MODIS and MISR satellites as well as sun-photometer data from the AERONET network was used to compare the modelled aerosol optical depth with observations. The implementation of the two parameterizations and the simulations using relatively high spatial resolution (T106~1.1deg) has highlighted the large spatial heterogeneity of the dust emission sources as well as the importance of the input parameters (soil size and texture, vegetation, surface wind speed). Also, sensitivity simulations with the nudging option using reanalysis data from ECMWF and without nudging have showed remarkable differences for some areas. Both parameterizations have revealed the difficulty of simulating all arid regions with the same assumptions and mechanisms. Depending on the arid region, each emission scheme performs more or less satisfactorily which leads to the necessity of treating each desert differently. Even though this is a quite different task to accomplish in a global model, some recommendations are given and ideas for future improvements.

ALI and DAC for transuranic elements based on the metabolic data presented in ICRP publication 48

OpenAIRE

外川 織彦; 山口 勇吉; 本間 俊充

1987-01-01

最近刊行されたICRPの報告書、ICRP Publication 48にはICRP Publication 30の年摂取限度(ALI)と誘導空気中濃度(DAC)の計算に採用されたデータと比較して、いくつかの超ウラン元素について新しい代謝データが示されている。

A Low-order Coupled Chemistry Meteorology Model for Testing Online and Offline Advanced Data Assimilation Schemes

Science.gov (United States)

Bocquet, M.; Haussaire, J. M.

2015-12-01

Bocquet and Sakov have recently introduced a low-order model based on the coupling of thechaotic Lorenz-95 model which simulates winds along a mid-latitude circle, with thetransport of a tracer species advected by this wind field. It has been used to testadvanced data assimilation methods with an online model that couples meteorology andtracer transport. In the present study, the tracer subsystem of the model is replacedwith a reduced photochemistry module meant to emulate reactive air pollution. Thiscoupled chemistry meteorology model, the L95-GRS model, mimics continental andtranscontinental transport and photochemistry of ozone, volatile organic compounds andnitrogen dioxides.The L95-GRS is specially useful in testing advanced data assimilation schemes, such as theiterative ensemble Kalman smoother (IEnKS) that combines the best of ensemble andvariational methods. The model provides useful insights prior to any implementation ofthe data assimilation method on larger models. For instance, online and offline dataassimilation strategies based on the ensemble Kalman filter or the IEnKS can easily beevaluated with it. It allows to document the impact of species concentration observationson the wind estimation. The model also illustrates a long standing issue in atmosphericchemistry forecasting: the impact of the wind chaotic dynamics and of the chemical speciesnon-chaotic but highly nonlinear dynamics on the selected data assimilation approach.

Laboratory Investigations of Stratospheric Halogen Chemistry

Science.gov (United States)

Wine, Paul H.; Nicovich, J. Michael; Stickel, Robert E.; Hynes, Anthony J.

1997-01-01

A final report for the NASA-supported project on laboratory investigations of stratospheric halogen chemistry is presented. In recent years, this project has focused on three areas of research: (1) kinetic, mechanistic, and thermochemical studies of reactions which produce weakly bound chemical species of atmospheric interest; (2) development of flash photolysis schemes for studying radical-radical reactions of stratospheric interest; and (3) photochemistry studies of interest for understanding stratospheric chemistry. The first section of this paper contains a discussion of work which has not yet been published. All subsequent chapters contain reprints of published papers that acknowledge support from this grant.

System design description for SY-101 hydrogen mitigation test project data acquisition and control system (DACS-1)

International Nuclear Information System (INIS)

Truitt, R.W.; Pounds, T.S.; Smith, S.O.

1994-01-01

This document describes the hardware subsystems of the data acquisition and control system (DACS) used in mitigation tests conducted on waste tank SY-101 at the Hanford Nuclear Reservation. The system was designed and implemented by Los Alamos National Laboratory (LANL) and supplied to Westinghouse Hanford Company (WHC). The mitigation testing uses a pump immersed in the waste tank, directed at certain angles and operated at different speeds and time durations. The SY-101 tank has experienced recurrent periodic gas releases of hydrogen, nitrous oxide, ammonia, and (recently discovered) methane. The hydrogen gas represents a danger, as some of the releases are in amounts above the lower flammability limit (LFL). These large gas releases must be mitigated. Several instruments have been added to the tank to monitor the gas compositions, the tank level, the tank temperature, and other parameters. A mixer pump has been developed to stir the tank waste to cause the gases to be released at a slow rate. It is the function of the DACS to monitor those instruments and to control the mixer pump in a safe manner. During FY93 and FY94 the mixer pump was installed with associated testing operations support equipment and a mitigation test project plan was implemented. These activities successfully demonstrated the mixer pump's ability to mitigate the SY-101 tank hydrogen gas hazard

System Design Description for the SY-101 Hydrogen Mitigation Test Project Data Acquisition and Control System (DACS-1)

Energy Technology Data Exchange (ETDEWEB)

ERMI, A.M.

1999-08-25

This document describes the hardware and software of the computer subsystems for the Data Acquisition and Control System (DACS) used in mitigation tests conducted on waste tank 241-SY-101 at the Hanford Nuclear Reservation, The original system was designed and implemented by LANL, supplied to WHC, and turned over to LMHC for operation. In 1999, the hardware and software were upgraded to provide a state-of-the-art, Year-2000 compliant system.

Deriving a Linearised Ozone Chemistry Scheme for a 3-D Chemical ...

African Journals Online (AJOL)

A simple but computer efficient parameterized ozone chemistry is developed to account for up-dates in reaction rate recommendations, and also completely assess the contributions of the indi-vidual catalytic cycles to the ozone budget in the entire stratosphere. Two conceptual ap-proaches, namely total time approach and ...

Extraordinary Tools for Extraordinary Science: The Impact ofSciDAC on Accelerator Science&Technology

Energy Technology Data Exchange (ETDEWEB)

Ryne, Robert D.

2006-08-10

Particle accelerators are among the most complex and versatile instruments of scientific exploration. They have enabled remarkable scientific discoveries and important technological advances that span all programs within the DOE Office of Science (DOE/SC). The importance of accelerators to the DOE/SC mission is evident from an examination of the DOE document, ''Facilities for the Future of Science: A Twenty-Year Outlook''. Of the 28 facilities listed, 13 involve accelerators. Thanks to SciDAC, a powerful suite of parallel simulation tools has been developed that represent a paradigm shift in computational accelerator science. Simulations that used to take weeks or more now take hours, and simulations that were once thought impossible are now performed routinely. These codes have been applied to many important projects of DOE/SC including existing facilities (the Tevatron complex, the Relativistic Heavy Ion Collider), facilities under construction (the Large Hadron Collider, the Spallation Neutron Source, the Linac Coherent Light Source), and to future facilities (the International Linear Collider, the Rare Isotope Accelerator). The new codes have also been used to explore innovative approaches to charged particle acceleration. These approaches, based on the extremely intense fields that can be present in lasers and plasmas, may one day provide a path to the outermost reaches of the energy frontier. Furthermore, they could lead to compact, high-gradient accelerators that would have huge consequences for US science and technology, industry, and medicine. In this talk I will describe the new accelerator modeling capabilities developed under SciDAC, the essential role of multi-disciplinary collaboration with applied mathematicians, computer scientists, and other IT experts in developing these capabilities, and provide examples of how the codes have been used to support DOE/SC accelerator projects.

SWIFT: Semi-empirical and numerically efficient stratospheric ozone chemistry for global climate models

OpenAIRE

Kreyling, Daniel; Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

2015-01-01

The SWIFT model is a fast yet accurate chemistry scheme for calculating the chemistry of stratospheric ozone. It is mainly intended for use in Global Climate Models (GCMs), Chemistry Climate Models (CCMs) and Earth System Models (ESMs). For computing time reasons these models often do not employ full stratospheric chem- istry modules, but use prescribed ozone instead. This can lead to insufficient representation between stratosphere and troposphere. The SWIFT stratospheric ozone chem...

THE ADVANCED CHEMISTRY BASINS PROJECT

Energy Technology Data Exchange (ETDEWEB)

William Goddard; Peter Meulbroek; Yongchun Tang; Lawrence Cathles III

2004-04-05

In the next decades, oil exploration by majors and independents will increasingly be in remote, inaccessible areas, or in areas where there has been extensive shallow exploration but deeper exploration potential may remain; areas where the collection of data is expensive, difficult, or even impossible, and where the most efficient use of existing data can drive the economics of the target. The ability to read hydrocarbon chemistry in terms of subsurface migration processes by relating it to the evolution of the basin and fluid migration is perhaps the single technological capability that could most improve our ability to explore effectively because it would allow us to use a vast store of existing or easily collected chemical data to determine the major migration pathways in a basin and to determine if there is deep exploration potential. To this end a the DOE funded a joint effort between California Institute of Technology, Cornell University, and GeoGroup Inc. to assemble a representative set of maturity and maturation kinetic models and develop an advanced basin model able to predict the chemistry of hydrocarbons in a basin from this input data. The four year project is now completed and has produced set of public domain maturity indicator and maturation kinetic data set, an oil chemistry and flash calculation tool operable under Excel, and a user friendly, graphically intuitive basin model that uses this data and flash tool, operates on a PC, and simulates hydrocarbon generation and migration and the chemical changes that can occur during migration (such as phase separation and gas washing). The DOE Advanced Chemistry Basin Model includes a number of new methods that represent advances over current technology. The model is built around the concept of handling arbitrarily detailed chemical composition of fluids in a robust finite-element 2-D grid. There are three themes on which the model focuses: chemical kinetic and equilibrium reaction parameters, chemical

Plutonium(IV) hydrous polymer chemistry

International Nuclear Information System (INIS)

Toth, L.M.; Dodson, K.E.

1985-01-01

The hydrous polymer chemistry of Pu(IV) in aqueous nitric acid solutions has been a subject of considerable interest for several years. This interest stems mainly from the fact that most nuclear fuel reprocessing schemes based on the Purex process can be hampered by the occurrence of polymer. As a result, an understanding and control of the parameters that affect polymer formation during reprocessing are studied. 2 refs

Rapid healing of cutaneous leishmaniasis by high-frequency electrocauterization and hydrogel wound care with or without DAC N-055: a randomized controlled phase IIa trial in Kabul.

Directory of Open Access Journals (Sweden)

Ahmad Fawad Jebran

2014-02-01

Full Text Available Anthroponotic cutaneous leishmaniasis (CL due to Leishmania (L. tropica infection is a chronic, frequently disfiguring skin disease with limited therapeutic options. In endemic countries healing of ulcerative lesions is often delayed by bacterial and/or fungal infections. Here, we studied a novel therapeutic concept to prevent superinfections, accelerate wound closure, and improve the cosmetic outcome of ACL.From 2004 to 2008 we performed a two-armed, randomized, double-blinded, phase IIa trial in Kabul, Afghanistan, with patients suffering from L. tropica CL. The skin lesions were treated with bipolar high-frequency electrocauterization (EC followed by daily moist-wound-treatment (MWT with polyacrylate hydrogel with (group I or without (group II pharmaceutical sodium chlorite (DAC N-055. Patients below age 5, with facial lesions, pregnancy, or serious comorbidities were excluded. The primary, photodocumented outcome was the time needed for complete lesion epithelialization. Biopsies for parasitological and (immunohistopathological analyses were taken prior to EC (1(st, after wound closure (2(nd and after 6 months (3(rd. The mean duration for complete wound closure was short and indifferent in group I (59 patients, 43.1 d and II (54 patients, 42 d; p = 0.83. In patients with Leishmania-positive 2(nd biopsies DAC N-055 caused a more rapid wound epithelialization (37.2 d vs. 58.3 d; p = 0.08. Superinfections occurred in both groups at the same rate (8.8%. Except for one patient, reulcerations (10.2% in group I, 18.5% in group II; p = 0.158 were confined to cases with persistent high parasite loads after healing. In vitro, DAC N-055 showed a leishmanicidal effect on pro- and amastigotes.Compared to previous results with intralesional antimony injections, the EC plus MWT protocol led to more rapid wound closure. The tentatively lower rate of relapses and the acceleration of wound closure in a subgroup of patients with parasite persistence warrant

Fusing a Reversed and Informal Learning Scheme and Space: Student Perceptions of Active Learning in Physical Chemistry

Science.gov (United States)

Donnelly, Julie; Hernández, Florencio E.

2018-01-01

Physical chemistry students often have negative perceptions and low expectations for success in physical chemistry, attitudes that likely affect their performance in the course. Despite the results of several studies indicating increased positive perception of physical chemistry when active learning strategies are used, a recent survey of faculty…

A wide bandwidth fractional-N synthesizer for LTE with phase noise cancellation using a hybrid-ΔΣ-DAC and charge re-timing

NARCIS (Netherlands)

Ye, D.; Lu, Ping; Andreani, Pietro; van der Zee, Ronan A.R.

2013-01-01

This paper presents a 1MHz bandwidth, ΔΣ fractional-N PLL as the frequency synthesizer for LTE. A noise cancellation path composed of a novel hybrid ΔΣ DAC with 9 output bits is incorporated into the PLL in order to cancel the out-of-band phase noise caused by the quantization error. Further, a

Preoperative depiction of cavernous sinus invasion by pituitary macroadenomas using three-dimensional anisotropy contrast (3DAC) magnetic resonance axonography on a 3-tesla system

International Nuclear Information System (INIS)

Watanabe, Naoto

2006-01-01

The purpose of this study is to examine whether the cavernous invasion of pituitary macroadenomas can be preoperatively depicted by 3DAC MR images, by comparison of surgical and imaging findings. The depiction is desirable to make the surgical injury of cranial nerves minimal. Subjects are 33 patients (15 males, 18 females; mean age 52.8 y) with macroadenomas who underwent its extraction by endoscopic endonasal transsphenoidal surgery in author's hospital and 25 normal healthy volunteers (12 males, 13 females). Signa-3.0T equipment (General Electric) was used for PROPELLER MR 3DAC and T2 reverse images of coronary cross sections to identify cranial nerves (oculomotor, trochlear, abducent, ophthalmic and maxillary) in the cavernous sinus. Localization of the imaged tumor/nerves in the sinus was statistically analyzed with the endoscopic surgical findings for the invasion. The former obtained here by the high magnetic field imaging was found quite useful for preoperative depiction of the sinus invasion with high sensitivity and specificity. (T.I.)

SciDAC's Earth System Grid Center for Enabling Technologies Semi-Annual Progress Report for the Period October 1, 2009 through March 31, 2010

Energy Technology Data Exchange (ETDEWEB)

Williams, Dean N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Foster, I. T. [Argonne National Lab. (ANL), Argonne, IL (United States); Middleton, D. E. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Ananthakrishnan, R. [Argonne National Lab. (ANL), Argonne, IL (United States); Siebenlist, F. [Argonne National Lab. (ANL), Argonne, IL (United States); Shoshani, A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Sim, A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Bell, G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Drach, R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ahrens, J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Jones, P. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, D. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Chastang, J. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Cinquini, L. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Fox, P. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Harper, D. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Hook, N. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Nienhouse, E. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Strand, G. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); West, P. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Wilcox, H. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Wilhelmi, N. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Zednik, S. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States); Hankin, S. [National Oceanic and Atmospheric Administration (NOAA), Washington, DC (United States); Schweitzer, R. [National Oceanic and Atmospheric Administration (NOAA), Washington, DC (United States); Bernholdt, D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Chen, M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Miller, R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Shipman, G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bharathi, S. [Univ. of Southern California, Marina Del Rey, CA (United States). Information Sciences Institute; Chervenak, A. [Univ. of Southern California, Marina Del Rey, CA (United States). Information Sciences Institute; Schuler, R. [Univ. of Southern California, Marina Del Rey, CA (United States). Information Sciences Institute; Su, M. [Univ. of Southern California, Marina Del Rey, CA (United States). Information Sciences Institute

2010-04-21

This report summarizes work carried out by the ESG-CET during the period October 1, 2009 through March 31, 2009. It includes discussion of highlights, overall progress, period goals, collaborations, papers, and presentations. To learn more about our project, and to find previous reports, please visit the Earth System Grid Center for Enabling Technologies (ESG-CET) website. This report will be forwarded to the DOE SciDAC program management, the Office of Biological and Environmental Research (OBER) program management, national and international collaborators and stakeholders (e.g., the Community Climate System Model (CCSM), the Intergovernmental Panel on Climate Change (IPCC) 5th Assessment Report (AR5), the Climate Science Computational End Station (CCES), the SciDAC II: A Scalable and Extensible Earth System Model for Climate Change Science, the North American Regional Climate Change Assessment Program (NARCCAP), and other wide-ranging climate model evaluation activities).

Interstellar chemistry.

Science.gov (United States)

Klemperer, William

2006-08-15

In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature.

Extraordinary tools for extraordinary science: the impact of SciDAC on accelerator science and technology

International Nuclear Information System (INIS)

Ryne, Robert D

2006-01-01

Particle accelerators are among the most complex and versatile instruments of scientific exploration. They have enabled remarkable scientific discoveries and important technological advances that span all programs within the DOE Office of Science (DOE/SC). The importance of accelerators to the DOE/SC mission is evident from an examination of the DOE document, 'Facilities for the Future of Science: A Twenty-Year Outlook'. Of the 28 facilities listed, 13 involve accelerators. Thanks to SciDAC, a powerful suite of parallel simulation tools has been developed that represent a paradigm shift in computational accelerator science. Simulations that used to take weeks or more now take hours, and simulations that were once thought impossible are now performed routinely. These codes have been applied to many important projects of DOE/SC including existing facilities (the Tevatron complex, the Relativistic Heavy Ion Collider), facilities under construction (the Large Hadron Collider, the Spallation Neutron Source, the Linac Coherent Light Source), and to future facilities (the International Linear Collider, the Rare Isotope Accelerator). The new codes have also been used to explore innovative approaches to charged particle acceleration. These approaches, based on the extremely intense fields that can be present in lasers and plasmas, may one day provide a path to the outermost reaches of the energy frontier. Furthermore, they could lead to compact, high-gradient accelerators that would have huge consequences for US science and technology, industry, and medicine. In this talk I will describe the new accelerator modeling capabilities developed under SciDAC, the essential role of multi-disciplinary collaboration with applied mathematicians, computer scientists, and other IT experts in developing these capabilities, and provide examples of how the codes have been used to support DOE/SC accelerator projects

Extraordinary tools for extraordinary science: the impact of SciDAC on accelerator science and technology

Science.gov (United States)

Ryne, Robert D.

2006-09-01

Particle accelerators are among the most complex and versatile instruments of scientific exploration. They have enabled remarkable scientific discoveries and important technological advances that span all programs within the DOE Office of Science (DOE/SC). The importance of accelerators to the DOE/SC mission is evident from an examination of the DOE document, ''Facilities for the Future of Science: A Twenty-Year Outlook.'' Of the 28 facilities listed, 13 involve accelerators. Thanks to SciDAC, a powerful suite of parallel simulation tools has been developed that represent a paradigm shift in computational accelerator science. Simulations that used to take weeks or more now take hours, and simulations that were once thought impossible are now performed routinely. These codes have been applied to many important projects of DOE/SC including existing facilities (the Tevatron complex, the Relativistic Heavy Ion Collider), facilities under construction (the Large Hadron Collider, the Spallation Neutron Source, the Linac Coherent Light Source), and to future facilities (the International Linear Collider, the Rare Isotope Accelerator). The new codes have also been used to explore innovative approaches to charged particle acceleration. These approaches, based on the extremely intense fields that can be present in lasers and plasmas, may one day provide a path to the outermost reaches of the energy frontier. Furthermore, they could lead to compact, high-gradient accelerators that would have huge consequences for US science and technology, industry, and medicine. In this talk I will describe the new accelerator modeling capabilities developed under SciDAC, the essential role of multi-disciplinary collaboration with applied mathematicians, computer scientists, and other IT experts in developing these capabilities, and provide examples of how the codes have been used to support DOE/SC accelerator projects.

Extraordinary Tools for Extraordinary Science: The Impact of SciDAC on Accelerator Science and Technology

International Nuclear Information System (INIS)

Ryne, Robert D.

2006-01-01

Particle accelerators are among the most complex and versatile instruments of scientific exploration. They have enabled remarkable scientific discoveries and important technological advances that span all programs within the DOE Office of Science (DOE/SC). The importance of accelerators to the DOE/SC mission is evident from an examination of the DOE document, ''Facilities for the Future of Science: A Twenty-Year Outlook''. Of the 28 facilities listed, 13 involve accelerators. Thanks to SciDAC, a powerful suite of parallel simulation tools has been developed that represent a paradigm shift in computational accelerator science. Simulations that used to take weeks or more now take hours, and simulations that were once thought impossible are now performed routinely. These codes have been applied to many important projects of DOE/SC including existing facilities (the Tevatron complex, the Relativistic Heavy Ion Collider), facilities under construction (the Large Hadron Collider, the Spallation Neutron Source, the Linac Coherent Light Source), and to future facilities (the International Linear Collider, the Rare Isotope Accelerator). The new codes have also been used to explore innovative approaches to charged particle acceleration. These approaches, based on the extremely intense fields that can be present in lasers and plasmas, may one day provide a path to the outermost reaches of the energy frontier. Furthermore, they could lead to compact, high-gradient accelerators that would have huge consequences for US science and technology, industry, and medicine. In this talk I will describe the new accelerator modeling capabilities developed under SciDAC, the essential role of multi-disciplinary collaboration with applied mathematicians, computer scientists, and other IT experts in developing these capabilities, and provide examples of how the codes have been used to support DOE/SC accelerator projects

A capacitive DAC with custom 3-D 1-fF MOM unit capacitors optimized for fast-settling routing in high speed SAR ADCs

International Nuclear Information System (INIS)

Chen Chixiao; Xiang Jixuan; Chen Huabin; Xu Jun; Ye Fan; Li Ning; Ren Junyan

2015-01-01

Asynchronous successive approximation register (SAR) analog-to-digital converters (ADC) feature high energy efficiency but medium performance. From the point of view of speed, the key bottleneck is the unit capacitor size. In this paper, a small size three-dimensional (3-D) metal—oxide—metal (MOM) capacitor is proposed. The unit capacitor has a capacitance of 1-fF. It shapes as an umbrella, which is designed for fast settling consideration. A comparison among the proposed capacitor with other 3-D MOM capacitors is also given in the paper. To demonstrate the effectiveness of the MOM capacitor, a 6-b capacitive DAC is implemented in TSMC 1P9M 65 nm LP CMOS technology. The DAC consumes a power dissipation of 0.16 mW at the rate of 100 MS/s, excluding a source-follower based output buffer. Static measurement result shows that INL is less than ±1 LSB and DNL is less than ±0.5 LSB. In addition, a 100 MS/s 9-bit SAR ADC with the proposed 3-D capacitor is simulated. (paper)

Lambda Station: Alternate network path forwarding for production SciDAC applications

International Nuclear Information System (INIS)

Grigoriev, Maxim; Bobyshev, Andrey; Crawford, Matt; DeMar, Phil; Grigaliunas, Vyto; Moibenko, Alexander; Petravick, Don; Newman, Harvey; Steenberg, Conrad; Thomas, Michael

2007-01-01

The LHC era will start very soon, creating immense data volumes capable of demanding allocation of an entire network circuit for task-driven applications. Circuit-based alternate network paths are one solution to meeting the LHC high bandwidth network requirements. The Lambda Station project is aimed at addressing growing requirements for dynamic allocation of alternate network paths. Lambda Station facilitates the rerouting of designated traffic through site LAN infrastructure onto so-called 'high-impact' wide-area networks. The prototype Lambda Station developed with Service Oriented Architecture (SOA) approach in mind will be presented. Lambda Station has been successfully integrated into the production version of the Storage Resource Manager (SRM), and deployed at US CMS Tier1 center at Fermilab, as well as at US-CMS Tier-2 site at Caltech. This paper will discuss experiences using the prototype system with production SciDAC applications for data movement between Fermilab and Caltech. The architecture and design principles of the production version Lambda Station software, currently being implemented as Java based web services, will also be presented in this paper

Coexistence of Cognitive Small Cell and WiFi System: A Traffic Balancing Dual-Access Resource Allocation Scheme

Directory of Open Access Journals (Sweden)

Xiaoge Huang

2018-01-01

Full Text Available We consider a holistic approach for dual-access cognitive small cell (DACS networks, which uses the LTE air interface in both licensed and unlicensed bands. In the licensed band, we consider a sensing-based power allocation scheme to maximize the sum data rate of DACSs by jointly optimizing the cell selection, the sensing operation, and the power allocation under the interference constraint to macrocell users. Due to intercell interference and the integer nature of the cell selection, the resulting optimization problems lead to a nonconvex integer programming. We reformulate the problem to a nonconvex power allocation game and find the relaxed equilibria, quasi-Nash equilibrium. Furthermore, in order to guarantee the fairness of the whole system, we propose a dynamic satisfaction-based dual-band traffic balancing (SDTB algorithm over licensed and unlicensed bands for DACSs which aims at maximizing the overall satisfaction of the system. We obtain the optimal transmission time in the unlicensed band to ensure the proportional fair coexistence with WiFi while guaranteeing the traffic balancing of DACSs. Simulation results demonstrate that the SDTB algorithm could achieve a considerable performance improvement relative to the schemes in literature, while providing a tradeoff between maximizing the total data rate and achieving better fairness among networks.

Microstructure and defect chemistry of yttrium aluminium garnet ceramics

International Nuclear Information System (INIS)

Schuh, L.H.

1989-01-01

This thesis describes basic aspects concerning the defect chemistry and the microstructure of yttrium aluminium garnet ceramics. The work consists of three parts: a literature study, an experimental part and a section giving computer simulation data of defects. (author). 320 refs.; 68 figs.; 72 schemes; 32 tabs

A 12b 2.9GS/s DAC with IM3>60dB beyond 1 GHz in 65nm CMOS

NARCIS (Netherlands)

Lin, C.H.; Goes, F.; Westra, J.; Mulder, J.; Lin, Y.; Arslan, E.; Ayranci, E.; Liu, X.; Bult, K.

2009-01-01

A 12b 2.9GS/s current-steering DAC implemented in 65nm CMOS is presented, with an IM3 «-60dBc beyond 1GHz while driving a 50¿ load with an output swing of 2.5Vpp-diff and dissipating a power of 188mW. The SFDR measured at 2.9GS/s is better than 60dB beyond 340MHz.

Interpolating by a factor of 3 in low-voltage low-power ∑Δ DAC

DEFF Research Database (Denmark)

Pracný, Peter; Jørgensen, Ivan Harald Holger; Bruun, Erik

2014-01-01

This paper presents the power optimization of a sigma-delta (RD) modulator based digital-to-analog converter (DAC) for hearing aid audio back-end application. In a number of state-of-the-art publications the oversampling ratio (OSR) of the RD modulator is chosen as a factor of integer power of two...... by a factor of 3 are investigated. This new design freedom is used to lower the operating frequency of the whole back-end and save considerable amount of power. It is shown that the figure of- merit of such designs can be lower than designs using oversampling by a factor of integer powers of two. The same...... optimization approach can be used for other low voltage low power portable audio applications (mobile phones, notebook computers etc.)....

Parameterization of dust emissions in the global atmospheric chemistry-climate model EMAC: impact of nudging and soil properties

OpenAIRE

Astitha, M.; Lelieveld, J.; Kader, M. Abdel; Pozzer, A.; de Meij, A.

2012-01-01

Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). One uses a global...

Deterministic Assisted Clone of an Arbitrary Two- and Three-qubit States via Multi-qubit Brown State

Science.gov (United States)

Hou, Kui; Zhu, Cheng-Jie; Yang, Ya-Ping

2017-08-01

We present two schemes for deterministic assisted clone(DAC) of an unknown two- and three-qubit entangled states with assistance via muti-qubit Brown state. In the schemes, the sender wish to teleport an unknown original entangled state which from the state preparer, and then create a perfect copy of the unknown state at her place. The DAC schemes include two stages. The first stage requires teleportation with Bell-state measurements via a five-qubit Brown state(or seven-qubit Brown state) as the quantum channel. In the second stage, to help the sender realize the quantum cloning, the state preparer performs projective measurements on their own particles which from the sender, then the sender can acquire a perfect copy of the unknown state by means of some appropriate unitary operations. Furthermore, the total success probability for assisted cloning a perfect copy of the unknown state can reach 1 in our schemes.

VISUAL ARTS AS THE FIELD OF KNOWLEDGE IN ARTE NA ESCOLA - DAC / UFSC PROJECT

Directory of Open Access Journals (Sweden)

Richard Perassi Luiz de Sousa

2011-07-01

Full Text Available This paper presents and justifies the content worked in the extension course "The Visual Arts as a field of knowledge," which was sponsored by the Departamento Artístico Cultural – DAC/ UFSC, within the project "Arte na Escola". The course was directed at teachers of Art and also received other stakeholders in the study of Visual Arts, focusing on contemporary art. Art is justified as a field of knowledge in that, throughout its history, many have been developed knowledge, technologies and expertise applied to the development of artistic activities. In addition, each work of art represents a unique and innovative testimony of their time and offers a new set of knowledge, which broadens the cultural heritage of humanity. Finally, knowledge and artistic products are also applied in developing other areas of knowledge.

The extrapolar SWIFT-model: Fast stratospheric ozone chemistry for global climate models

OpenAIRE

Kreyling, Daniel

2016-01-01

The goal of this PhD-thesis was the development of a fast yet accurate chemistry scheme for an interactive calculation of the extrapolar stratospheric ozone layer. The SWIFT-model is mainly intended for use in Global Climate Models (GCMs). For computing-time reasons GCMs often do not employ full stratospheric chemistry modules, but use prescribed ozone instead. This method does not consider the interaction between atmospheric dynamics and the ozone layer and can neither resolve the inter-annu...

An IP-oriented 11-bit 160 MS/s 2-channel current-steering DAC

International Nuclear Information System (INIS)

Xu Ning; Li Fule; Zhang Chun; Wang Zhihua

2014-01-01

This paper presents an 11-bit 160 MS/s 2-channel current-steering digital-to-analog converter (DAC) IP. The circuit and layout are carefully designed to optimize its performance and area. A 6-2-3 segmented structure is used for the trade-off among linearity, area and layout complexity. The sizes of current source transistors are calculated out according to the process matching parameter. The unary current cells are placed in a one-dimension distribution to simplify the layout routing, spare area and wiring layer. Their sequences are also carefully designed to reduce integral nonlinearity. The test result presents an SFDR of 72 dBc at 4.88 MHz input signal with DNL ⩽ 0.25 LSB, INL ⩽ 0.8 LSB. The full-scale output current is 5 mA with a 2.5 V analog power supply. The core of each channel occupies 0.08 mm 2 in a 1P-8M 55 nm CMOS process. (semiconductor integrated circuits)

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

High pressure chemistry of red phosphorus by photoactivated simple molecules

Science.gov (United States)

Ceppatelli, Matteo; Bini, Roberto; Fanetti, Samuele; Caporali, Maria; Peruzzini, Maurizio

2013-06-01

High pressure (HP) is very effective in reducing intermolecular distances and inducing unexpected chemical reactions. In particular the photoactivation of the reactants in HP conditions can lead to very efficient and selective processes. The chemistry of phosphorus is currently based on the white molecular form. The red polymeric allotrope, despite more stable and much less toxic, has not attracted much attention so far. However, switching from the white to the red form would benefit any industrial procedure, especially from an environmental point of view. On the other side, water and ethanol are renewable, environmental friendly and largely available molecules, usable as reactants and photoactivators in HP conditions. Here we report a study on the HP photoinduced reactivity of red phosphorus with water and ethanol, showing the possibility of very efficient and selective processes, leading to molecular hydrogen and valuable phosphorus compounds. The reactions have been studied by means of FTIR and Raman spectroscopy and pressure has been generated using DAC and SAC. HP reactivity has been activated by the two-photon absorption of near-UV wavelengths and occured in total absence of solvents, catalysts and radical initiators, at room T and mild pressure conditions (0.2-1.5 GPa).

Computer system design description for SY-101 hydrogen mitigation test project data acquisition and control system (DACS-1). Revision 1

International Nuclear Information System (INIS)

Truitt, R.W.

1994-01-01

This document provides descriptions of components and tasks that are involved in the computer system for the data acquisition and control of the mitigation tests conducted on waste tank SY-101 at the Hanford Nuclear Reservation. The system was designed and implemented by Los alamos National Laboratory and supplied to Westinghouse Hanford Company. The computers (both personal computers and specialized data-taking computers) and the software programs of the system will hereafter collectively be referred to as the DACS (Data Acquisition and Control System)

A Data Analysis Center for Electromagnetic and Hadronic Interaction. Products of the DAC members

Energy Technology Data Exchange (ETDEWEB)

Briscoe, William John [George Washington Univ., Washington, DC (United States); Strakovsky, Igor I. [George Washington Univ., Washington, DC (United States); Workman, Ronald L. [George Washington Univ., Washington, DC (United States)

2015-08-31

The Data Analysis Center (DAC) of the Center for Nuclear Studies (CNS) at the George Washington University (GW) has made significant progress in its program to enhance and expand the partial-wave (and multipole) analyses of fundamental two- and three-body reactions (such as pion-nucleon, photon-nucleon, and nucleon-nucleon scattering) by maintaining and augmenting the analysis codes and databases associated with these reactions. These efforts provide guidance to experimental groups at the international level, forming an important link between theory and experiment. A renaissance in light hadron spectroscopy is underway as a continuous stream of polarization data issues from existing precision electromagnetic facilities and the coming Jefferson Lab 12 GeV Upgrade. Our principal goals have been focused on supporting the national N* resonance physics program. We have also continued to study topics more generally related to the problems associated with partial-wave analysis. On the Experimental side of the CNS DAC. Its primary goal is the enhancement of the body of data necessary for our analyses of fundamental γ - N reactions. We perform experiments that study the dynamics responsible for the internal structure of the nucleon and its excitations. Our principal focus is on the N* programs at JLab and MAMI. At JLab we study spin-polarization observables using polarized photons, protons and neutrons and yielding charged final states. Similarly at MAMI we study neutral meson photoproduction off polarized protons and neutrons. We use the Crystal Ball and TAPS spectrometers (CBT) to detect photons and neutrons to measure the photoproduction of π0, η, 2π0, π0η, and K0 off the neutron. The CBT program complements our program at JLab, which studies reactions resulting in charged final states. We are also involved in a renewed effort to make neutral pion photoproduction measurements close to threshold at Mainz. In addition to the programs underway, we are contributing to

Ada Compiler Validation Summary Report: Certificate Number: 940325S1. 11341 DDC-I, DACS Sun SPARC/SunOS to 80186 Bare Ada Cross Compiler System, Version 4.6.4 Sun SPARCstation IPX = Intel iSBC 186/100 (Bare Machine)

Science.gov (United States)

1994-03-25

declarations requiring more digits than SYSTEM.MAXDIGITS: C24113L..Y (14 tests) C35705L..Y (14 tests) C35706L..Y (14 tests) C35707L..Y (14 tests) 2-1...before the DACS Run-Time System (RMs) libary normally searches for na-4ime routin;, in this way one can replace the standard DACS RTS routines with...SHORTINTEGER is range -128 .. 127; type INTEGER is range -32_768 .. 32_767; type LONGINTEGER is range -2147_483_648 .. 2_147_483_647; type FLOAT is digits 6

System-Level Optimization of a DAC for Hearing-Aid Audio Class D Output Stage

DEFF Research Database (Denmark)

Pracný, Peter; Jørgensen, Ivan Harald Holger; Bruun, Erik

2013-01-01

This paper deals with system-level optimization of a digital-to-analog converter (DAC) for hearing-aid audio Class D output stage. We discuss the ΣΔ modulator system-level design parameters – the order, the oversampling ratio (OSR) and the number of bits in the quantizer. We show that combining...... by comparing two ΣΔ modulator designs. The proposed optimization has impact on the whole hearing-aid audio back-end system including less hardware in the interpolation filter and half the switching rate in the digital-pulse-width-modulation (DPWM) block and Class D output stage...... a reduction of the OSR with an increase of the order results in considerable power savings while the audio quality is kept. For further savings in the ΣΔ modulator, overdesign and subsequent coarse coefficient quantization are used. A figure of merit (FOM) is introduced to confirm this optimization approach...

Additive operator-difference schemes splitting schemes

CERN Document Server

Vabishchevich, Petr N

2013-01-01

Applied mathematical modeling isconcerned with solving unsteady problems. This bookshows how toconstruct additive difference schemes to solve approximately unsteady multi-dimensional problems for PDEs. Two classes of schemes are highlighted: methods of splitting with respect to spatial variables (alternating direction methods) and schemes of splitting into physical processes. Also regionally additive schemes (domain decomposition methods)and unconditionally stable additive schemes of multi-component splitting are considered for evolutionary equations of first and second order as well as for sy

On air-chemistry reduction for hypersonic external flow applications

International Nuclear Information System (INIS)

Ibrahim, Ashraf; Suman, Sawan; Girimaji, Sharath S.

2015-01-01

Highlights: • The existence of the slow manifold for the air-mixture system is shown. • The QSSA estimate of the slow manifold is fairly accurate. • For mid-temperature range the reduction mechanisms could be useful. - Abstract: In external hypersonic flows, viscous and compressibility effects generate very high temperatures leading to significant chemical reactions among air constituents. Therefore, hypersonic flow computations require coupled calculations of flow and chemistry. Accurate and efficient computations of air-chemistry kinetics are of much importance for many practical applications but calculations accounting for detailed chemical kinetics can be prohibitively expensive. In this paper, we investigate the possibility of applying chemical kinetics reduction schemes for hypersonic air-chemistry. We consider two chemical kinetics sets appropriate for three different temperature ranges: 2500 K to 4500 K; 4500 K to 9000 K; and above 9000 K. By demonstrating the existence of the so-called the slow manifold in each of the chemistry sets, we show that judicious chemical kinetics reduction leading to significant computational savings is possible without much loss in accuracy

Using WRF-Chem to investigate the impact of night time nitrate radical chemistry and N2O5 heterogeneous chemistry on the chemical composition of the UK troposphere.

Science.gov (United States)

Archer-Nicholls, S.; Lowe, D.; Utembe, S.; McFiggans, G.

2012-04-01

It is believed that NO3 is the primary oxidant at night time, significantly impacting ozone formation, rain acidification and the formation and transformation of aerosols, particularly through the formation of the ammonium nitrate particulate (Allan et. al., 2000). However, many of the basic chemical processes controlling the formation and removal of NO3, in particular, the N2O5 heterogeneous reactions, are often not represented in models, although general parameterisations have been developed (c.f. Bertram & Thornton, 2009). The ROle of Night time chemistry in controlling the Oxidising Capacity of the atmOsphere (RONOCO) campaign is a project being funded by NERC and being carried out by a collaboration of UK Universities. It aims to better understand the role of the NO3 radical on the chemistry of the night time atmosphere, its oxidation capacity and thus its overall effects on the composition of the troposphere. The Weather Research and Forecasting model with Chemistry (WRF-Chem) is a state of the art regional climate model with fully coupled online air quality and meteorological components allowing for better resolution of aerosol and gas-phase chemistry (Grell et. al., 2005). It has been extended to include the Common Representative Intermediates scheme (CRIv2-R5) (Watson et. al., 2008), a reduced chemical scheme designed to simulate the atmospheric degradation of 220 species of hydrocarbons and VOCs. The MOSAIC aerosol scheme (Zaveri et. al., 2008), has been extended to include a reduced complexity condensed organic phase consisting of 13 semi-volatile and 2 involatile species (Topping et. al., 2012), as well as the N2O5 heterogeneous reaction scheme of Bertram & Thornton (2009). We aim to use WRF-Chem to compare the oxidation capacity of nighttime NO3 chemistry with that of daytime OH chemistry. The model was run using two nested grids: a 15km resolution domain over western Europe, containing a 5km resolution domain over the UK. The RONOCO campaign consisted

Perry's Scheme of Intellectual and Epistemological Development as a Framework for Describing Student Difficulties in Learning Organic Chemistry

Science.gov (United States)

Grove, Nathaniel P.; Bretz, Stacey Lowery

2010-01-01

We have investigated student difficulties with the learning of organic chemistry. Using Perry's Model of Intellectual Development as a framework revealed that organic chemistry students who function as dualistic thinkers struggle with the complexity of the subject matter. Understanding substitution/elimination reactions and multi-step syntheses is…

Primary water chemistry control at units of Paks Nuclear Power Plant

International Nuclear Information System (INIS)

Schunk, J.; Patek, G.; Pinter, T.; Tilky, P.; Doma, A.; Osz, J.

2010-01-01

The primary water chemistry of the four identical units of Paks Nuclear Power Plant has been developed based on Western-type PWR units, taking into consideration some Soviet-Russian modifications. The political changes in 90s have also influenced the water chemistry specifications and directions. At PWR units the transition operational modes have been developed while in case of VVER units - in lack of central uniform regulation - this question has become the competence and responsibility of each individual plant. This problem has resulted in separate water chemistry developments with a considerable time delay. The needs for life-time extensions all over the World have made the development of start-up and shut-down chemistry procedures extremely important, since they considerably influence the long term and safe operation of plants. The uniformly structured limit value system, the principles applied for the system development, and the logic schemes for actions to be taken are discussed in the paper, both for normal operation and transition modes. (author)

Primary Water Chemistry Control at Units of Paks Nuclear Power Plant

Energy Technology Data Exchange (ETDEWEB)

Schunk, J.; Pinter, G. Patek T.; Tilky, P.; Doma, A. [Paks Nuclear Power Plant Co. Ltd., Paks (Hungary); Osz, J. [Budapest University of Technology and Economics, Budapest (Hungary)

2013-03-15

The primary water chemistry of the four identical units of Paks Nuclear Power Plant has been developed based on Western type PWR units, taking into consideration some Russian modifications. The political changes in the 1990s have also influenced the water chemistry specifications and directions. At PWR units the transition operational modes have been developed while in case of WWER units - in lack of central uniform regulation - this question has become the competence and responsibility of each individual plant. This problem has resulted in separate water chemistry developments with a considerable time delay. The need for lifetime extensions worldwide has made the development of startup and shutdown chemistry procedures extremely important, since they considerably influence the long term and safe operation of plants. The uniformly structured limit value system, the principles applied for the system development, and the logic schemes for actions to be taken are discussed in the paper, both for normal operation and transition modes. (author)

DOE's SciDAC Visualization and Analytics Center for EnablingTechnologies -- Strategy for Petascale Visual Data Analysis Success

Energy Technology Data Exchange (ETDEWEB)

Bethel, E Wes; Johnson, Chris; Aragon, Cecilia; Rubel, Oliver; Weber, Gunther; Pascucci, Valerio; Childs, Hank; Bremer, Peer-Timo; Whitlock, Brad; Ahern, Sean; Meredith, Jeremey; Ostrouchov, George; Joy, Ken; Hamann, Bernd; Garth, Christoph; Cole, Martin; Hansen, Charles; Parker, Steven; Sanderson, Allen; Silva, Claudio; Tricoche, Xavier

2007-10-01

The focus of this article is on how one group of researchersthe DOE SciDAC Visualization and Analytics Center for EnablingTechnologies (VACET) is tackling the daunting task of enabling knowledgediscovery through visualization and analytics on some of the world slargest and most complex datasets and on some of the world's largestcomputational platforms. As a Center for Enabling Technology, VACET smission is the creation of usable, production-quality visualization andknowledge discovery software infrastructure that runs on large, parallelcomputer systems at DOE's Open Computing facilities and that providessolutions to challenging visual data exploration and knowledge discoveryneeds of modern science, particularly the DOE sciencecommunity.

The chemistry-climate model ECHAM6.3-HAM2.3-MOZ1.0

Science.gov (United States)

Schultz, Martin G.; Stadtler, Scarlet; Schröder, Sabine; Taraborrelli, Domenico; Franco, Bruno; Krefting, Jonathan; Henrot, Alexandra; Ferrachat, Sylvaine; Lohmann, Ulrike; Neubauer, David; Siegenthaler-Le Drian, Colombe; Wahl, Sebastian; Kokkola, Harri; Kühn, Thomas; Rast, Sebastian; Schmidt, Hauke; Stier, Philip; Kinnison, Doug; Tyndall, Geoffrey S.; Orlando, John J.; Wespes, Catherine

2018-05-01

The chemistry-climate model ECHAM-HAMMOZ contains a detailed representation of tropospheric and stratospheric reactive chemistry and state-of-the-art parameterizations of aerosols using either a modal scheme (M7) or a bin scheme (SALSA). This article describes and evaluates the model version ECHAM6.3-HAM2.3-MOZ1.0 with a focus on the tropospheric gas-phase chemistry. A 10-year model simulation was performed to test the stability of the model and provide data for its evaluation. The comparison to observations concentrates on the year 2008 and includes total column observations of ozone and CO from IASI and OMI, Aura MLS observations of temperature, HNO3, ClO, and O3 for the evaluation of polar stratospheric processes, an ozonesonde climatology, surface ozone observations from the TOAR database, and surface CO data from the Global Atmosphere Watch network. Global budgets of ozone, OH, NOx, aerosols, clouds, and radiation are analyzed and compared to the literature. ECHAM-HAMMOZ performs well in many aspects. However, in the base simulation, lightning NOx emissions are very low, and the impact of the heterogeneous reaction of HNO3 on dust and sea salt aerosol is too strong. Sensitivity simulations with increased lightning NOx or modified heterogeneous chemistry deteriorate the comparison with observations and yield excessively large ozone budget terms and too much OH. We hypothesize that this is an impact of potential issues with tropical convection in the ECHAM model.

A detailed analysis of inviscid flux splitting algorithms for real gases with equilibrium or finite-rate chemistry

Science.gov (United States)

Shuen, Jian-Shun; Liou, Meng-Sing; Van Leer, Bram

1989-01-01

The extension of the known flux-vector and flux-difference splittings to real gases via rigorous mathematical procedures is demonstrated. Formulations of both equilibrium and finite-rate chemistry for real-gas flows are described, with emphasis on derivations of finite-rate chemistry. Split-flux formulas from other authors are examined. A second-order upwind-based TVD scheme is adopted to eliminate oscillations and to obtain a sharp representation of discontinuities.

Nitration of Phenols Using Cu(NO[subscript 3])[subscript 2]: Green Chemistry Laboratory Experiment

Science.gov (United States)

Yadav, Urvashi; Mande, Hemant; Ghalsasi, Prasanna

2012-01-01

An easy-to-complete, microwave-assisted, green chemistry, electrophilic nitration method for phenol using Cu(NO[subscript 3])[subscript 2] in acetic acid is discussed. With this experiment, students clearly understand the mechanism underlying the nitration reaction in one laboratory session. (Contains 4 schemes.)

Setting a Standard for Chemistry Education in the Next Generation: A Retrosynthetic Analysis

Science.gov (United States)

2016-01-01

A diverse and highly qualified chemistry teaching workforce is critical for preparing equally diverse, qualified STEM professionals. Here, we analyze National Center for Education Statistics (NCES) Schools and Staffing Survey (SASS) data to provide a demographic comparison of the U.S. secondary chemistry teaching population in high-needs and non-high-needs public schools as well as private schools during the 2011–2012 academic year. Our analysis reveals that the chemistry teaching workforce is predominantly white and significantly lacks in-field degrees or certification across school types, though high-needs and private schools are most affected by this lack of teacher qualification. Given these results, we attempt to retrosynthetically identify the pathway yielding a qualified chemistry teaching workforce to draw attention to the various steps in this scheme where reform efforts on the part of individual faculty, academic institutions, and organizations can be concentrated. PMID:27924311

Astronomical chemistry.

Science.gov (United States)

Klemperer, William

2011-01-01

The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

High pressure chemistry of red phosphorus by photo-activated simple molecules

Science.gov (United States)

Ceppatelli, M.; Fanetti, S.; Bini, R.; Caporali, M.; Peruzzini, M.

2014-05-01

High pressure (HP) is very effective in reducing intermolecular distances and inducing unexpected chemical reactions. In addition the photo-activation of the reactants in HP conditions can lead to very efficient and selective processes. The chemistry of phosphorus is currently based on the white molecular form. The red polymeric allotrope, despite more stable and much less toxic, has not attracted much attention so far. However, switching from the white to the red form would benefit any industrial procedure, especially from an environmental point of view. On the other side, water and ethanol are renewable, environmental friendly and largely available molecules, usable as reactants and photo-activators in HP conditions. Here we report a study on the HP photo-induced reactivity of red phosphorus with water and ethanol, showing the possibility of very efficient and selective processes, leading to molecular hydrogen and valuable phosphorus compounds. The reactions have been studied by means of FTIR and Raman spectroscopy and pressure has been generated using membrane Diamond (DAC) and Sapphire (SAC) anvil cells. HP reactivity has been activated by the two-photon absorption of near-UV wavelengths and occurred in total absence of solvents, catalysts and radical initiators, at room T and mild pressure conditions (0.2-1.5 GPa).

High pressure chemistry of red phosphorus by photo-activated simple molecules

International Nuclear Information System (INIS)

Ceppatelli, M; Bini, R; Caporali, M; Peruzzini, M; Fanetti, S

2014-01-01

High pressure (HP) is very effective in reducing intermolecular distances and inducing unexpected chemical reactions. In addition the photo-activation of the reactants in HP conditions can lead to very efficient and selective processes. The chemistry of phosphorus is currently based on the white molecular form. The red polymeric allotrope, despite more stable and much less toxic, has not attracted much attention so far. However, switching from the white to the red form would benefit any industrial procedure, especially from an environmental point of view. On the other side, water and ethanol are renewable, environmental friendly and largely available molecules, usable as reactants and photo-activators in HP conditions. Here we report a study on the HP photo-induced reactivity of red phosphorus with water and ethanol, showing the possibility of very efficient and selective processes, leading to molecular hydrogen and valuable phosphorus compounds. The reactions have been studied by means of FTIR and Raman spectroscopy and pressure has been generated using membrane Diamond (DAC) and Sapphire (SAC) anvil cells. HP reactivity has been activated by the two-photon absorption of near-UV wavelengths and occurred in total absence of solvents, catalysts and radical initiators, at room T and mild pressure conditions (0.2–1.5 GPa).

Medium pressure boiler water chemistry optimization using neutralizing amines mixture reagent AMINAT™ PK-2 at CEPP “Borovichi Refractories Plant” of JSC “BKO”

Science.gov (United States)

Guseva, O. V.; Butakova, M. V.; Orlov, K. A.; Vinogradov, S. V.; Pavlenko, L. S.

2017-11-01

An overview of the neutralizing amine based reagent AMINAT PK-2 usage for water chemistry of steam boilers for medium pressure boiler was given. Long term experiment showed that new reagent allows to decrease corrosion rate comparing with old water chemistry based on ammonia only. Two dosage schemes in different cycle places discussed. Scheme with two points on injection showed better results. Results of corrosion rates experiments and photos of tubes inner surfaces are presented. Based on fuel savings due to reducing scale formation the total annual economy for last year was 5.1 million Russian roubles.

Meaningful Understanding and Systems Thinking in Organic Chemistry: Validating Measurement and Exploring Relationships

Science.gov (United States)

Vachliotis, Theodoros; Salta, Katerina; Tzougraki, Chryssa

2014-01-01

The purpose of this study was dual: First, to develop and validate assessment schemes for assessing 11th grade students' meaningful understanding of organic chemistry concepts, as well as their systems thinking skills in the domain. Second, to explore the relationship between the two constructs of interest based on students' performance…

Collaboration and critical thinking in an online chemistry environment

Science.gov (United States)

Kershisnik, Elizabeth Irene

The purpose of this dissertation was to examine collaboration and student's critical thinking and cognitive achievement within online chemistry courses. This quantitative study focused on the apparent lack of research relating collaboration and critical thinking in online science courses. Collaboration was determined using the small group collaboration model coding scheme, which examined student postings in asynchronous discussion forums for quantity, equality, and shareness. Critical thinking was measured using the chemistry concept reasoning test, the online self-diagnostic test, and also asynchronous student homework discussion postings that were coded using the community of inquiry cognitive presence indicators. Finally cognitive achievement was determined using quiz scores and the student's final grade. Even though no significant findings were revealed in this exploratory quasi-experimental study, this research did add to the educational technology knowledge base since very few studies have investigated the chemistry discipline in an online environment. Continued research in this area is vital to understanding how critical thinking progresses, how it can be assessed, and what factors in the classroom, be it virtual or face-to-face, have the greatest effect on critical thinking.

DACS II - A distributed thermal/mechanical loads data acquisition and control system

Science.gov (United States)

Zamanzadeh, Behzad; Trover, William F.; Anderson, Karl F.

1987-01-01

A distributed data acquisition and control system has been developed for the NASA Flight Loads Research Facility. The DACS II system is composed of seven computer systems and four array processors configured as a main computer system, three satellite computer systems, and 13 analog input/output systems interconnected through three independent data networks. Up to three independent heating and loading tests can be run concurrently on different test articles or the entire system can be used on a single large test such as a full scale hypersonic aircraft. Thermal tests can include up to 512 independent adaptive closed loop control channels. The control system can apply up to 20 MW of heating to a test specimen while simultaneously applying independent mechanical loads. Each thermal control loop is capable of heating a structure at rates of up to 150 F per second over a temperature range of -300 to +2500 F. Up to 64 independent mechanical load profiles can be commanded along with thermal control. Up to 1280 analog inputs monitor temperature, load, displacement and strain on the test specimens with real time data displayed on up to 15 terminals as color plots and tabular data displays. System setup and operation is accomplished with interactive menu-driver displays with extensive facilities to assist the users in all phases of system operation.

On Converting Secret Sharing Scheme to Visual Secret Sharing Scheme

Directory of Open Access Journals (Sweden)

Wang Daoshun

2010-01-01

Full Text Available Abstract Traditional Secret Sharing (SS schemes reconstruct secret exactly the same as the original one but involve complex computation. Visual Secret Sharing (VSS schemes decode the secret without computation, but each share is m times as big as the original and the quality of the reconstructed secret image is reduced. Probabilistic visual secret sharing (Prob.VSS schemes for a binary image use only one subpixel to share the secret image; however the probability of white pixels in a white area is higher than that in a black area in the reconstructed secret image. SS schemes, VSS schemes, and Prob. VSS schemes have various construction methods and advantages. This paper first presents an approach to convert (transform a -SS scheme to a -VSS scheme for greyscale images. The generation of the shadow images (shares is based on Boolean XOR operation. The secret image can be reconstructed directly by performing Boolean OR operation, as in most conventional VSS schemes. Its pixel expansion is significantly smaller than that of VSS schemes. The quality of the reconstructed images, measured by average contrast, is the same as VSS schemes. Then a novel matrix-concatenation approach is used to extend the greyscale -SS scheme to a more general case of greyscale -VSS scheme.

Computational Exploration of Molecular Scaffolds in Medicinal Chemistry.

Science.gov (United States)

Hu, Ye; Stumpfe, Dagmar; Bajorath, Jürgen

2016-05-12

The scaffold concept is widely applied in medicinal chemistry. Scaffolds are mostly used to represent core structures of bioactive compounds. Although the scaffold concept has limitations and is often viewed differently from a chemical and computational perspective, it has provided a basis for systematic investigations of molecular cores and building blocks, going far beyond the consideration of individual compound series. Over the past 2 decades, alternative scaffold definitions and organization schemes have been introduced and scaffolds have been studied in a variety of ways and increasingly on a large scale. Major applications of the scaffold concept include the generation of molecular hierarchies, structural classification, association of scaffolds with biological activities, and activity prediction. This contribution discusses computational approaches for scaffold generation and analysis, with emphasis on recent developments impacting medicinal chemistry. A variety of scaffold-based studies are discussed, and a perspective on scaffold methods is provided.

THEORY AND PRACTICE IN THE WORKSHOP OF EXPRESSION VISUAL-GRAPHICS FOR MULTIPLIERS - DAC / UFSC.

Directory of Open Access Journals (Sweden)

Richard Perassi Sousa

2010-12-01

Full Text Available This paper presents theoretical reasons and procedures that structure the practices of free artistic expression in working with adolescents and adults. The goal is to identify and justify the theory, pedagogical methods and the practical activities developed with the multipliers for the release of graphic and plastic expression, as an exercise in personal expression within a social context. The method adopted provides a theoretical justification and development activities of artistic expression-visual graph, as a field of significant interaction between subject and his inner universe. These activities are motivated by the need for expression, which is inherent in human beings, requiring the participants' ministrator and planning and organization. Therefore, beyond the scope of self-expressive, the proposed activities serve as the organizing principle subject to significant social and working life. Here are the relevant issues included the theoretical and practical theories "Free Expression" and "Education through Art." The procedures described here were developed with teachers, artists and other participants of "Workshop of expression visual-graphics for multipliers" held at the Departamento de Arte e Cultura (DAC / UFSC within the Project Arte na Escola in the years 2008 and 2009.

Parameterization of dust emissions in the global atmospheric chemistry-climate model EMAC: impact of nudging and soil properties

Science.gov (United States)

Astitha, M.; Lelieveld, J.; Abdel Kader, M.; Pozzer, A.; de Meij, A.

2012-11-01

Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry). One uses a globally uniform soil particle size distribution, whereas the other explicitly accounts for different soil textures worldwide. We have tested these two versions and investigated the sensitivity to input parameters, using remote sensing data from the Aerosol Robotic Network (AERONET) and dust concentrations and deposition measurements from the AeroCom dust benchmark database (and others). The two versions are shown to produce similar atmospheric dust loads in the N-African region, while they deviate in the Asian, Middle Eastern and S-American regions. The dust outflow from Africa over the Atlantic Ocean is accurately simulated by both schemes, in magnitude, location and seasonality. Approximately 70% of the modelled annual deposition data and 70-75% of the modelled monthly aerosol optical depth (AOD) in the Atlantic Ocean stations lay in the range 0.5 to 2 times the observations for all simulations. The two versions have similar performance, even though the total annual source differs by ~50%, which underscores the importance of transport and deposition processes (being the same for both versions). Even though the explicit soil particle size distribution is considered more realistic, the simpler scheme appears to perform better in several locations. This paper discusses the differences between the two versions of the dust emission scheme, focusing on their limitations and strengths in describing the global dust cycle and suggests possible future improvements.

Parameterization of dust emissions in the global atmospheric chemistry-climate model EMAC: impact of nudging and soil properties

Directory of Open Access Journals (Sweden)

M. Astitha

2012-11-01

Full Text Available Airborne desert dust influences radiative transfer, atmospheric chemistry and dynamics, as well as nutrient transport and deposition. It directly and indirectly affects climate on regional and global scales. Two versions of a parameterization scheme to compute desert dust emissions are incorporated into the atmospheric chemistry general circulation model EMAC (ECHAM5/MESSy2.41 Atmospheric Chemistry. One uses a globally uniform soil particle size distribution, whereas the other explicitly accounts for different soil textures worldwide. We have tested these two versions and investigated the sensitivity to input parameters, using remote sensing data from the Aerosol Robotic Network (AERONET and dust concentrations and deposition measurements from the AeroCom dust benchmark database (and others. The two versions are shown to produce similar atmospheric dust loads in the N-African region, while they deviate in the Asian, Middle Eastern and S-American regions. The dust outflow from Africa over the Atlantic Ocean is accurately simulated by both schemes, in magnitude, location and seasonality. Approximately 70% of the modelled annual deposition data and 70–75% of the modelled monthly aerosol optical depth (AOD in the Atlantic Ocean stations lay in the range 0.5 to 2 times the observations for all simulations. The two versions have similar performance, even though the total annual source differs by ~50%, which underscores the importance of transport and deposition processes (being the same for both versions. Even though the explicit soil particle size distribution is considered more realistic, the simpler scheme appears to perform better in several locations. This paper discusses the differences between the two versions of the dust emission scheme, focusing on their limitations and strengths in describing the global dust cycle and suggests possible future improvements.

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.)

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.

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

-conjugation strategy, we designed a straightforward scheme to synthesize a suite of dialdehyde reagents. The dialdehyde molecules were used for applications in cell-surface engineering and for tailoring surfaces for material science applications. We anticipate the broad utility of the general dialdehyde click chemistry to primary amines in all areas of chemical research, ranging from polymers and bioconjugation to material science and nanoscience.

The Cyclohexanol Cycle and Synthesis of Nylon 6,6: Green Chemistry in the Undergraduate Organic Laboratory

Science.gov (United States)

Dintzner, Matthew R.; Kinzie, Charles R.; Pulkrabek, Kimberly; Arena, Anthony F.

2012-01-01

A one-term synthesis project that incorporates many of the principles of green chemistry is presented for the undergraduate organic laboratory. In this multistep scheme of reactions, students react, recycle, and ultimately convert cyclohexanol to nylon 6,6. The individual reactions in the project employ environmentally friendly methodologies, and…

General scheme for elucidating the structure of organic compounds using spectroscopic and spectrometric methods

International Nuclear Information System (INIS)

Ribeiro, Carlos Magno R.; Souza, Nelson Angelo de

2007-01-01

This work describes a systematic method to be applied in undergraduate courses of organic chemistry, correlating infrared spectra, hydrogen and carbon-13 nuclear magnetic resonance, and mass spectra. To this end, a scheme and a table were developed to conduct the elucidation of the structure of organic compounds initially using infrared spectra. Interpretation of hydrogen and carbon-13 nuclear magnetic resonance spectra and of mass spectra is used to confirm the proposed structure. (author)

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

Structural chemistry of superconducting pnictides and pnictide oxides with layered structures

Energy Technology Data Exchange (ETDEWEB)

Johrendt, Dirk [Ludwig-Maximilians-Univ. Muenchen (Germany). Dept. Chemie und Biochemie; Hosono, Hideo [Tokyo Institute of Technology, Yokohama (Japan). Frontier Research Center; Hoffmann, Rolf-Dieter; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

2011-07-01

The basic structural chemistry of superconducting pnictides and pnictide oxides is reviewed. Crystal chemical details of selected compounds and group subgroup schemes are discussed with respect to phase transitions upon charge-density formation, the ordering of vacancies, or the ordered displacements of oxygen atoms. Furthermore, the influences of doping and solid solutions on the valence electron concentration are discussed in order to highlight the structural and electronic flexibility of these materials. (orig.)

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

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.

D-region ion-neutral coupled chemistry (Sodankylä Ion Chemistry, SIC) within the Whole Atmosphere Community Climate Model (WACCM 4) - WACCM-SIC and WACCM-rSIC

Science.gov (United States)

Kovács, Tamás; Plane, John M. C.; Feng, Wuhu; Nagy, Tibor; Chipperfield, Martyn P.; Verronen, Pekka T.; Andersson, Monika E.; Newnham, David A.; Clilverd, Mark A.; Marsh, Daniel R.

2016-09-01

This study presents a new ion-neutral chemical model coupled into the Whole Atmosphere Community Climate Model (WACCM). The ionospheric D-region (altitudes ˜ 50-90 km) chemistry is based on the Sodankylä Ion Chemistry (SIC) model, a one-dimensional model containing 307 ion-neutral and ion recombination, 16 photodissociation and 7 photoionization reactions of neutral species, positive and negative ions, and electrons. The SIC mechanism was reduced using the simulation error minimization connectivity method (SEM-CM) to produce a reaction scheme of 181 ion-molecule reactions of 181 ion-molecule reactions of 27 positive and 18 negative ions. This scheme describes the concentration profiles at altitudes between 20 km and 120 km of a set of major neutral species (HNO3, O3, H2O2, NO, NO2, HO2, OH, N2O5) and ions (O2+, O4+, NO+, NO+(H2O), O2+(H2O), H+(H2O), H+(H2O)2, H+(H2O)3, H+(H2O)4, O3-, NO2-, O-, O2, OH-, O2-(H2O), O2-(H2O)2, O4-, CO3-, CO3-(H2O), CO4-, HCO3-, NO2-, NO3-, NO3-(H2O), NO3-(H2O)2, NO3-(HNO3), NO3-(HNO3)2, Cl-, ClO-), which agree with the full SIC mechanism within a 5 % tolerance. Four 3-D model simulations were then performed, using the impact of the January 2005 solar proton event (SPE) on D-region HOx and NOx chemistry as a test case of four different model versions: the standard WACCM (no negative ions and a very limited set of positive ions); WACCM-SIC (standard WACCM with the full SIC chemistry of positive and negative ions); WACCM-D (standard WACCM with a heuristic reduction of the SIC chemistry, recently used to examine HNO3 formation following an SPE); and WACCM-rSIC (standard WACCM with a reduction of SIC chemistry using the SEM-CM method). The standard WACCM misses the HNO3 enhancement during the SPE, while the full and reduced model versions predict significant NOx, HOx and HNO3 enhancements in the mesosphere during solar proton events. The SEM-CM reduction also identifies the important ion-molecule reactions that affect the partitioning of

Wastewater treatment using hybrid treatment schemes based on cavitation and Fenton chemistry: a review.

Science.gov (United States)

Bagal, Manisha V; Gogate, Parag R

2014-01-01

Advanced oxidation processes such as cavitation and Fenton chemistry have shown considerable promise for wastewater treatment applications due to the ease of operation and simple reactor design. In this review, hybrid methods based on cavitation coupled with Fenton process for the treatment of wastewater have been discussed. The basics of individual processes (Acoustic cavitation, Hydrodynamic cavitation, Fenton chemistry) have been discussed initially highlighting the need for combined processes. The different types of reactors used for the combined processes have been discussed with some recommendations for large scale operation. The effects of important operating parameters such as solution temperature, initial pH, initial pollutant concentration and Fenton's reagent dosage have been discussed with guidelines for selection of optimum parameters. The optimization of power density is necessary for ultrasonic processes (US) and combined processes (US/Fenton) whereas the inlet pressure needs to be optimized in the case of Hydrodynamic cavitation (HC) based processes. An overview of different pollutants degraded under optimized conditions using HC/Fenton and US/Fenton process with comparison with individual processes have been presented. It has been observed that the main mechanism for the synergy of the combined process depends on the generation of additional hydroxyl radicals and its proper utilization for the degradation of the pollutant, which is strongly dependent on the loading of hydrogen peroxide. Overall, efficient wastewater treatment with high degree of energy efficiency can be achieved using combined process operating under optimized conditions, as compared to the individual process. Copyright © 2013 Elsevier B.V. All rights reserved.

Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

Science.gov (United States)

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

2018-06-13

An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

Final Technical Report - SciDAC Cooperative Agreement: Center for Extended Magnetohydrodynamic Modeling/ Transport and Dynamics in Torodial Fusion System

International Nuclear Information System (INIS)

Schanck, Dalton D.

2010-01-01

Final technical report for research performed by Professor Dalton D. Schnack on SciDAC Cooperative Agreement: Center for Extended MHD Modeling, DE-FC02-06ER54870, for the period 7/1/06 to 2/15/08. Principal results for this period are: 1. Development of a model for computational modeling for the primitive form of the extended MMD equations. This was reported as Phys. Plasmas 13, 058103 (2006). 2. Comparison between the NIMROD and M3D codes for simulation of the nonlinear sawtooth crash in the CDXU tokamak. This was reported in Phys. Plasmas 14, 056105 (2006). 3. Demonstration of 2-fluid and gyroviscous stabilization of interchange modes using computational extended MHD models. This was reported in Phys. Rev. Letters 101, 085005 (2008). Each of these publications is attached as an Appendix of this report. They should be consulted for technical details.

SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulence and Transport

Energy Technology Data Exchange (ETDEWEB)

Lin, Zhihong [Univ. of California, Irvine, CA (United States)

2017-12-30

Energetic particle (EP) confinement is a key physics issue for burning plasma experiment ITER, the crucial next step in the quest for clean and abundant energy, since ignition relies on self-heating by energetic fusion products (α-particles). Due to the strong coupling of EP with burning thermal plasmas, plasma confinement property in the ignition regime is one of the most uncertain factors when extrapolating from existing fusion devices to the ITER tokamak. EP population in current tokamaks are mostly produced by auxiliary heating such as neutral beam injection (NBI) and radio frequency (RF) heating. Remarkable progress in developing comprehensive EP simulation codes and understanding basic EP physics has been made by two concurrent SciDAC EP projects GSEP funded by the Department of Energy (DOE) Office of Fusion Energy Science (OFES), which have successfully established gyrokinetic turbulence simulation as a necessary paradigm shift for studying the EP confinement in burning plasmas. Verification and validation have rapidly advanced through close collaborations between simulation, theory, and experiment. Furthermore, productive collaborations with computational scientists have enabled EP simulation codes to effectively utilize current petascale computers and emerging exascale computers. We review here key physics progress in the GSEP projects regarding verification and validation of gyrokinetic simulations, nonlinear EP physics, EP coupling with thermal plasmas, and reduced EP transport models. Advances in high performance computing through collaborations with computational scientists that enable these large scale electromagnetic simulations are also highlighted. These results have been widely disseminated in numerous peer-reviewed publications including many Phys. Rev. Lett. papers and many invited presentations at prominent fusion conferences such as the biennial International Atomic Energy Agency (IAEA) Fusion Energy Conference and the annual meeting of the

Final Technical Report - SciDAC Cooperative Agreement: Center for Wave Interactions with Magnetohydrodynamics

International Nuclear Information System (INIS)

Schnack, Dalton D.

2012-01-01

Final technical report for research performed by Dr. Thomas G. Jenkins in collaboration with Professor Dalton D. Schnack on SciDAC Cooperative Agreement: Center for Wave Interactions with Magnetohydrodyanics, DE-FC02-06ER54899, for the period of 8/15/06 - 8/14/11. This report centers on the Slow MHD physics campaign work performed by Dr. Jenkins while at UW-Madison and then at Tech-X Corporation. To make progress on the problem of RF induced currents affect magnetic island evolution in toroidal plasmas, a set of research approaches are outlined. Three approaches can be addressed in parallel. These are: (1) Analytically prescribed additional term in Ohm's law to model the effect of localized ECCD current drive; (2) Introduce an additional evolution equation for the Ohm's law source term. Establish a RF source 'box' where information from the RF code couples to the fluid evolution; and (3) Carry out a more rigorous analytic calculation treating the additional RF terms in a closure problem. These approaches rely on the necessity of reinvigorating the computation modeling efforts of resistive and neoclassical tearing modes with present day versions of the numerical tools. For the RF community, the relevant action item is - RF ray tracing codes need to be modified so that general three-dimensional spatial information can be obtained. Further, interface efforts between the two codes require work as well as an assessment as to the numerical stability properties of the procedures to be used.

DECIDER: prospective randomized multicenter phase II trial of low-dose decitabine (DAC) administered alone or in combination with the histone deacetylase inhibitor valproic acid (VPA) and all-trans retinoic acid (ATRA) in patients >60 years with acute myeloid leukemia who are ineligible for induction chemotherapy

International Nuclear Information System (INIS)

Grishina, Olga; Schmoor, Claudia; Döhner, Konstanze; Hackanson, Björn; Lubrich, Beate; May, Annette M.; Cieslik, Caroline; Müller, Michael J.; Lübbert, Michael

2015-01-01

Acute myeloid leukemia (AML) is predominantly a disease of older patients with a poor long-term survival. Approval of decitabine (DAC) in the European Union (EU) in 2012 for the treatment of patients with AML ≥65 years marks the potential for hypomethylating agents in elderly AML. Nevertheless the situation is dissatisfactory and the quest for novel treatment approaches, including combination epigenetic therapy is actively ongoing. The given randomized trial should be helpful in investigating the question whether combinations of DAC with the histone deacetylase (HDAC) inhibitor valproic acid (VPA) and/or all-trans retinoic acid (ATRA), which in vitro show a very promising synergism, are superior to the DAC monotherapy. The accompanying translational research project will contribute to find surrogate molecular end points for drug efficacy and better tailor epigenetic therapy. An additional aim of the study is to investigate the prognostic value of geriatric assessments for elderly AML patients treated non-intensively. DECIDER is a prospective, randomized, observer blind, parallel group, multicenter, Phase II study with a 2x2 factorial design. The primary endpoint is objective best overall response (complete remission (CR) and partial remission (PR)). The target population is AML patients aged 60 years or older and unfit for standard induction chemotherapy. Patients are randomized to one of the four treatment groups: DAC alone or in combination with VPA or ATRA or with both add-on drugs. One interim safety analysis was planned and carried out with the objective to stop early one or more of the treatment arms in case of an unacceptable death rate. This analysis showed that in all treatment arms the critical stopping rule was not reached. No important safety issues were observed. The Data Monitoring Committee (DMC) recommended continuing the study as planned. The first patient was included in December 2011. A total of 189 out of 200 planned patients were randomized

A new hybrid scheme for simulations of highly collisional RF-driven plasmas

International Nuclear Information System (INIS)

Eremin, Denis; Hemke, Torben; Mussenbrock, Thomas

2016-01-01

This work describes a new 1D hybrid approach for modeling atmospheric pressure discharges featuring complex chemistry. In this approach electrons are described fully kinetically using particle-in-cell/Monte-Carlo (PIC/MCC) scheme, whereas the heavy species are modeled within a fluid description. Validity of the popular drift-diffusion approximation is verified against a ‘full’ fluid model accounting for the ion inertia and a fully kinetic PIC/MCC code for ions as well as electrons. The fluid models require knowledge of the momentum exchange frequency and dependence of the ion mobilities on the electric field when the ions are in equilibrium with the latter. To this end an auxiliary Monte-Carlo scheme is constructed. It is demonstrated that the drift-diffusion approximation can overestimate ion transport in simulations of RF-driven discharges with heavy ion species operated in the γ mode at the atmospheric pressure or in all discharge simulations for lower pressures. This can lead to exaggerated plasma densities and incorrect profiles provided by the drift-diffusion models. Therefore, the hybrid code version featuring the full ion fluid model should be favored against the more popular drift-diffusion model, noting that the suggested numerical scheme for the former model implies only a small additional computational cost. (paper)

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

Exact analysis of Packet Reversed Packet Combining Scheme and Modified Packet Combining Scheme; and a combined scheme

International Nuclear Information System (INIS)

Bhunia, C.T.

2007-07-01

Packet combining scheme is a well defined simple error correction scheme for the detection and correction of errors at the receiver. Although it permits a higher throughput when compared to other basic ARQ protocols, packet combining (PC) scheme fails to correct errors when errors occur in the same bit locations of copies. In a previous work, a scheme known as Packet Reversed Packet Combining (PRPC) Scheme that will correct errors which occur at the same bit location of erroneous copies, was studied however PRPC does not handle a situation where a packet has more than 1 error bit. The Modified Packet Combining (MPC) Scheme that can correct double or higher bit errors was studied elsewhere. Both PRPC and MPC schemes are believed to offer higher throughput in previous studies, however neither adequate investigation nor exact analysis was done to substantiate this claim of higher throughput. In this work, an exact analysis of both PRPC and MPC is carried out and the results reported. A combined protocol (PRPC and MPC) is proposed and the analysis shows that it is capable of offering even higher throughput and better error correction capability at high bit error rate (BER) and larger packet size. (author)

Technical Note: Adjoint formulation of the TOMCAT atmospheric transport scheme in the Eulerian backtracking framework (RETRO-TOM)

Science.gov (United States)

Haines, P. E.; Esler, J. G.; Carver, G. D.

2014-06-01

A new methodology for the formulation of an adjoint to the transport component of the chemistry transport model TOMCAT is described and implemented in a new model, RETRO-TOM. The Eulerian backtracking method is used, allowing the forward advection scheme (Prather's second-order moments) to be efficiently exploited in the backward adjoint calculations. Prather's scheme is shown to be time symmetric, suggesting the possibility of high accuracy. To attain this accuracy, however, it is necessary to make a careful treatment of the "density inconsistency" problem inherent to offline transport models. The results are verified using a series of test experiments. These demonstrate the high accuracy of RETRO-TOM when compared with direct forward sensitivity calculations, at least for problems in which flux limiters in the advection scheme are not required. RETRO-TOM therefore combines the flexibility and stability of a "finite difference of adjoint" formulation with the accuracy of an "adjoint of finite difference" formulation.

On the uses of a new linear scheme for stratospheric methane in global models: water source, transport tracer and radiative forcing

Directory of Open Access Journals (Sweden)

B. M. Monge-Sanz

2013-09-01

Full Text Available This study evaluates effects and applications of a new linear parameterisation for stratospheric methane and water vapour. The new scheme (CoMeCAT is derived from a 3-D full-chemistry-transport model (CTM. It is suitable for any global model, and is shown here to produce realistic profiles in the TOMCAT/SLIMCAT 3-D CTM and the ECMWF (European Centre for Medium-Range Weather Forecasts general circulation model (GCM. Results from the new scheme are in good agreement with the full-chemistry CTM CH4 field and with observations from the Halogen Occultation Experiment (HALOE. The scheme is also used to derive stratospheric water increments, which in the CTM produce vertical and latitudinal H2O variations in fair agreement with satellite observations. Stratospheric H2O distributions in the ECMWF GCM show realistic overall features, although concentrations are smaller than in the CTM run (up to 0.5 ppmv smaller above 10 hPa. The potential of the new CoMeCAT tracer for evaluating stratospheric transport is exploited to assess the impacts of nudging the free-running GCM to ERA-40 and ERA-Interim reanalyses. The nudged GCM shows similar transport patterns to the offline CTM forced by the corresponding reanalysis data. The new scheme also impacts radiation and temperature in the model. Compared to the default CH4 climatology and H2O used by the ECMWF radiation scheme, the main effect on ECMWF temperatures when considering both CH4 and H2O from CoMeCAT is a decrease of up to 1.0 K over the tropical mid/low stratosphere. The effect of using the CoMeCAT scheme for radiative forcing (RF calculations is investigated using the offline Edwards–Slingo radiative transfer model. Compared to the default model option of a tropospheric global 3-D CH4 value, the CoMeCAT distribution produces an overall change in the annual mean net RF of up to −30 mW m−2.

Analytical Chemistry at the Interface Between Materials Science and Biology

Energy Technology Data Exchange (ETDEWEB)

O' Brien, Janese C. [Iowa State Univ., Ames, IA (United States)

2000-09-21

Likedlessentid sciences, anal~cd chetis~continues toreinvent itself. Moving beyond its traditional roles of identification and quantification, analytical chemistry is now expanding its frontiers into areas previously reserved to other disciplines. This work describes several research efforts that lie at the new interfaces between analytical chemistry and two of these disciplines, namely materials science and biology. In the materials science realm, the search for new materials that may have useful or unique chromatographic properties motivated the synthesis and characterization of electrically conductive sol-gels. In the biology realm, the search for new surface fabrication schemes that would permit or even improve the detection of specific biological reactions motivated the design of miniaturized biological arrays. Collectively, this work represents some of analytical chemistry’s newest forays into these disciplines. The introduction section to this dissertation provides a literature review on several of the key aspects of this work. In advance of the materials science discussion, a brief introduction into electrochemically-modulated liquid chromatography (EMLC) and sol-gel chemistry is provided. In advance of the biological discussions, brief overviews of scanning force microscopy (SFM) and the oxidative chemistry used to construct our biological arrays are provided. This section is followed by four chapters, each of which is presented as a separate manuscript, and focuses on work that describes some of our cross-disciplinary efforts within materials science and biology. This dissertation concludes with a general summary and future prospectus.

Application of Chimera Grid Scheme to Combustor Flowfields at all Speeds

Science.gov (United States)

Yungster, Shaye; Chen, Kuo-Huey

1997-01-01

A CFD method for solving combustor flowfields at all speeds on complex configurations is presented. The approach is based on the ALLSPD-3D code which uses the compressible formulation of the flow equations including real gas effects, nonequilibrium chemistry and spray combustion. To facilitate the analysis of complex geometries, the chimera grid method is utilized. To the best of our knowledge, this is the first application of the chimera scheme to reacting flows. In order to evaluate the effectiveness of this numerical approach, several benchmark calculations of subsonic flows are presented. These include steady and unsteady flows, and bluff-body stabilized spray and premixed combustion flames.

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.)

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...

Optimizing qubit resources for quantum chemistry simulations in second quantization on a quantum computer

International Nuclear Information System (INIS)

Moll, Nikolaj; Fuhrer, Andreas; Staar, Peter; Tavernelli, Ivano

2016-01-01

Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the Fermionic problem in a system of qubits. By exploiting the block diagonality of a Fermionic Hamiltonian, we show that the number of required qubits can be reduced while the number of terms in the Hamiltonian will increase. All operations for this reduction can be performed in operator space. The scheme is conceived as a pre-computational step that would be performed prior to the actual quantum simulation. We apply this scheme to reduce the number of qubits necessary to simulate both the Hamiltonian of the two-site Fermi–Hubbard model and the hydrogen molecule. Both quantum systems can then be simulated with a two-qubit quantum computer. Despite the increase in the number of Hamiltonian terms, the scheme still remains a useful tool to reduce the dimensionality of specific quantum systems for quantum simulators with a limited number of resources. (paper)

Development of a simple unified volatility-based scheme (SUVS for secondary organic aerosol formation using genetic algorithms

Directory of Open Access Journals (Sweden)

A. G. Xia

2011-07-01

Full Text Available A new method is proposed to simplify complex atmospheric chemistry reaction schemes, while preserving SOA formation properties, using genetic algorithms. The method is first applied in this study to the gas-phase α-pinene oxidation scheme. The simple unified volatility-based scheme (SUVS reflects the multi-generation evolution of chemical species from a near-explicit master chemical mechanism (MCM and, at the same time, uses the volatility-basis set speciation for condensable products. The SUVS also unifies reactions between SOA precursors with different oxidants under different atmospheric conditions. A total of 412 unknown parameters (product yields of parameterized products, reaction rates, etc. from the SUVS are estimated by using genetic algorithms operating on the detailed mechanism. The number of organic species was reduced from 310 in the detailed mechanism to 31 in the SUVS. Output species profiles, obtained from the original subset of the MCM reaction scheme for α-pinene oxidation, are reproduced with maximum fractional error at 0.10 for scenarios under a wide range of ambient HC/NO_x conditions. Ultimately, the same SUVS with updated parameters could be used to describe the SOA formation from different precursors.

Finite Boltzmann schemes

NARCIS (Netherlands)

Sman, van der R.G.M.

2006-01-01

In the special case of relaxation parameter = 1 lattice Boltzmann schemes for (convection) diffusion and fluid flow are equivalent to finite difference/volume (FD) schemes, and are thus coined finite Boltzmann (FB) schemes. We show that the equivalence is inherent to the homology of the

Static magnetic Faraday rotation spectroscopy combined with a differential scheme for OH detection

Science.gov (United States)

Zhao, Weixiong; Deng, Lunhua; Qian, Xiaodong; Fang, Bo; Gai, Yanbo; Chen, Weidong; Gao, Xiaoming; Zhang, Weijun

2015-04-01

The hydroxyl (OH) radical plays a critical role in atmospheric chemistry due to its high reactivity with volatile organic compounds (VOCs) and other trace gaseous species. Because of its very short life time and very low concentration in the atmosphere, interference-free high sensitivity in-situ OH monitoring by laser spectroscopy represents a real challenge. Faraday rotation spectroscopy (FRS) relies on the particular magneto-optic effect observed for paramagnetic species, which makes it capable of enhancing the detection sensitivity and mitigation of spectral interferences from diamagnetic species in the atmosphere. When an AC magnetic field is used, the Zeeman splitting of the molecular absorption line (and thus the magnetic circular birefringence) is modulated. This provides an 'internal modulation' of the sample, which permits to suppress the external noise like interference fringes. An alternative FRS detection scheme is to use a static magnetic field (DC-field) associated with laser wavelength modulation to effectively modulate the Zeeman splitting of the absorption lines. In the DC field case, wavelength modulation of the laser frequency can provide excellent performance compared to most of the sensing systems based on direct absorption and wavelength modulation spectroscopy. The dimension of the DC solenoid is not limited by the resonant frequency of the RLC circuit, which makes large dimension solenoid coil achievable and the absorption base length could be further increased. By employing a combination of the environmental photochemical reactor or smog chamber with multipass absorption cell, one can lower the minimum detection limit for high accuracy atmospheric chemistry studies. In this paper, we report on the development of a DC field based FRS in conjunction with a balanced detection scheme for OH radical detection at 2.8 μm and the construction of OH chemistry research platform which combined a large dimension superconducting magnetic coil with the

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)

The Extrapolar SWIFT model (version 1.0): fast stratospheric ozone chemistry for global climate models

Science.gov (United States)

Kreyling, Daniel; Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

2018-03-01

The Extrapolar SWIFT model is a fast ozone chemistry scheme for interactive calculation of the extrapolar stratospheric ozone layer in coupled general circulation models (GCMs). In contrast to the widely used prescribed ozone, the SWIFT ozone layer interacts with the model dynamics and can respond to atmospheric variability or climatological trends.The Extrapolar SWIFT model employs a repro-modelling approach, in which algebraic functions are used to approximate the numerical output of a full stratospheric chemistry and transport model (ATLAS). The full model solves a coupled chemical differential equation system with 55 initial and boundary conditions (mixing ratio of various chemical species and atmospheric parameters). Hence the rate of change of ozone over 24 h is a function of 55 variables. Using covariances between these variables, we can find linear combinations in order to reduce the parameter space to the following nine basic variables: latitude, pressure altitude, temperature, overhead ozone column and the mixing ratio of ozone and of the ozone-depleting families (Cly, Bry, NOy and HOy). We will show that these nine variables are sufficient to characterize the rate of change of ozone. An automated procedure fits a polynomial function of fourth degree to the rate of change of ozone obtained from several simulations with the ATLAS model. One polynomial function is determined per month, which yields the rate of change of ozone over 24 h. A key aspect for the robustness of the Extrapolar SWIFT model is to include a wide range of stratospheric variability in the numerical output of the ATLAS model, also covering atmospheric states that will occur in a future climate (e.g. temperature and meridional circulation changes or reduction of stratospheric chlorine loading).For validation purposes, the Extrapolar SWIFT model has been integrated into the ATLAS model, replacing the full stratospheric chemistry scheme. Simulations with SWIFT in ATLAS have proven that the

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...

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....

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.

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.

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.

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.

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

Multiple-Choice Exams and Guessing: Results from a One-Year Study of General Chemistry Tests Designed to Discourage Guessing

Science.gov (United States)

Campbell, Mark L.

2015-01-01

Multiple-choice exams, while widely used, are necessarily imprecise due to the contribution of the final student score due to guessing. This past year at the United States Naval Academy the construction and grading scheme for the department-wide general chemistry multiple-choice exams were revised with the goal of decreasing the contribution of…

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

Adaptive protection scheme

Directory of Open Access Journals (Sweden)

R. Sitharthan

2016-09-01

Full Text Available This paper aims at modelling an electronically coupled distributed energy resource with an adaptive protection scheme. The electronically coupled distributed energy resource is a microgrid framework formed by coupling the renewable energy source electronically. Further, the proposed adaptive protection scheme provides a suitable protection to the microgrid for various fault conditions irrespective of the operating mode of the microgrid: namely, grid connected mode and islanded mode. The outstanding aspect of the developed adaptive protection scheme is that it monitors the microgrid and instantly updates relay fault current according to the variations that occur in the system. The proposed adaptive protection scheme also employs auto reclosures, through which the proposed adaptive protection scheme recovers faster from the fault and thereby increases the consistency of the microgrid. The effectiveness of the proposed adaptive protection is studied through the time domain simulations carried out in the PSCAD⧹EMTDC software environment.

Comparative study of numerical schemes of TVD3, UNO3-ACM and optimized compact scheme

Science.gov (United States)

Lee, Duck-Joo; Hwang, Chang-Jeon; Ko, Duck-Kon; Kim, Jae-Wook

1995-01-01

Three different schemes are employed to solve the benchmark problem. The first one is a conventional TVD-MUSCL (Monotone Upwind Schemes for Conservation Laws) scheme. The second scheme is a UNO3-ACM (Uniformly Non-Oscillatory Artificial Compression Method) scheme. The third scheme is an optimized compact finite difference scheme modified by us: the 4th order Runge Kutta time stepping, the 4th order pentadiagonal compact spatial discretization with the maximum resolution characteristics. The problems of category 1 are solved by using the second (UNO3-ACM) and third (Optimized Compact) schemes. The problems of category 2 are solved by using the first (TVD3) and second (UNO3-ACM) schemes. The problem of category 5 is solved by using the first (TVD3) scheme. It can be concluded from the present calculations that the Optimized Compact scheme and the UN03-ACM show good resolutions for category 1 and category 2 respectively.

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...

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)

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

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.

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

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.

Primary water chemistry for NPP with VVER-TOI

International Nuclear Information System (INIS)

Susakin, S.N.; Brykov, S.I.; Zadonsky, N.V.; Bystrova, O.S.

2012-09-01

Nowadays within the framework of development of the nuclear power industry in Russia the VVER-TOI reactor is under designing (Standard optimized design). The given design provides for improvement of operation safety level, of technical-economic, operational and load-follow characteristics, and for the raise of competitive capacity of reactor plant and NPP as a whole. In VVER-TOI reactor plant design the primary water chemistry has been improved considering operation experience of VVER reactor plants and a possibility of RP operation under load-follow modes from the viewpoint of meeting the following requirements: - suppression of generation of oxidizing radiolytic products under power operation; - assurance of corrosion resistance of structural materials of equipment and pipelines throughout the NPP design service life; - minimization of deposits on surfaces of the reactor core fuel rods and on heat exchange surface of steam generators; - minimization of accumulation of activated corrosion products; - minimization of the amount of radioactive processing waste. In meeting these requirements an important role is devoted to suppression of generation of oxidizing radiolytic products owing to accumulation of hydrogen in the primary coolant. At NPP with VVER-1000 reactor the ammonia-potassium water chemistry is used wherein the hydrogen accumulation is provided at the expense of ammonia proportioning. Usage of ammonia leads to generation of additional amount of radioactive processing waste and to increased irregularity of maintaining the water chemistry under the daily load-follow modes. In VVER TOI design the primary water chemistry is improved by replacing the proportioning of ammonia with the proportioning of gaseous hydrogen. Different process schemes were considered that provide for a possibility of hydrogen accumulation and maintaining owing to direct proportioning of gaseous hydrogen. The obtained results showed that transition to the potassium water chemistry

A Scheme for the Integrated Assessment of Mitigation Options

Science.gov (United States)

Held, H.; Edenhofer, O.

2003-04-01

After some consensus has been achieved that the global mean temperature will have increased by 1.4 to 5.8^oC at the end of this century in case of continued ``business as usual'' greenhouse gas emissions, society has to decide if or which mitigation measures should be taken. A new integrated assessment project on this very issue will be started at PIK in spring 2003. The assessment will cover economic aspects as well as potential side effects of various measures. In the economic module, the effects of investment decisions on technological innovation will be explicitly taken into account. Special emphasize will be put on the issue of uncertainty. Hereby we distinguish the uncertainty related to the Integrated Assessment modules, including the economic module, from the fact that no over-complex system can be fully captured by a model. Therefore, a scheme for the assessment of the ``residual'', the non-modelled part of the system, needs to be worked out. The scheme must be truly interdisciplinary, i.e. must be applicable to at least the natural science and the economic aspects. A scheme based on meta-principles like minimum persistence, ubiquity, or irreversibility of potential measures appears to be a promising candidate. An implementation of ubiquity as at present successfully operated in environmental chemistry may serve as a guideline [1]. Here, the best-known mechanism within a complex impact chain of potentially harmful chemicals, their transport, is captured by a reaction-diffusion mechanism [2]. begin{thebibliography}{0} bibitem{s} M. Scheringer, Persistence and spatial range as endpoints of an exposure-based assessment of organic chemicals. Environ. Sci. Technol. 30: 1652-1659 (1996). bibitem{h} H. Held, Robustness of spatial ranges of environmental chemicals with respect to model dimension, accepted for publication in Stoch. Environ. Res. Risk Assessment.

Exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology.

Science.gov (United States)

Ojima, Iwao

2013-07-05

Over the last three decades, my engagement in "fluorine chemistry" has evolved substantially because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of "fluorine chemistry" in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology, and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy.

Functional renormalization group and Kohn-Sham scheme in density functional theory

Science.gov (United States)

Liang, Haozhao; Niu, Yifei; Hatsuda, Tetsuo

2018-04-01

Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By taking the φ4 theory in zero dimension as a benchmark, we demonstrate that our method shows extremely fast convergence to the exact result even for the highly strong coupling regime.

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.)

Implications of Lagrangian transport for coupled chemistry-climate simulations

Science.gov (United States)

Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.

2008-10-01

For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is

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 ...

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

Surface chemistry essentials

CERN Document Server

Birdi, K S

2013-01-01

Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w

Colour schemes

DEFF Research Database (Denmark)

van Leeuwen, Theo

2013-01-01

This chapter presents a framework for analysing colour schemes based on a parametric approach that includes not only hue, value and saturation, but also purity, transparency, luminosity, luminescence, lustre, modulation and differentiation.......This chapter presents a framework for analysing colour schemes based on a parametric approach that includes not only hue, value and saturation, but also purity, transparency, luminosity, luminescence, lustre, modulation and differentiation....

The New Color of Chemistry: Green Chemistry

Directory of Open Access Journals (Sweden)

Zuhal GERÇEK

2012-01-01

Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.

Technetium chemistry

International Nuclear Information System (INIS)

Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

1996-01-01

Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL)

Genes encoding two lipoproteins in the leuS-dacA region of the Escherichia coli chromosome

International Nuclear Information System (INIS)

Takase, I.; Ishino, F.; Wachi, M.; Kamata, H.; Doi, M.; Asoh, S.; Matsuzawa, H.; Ohta, T.; Matsuhashi, M.

1987-01-01

The coding of two rare lipoproteins by two genes, rlpA and rlpB, located in the leuS-dacA region (15 min) on the Escherichia coli chromosome was demonstrated by expression of subcloned genes in a maxicell system. The formation of these two proteins was inhibited by globomycin, which is an inhibitor of the signal peptidase for the known lipoproteins of E. coli. In each case, this inhibition was accompanied by formation of a new protein, which showed a slightly lower mobility on sodium dodecyl sulfate-polyacrylamide gel electrophoresis and which we suppose to be a prolipoprotein with an N-terminal signal peptide sequence similar to those of the bacterial major lipoproteins and lysis proteins of some bacteriocins. The incorporation of 3 H-labeled palmitate and glycerol into the two lipoproteins was also observed. Sequencing of DNA showed that the two lipoprotein genes contained sequences that could code for signal peptide sequences of 17 amino acids (rlpA lipoprotein) and 18 amino acids (rlpB lipoprotein). The deduced sequences of the mature peptides consisted of 345 amino acids (M/sub r/ 35,615, rlpA lipoprotein) and 175 amino acids (M/sub r/ 19,445, rlpB lipoprotein), with an N-terminal cysteine to which thioglyceride and N-fatty acyl residues may be attached. These two lioproteins may be important in duplication of the cells

Chemistry of Technetium

International Nuclear Information System (INIS)

Omori, Takashi

2001-01-01

Since the late 1970's the coordination chemistry of technetium has been developed remarkably. The background of the development is obviously related to the use of technetium radiopharmaceuticals for diagnosis in nuclear medicine. Much attention has also been denoted to the chemical behavior of environmental 99 Tc released from reprocessing plants. This review covers the several aspects of technetium chemistry, including production of radioisotopes, analytical chemistry and coordination chemistry. In the analytical chemistry, separation of technetium, emphasizing chromatography and solvent extraction, is described together with spectrophotometric determination of technetium. In the coordination chemistry of technetium, a characteristic feature of the chemistry of Tc(V) complexes is referred from the view point of the formation of a wide variety of highly stable complexes containing the Tc=O or Tc≡N bond. Kinetic studies of the preparation of Tc(III) complexes using hexakis (thiourea) technetium(III) ion as a starting material are summarized, together with the base hydrolysis reactions of Tc(III), Tc(IV) and Tc(V) complexes. (author)

Physical Chemistry '98: Fourth International Conference on Fundamental and Applied Aspects of Physical Chemistry - Papers

International Nuclear Information System (INIS)

Ribnikar, S.; Anic, S.

1998-01-01

The proceedings has following chapters: Plenary lectures; Chemical Thermodynamics; Spectroscopy, Molecular Structures, Physical Chemistry of Plasma; Kinetics, Catalysis, Nonlinear Dynamics; Electrochemistry; Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry; Solid State Physical Chemistry, Material Science; Macromolecular Physical Chemistry; Environmental Protection; Phase Boundaries; Complex Compounds; General Physical Chemistry. A separated abstract was prepared for each of the 20 papers selected from the three chapters: Biophysical Chemistry, Photochemistry, Radiation Chemistry; Radiochemistry, Nuclear Chemistry. and Environmental Protection. Refs and figs

Radiation chemistry

Energy Technology Data Exchange (ETDEWEB)

None

1973-07-01

Research progress is reported on radiation chemistry of heavy elements that includes the following topics: radiation chemistry of plutonium in nitric acid solutions (spectrophotometric analysis and gamma radiolysis of Pu(IV) and Pu(VI) in nitric acid solution); EPR studies of intermediates formed in radiolytic reactions with aqueous medium; two-phase radiolysis and its effect on the distribution coefficient of plutonium; and radiation chemistry of nitric acid. (DHM)

Environmental chemistry. Seventh edition

Energy Technology Data Exchange (ETDEWEB)

Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)

1999-11-01

This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

Adaptive Robust Online Constructive Fuzzy Control of a Complex Surface Vehicle System.

Science.gov (United States)

Wang, Ning; Er, Meng Joo; Sun, Jing-Chao; Liu, Yan-Cheng

2016-07-01

In this paper, a novel adaptive robust online constructive fuzzy control (AR-OCFC) scheme, employing an online constructive fuzzy approximator (OCFA), to deal with tracking surface vehicles with uncertainties and unknown disturbances is proposed. Significant contributions of this paper are as follows: 1) unlike previous self-organizing fuzzy neural networks, the OCFA employs decoupled distance measure to dynamically allocate discriminable and sparse fuzzy sets in each dimension and is able to parsimoniously self-construct high interpretable T-S fuzzy rules; 2) an OCFA-based dominant adaptive controller (DAC) is designed by employing the improved projection-based adaptive laws derived from the Lyapunov synthesis which can guarantee reasonable fuzzy partitions; 3) closed-loop system stability and robustness are ensured by stable cancelation and decoupled adaptive compensation, respectively, thereby contributing to an auxiliary robust controller (ARC); and 4) global asymptotic closed-loop system can be guaranteed by AR-OCFC consisting of DAC and ARC and all signals are bounded. Simulation studies and comprehensive comparisons with state-of-the-arts fixed- and dynamic-structure adaptive control schemes demonstrate superior performance of the AR-OCFC in terms of tracking and approximation accuracy.

Antiparallel Dynamic Covalent Chemistries.

Science.gov (United States)

Matysiak, Bartosz M; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G; Liu, Bin; Komáromy, Dávid; Otto, Sijbren

2017-05-17

The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we introduce the concept of antiparallel chemistries, in which the same functional group can be channeled into one of two reversible chemistries depending on a controllable parameter. Such systems allow both for achieving complexity, by combinatorial chemistry, and addressing it, by switching from one chemistry to another by controlling an external parameter. In our design the two antiparallel chemistries are thiol-disulfide exchange and thio-Michael addition, sharing the thiol as the common building block. By means of oxidation and reduction the system can be reversibly switched from predominantly thio-Michael chemistry to predominantly disulfide chemistry, as well as to any intermediate state. Both chemistries operate in water, at room temperature, and at mildly basic pH, which makes them a suitable platform for further development of systems chemistry.

LevelScheme: A level scheme drawing and scientific figure preparation system for Mathematica

Science.gov (United States)

Caprio, M. A.

2005-09-01

LevelScheme is a scientific figure preparation system for Mathematica. The main emphasis is upon the construction of level schemes, or level energy diagrams, as used in nuclear, atomic, molecular, and hadronic physics. LevelScheme also provides a general infrastructure for the preparation of publication-quality figures, including support for multipanel and inset plotting, customizable tick mark generation, and various drawing and labeling tasks. Coupled with Mathematica's plotting functions and powerful programming language, LevelScheme provides a flexible system for the creation of figures combining diagrams, mathematical plots, and data plots. Program summaryTitle of program:LevelScheme Catalogue identifier:ADVZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVZ Operating systems:Any which supports Mathematica; tested under Microsoft Windows XP, Macintosh OS X, and Linux Programming language used:Mathematica 4 Number of bytes in distributed program, including test and documentation:3 051 807 Distribution format:tar.gz Nature of problem:Creation of level scheme diagrams. Creation of publication-quality multipart figures incorporating diagrams and plots. Method of solution:A set of Mathematica packages has been developed, providing a library of level scheme drawing objects, tools for figure construction and labeling, and control code for producing the graphics.

More Chemistry with Light! More Light in Chemistry!

Science.gov (United States)

Bach, Thorsten

2015-09-21

"…︁ Why is chemistry overlooked when talking about light? Is the photon a physical particle per se? Are all important light-induced processes biological? Maybe the role of light for chemistry and the role of chemistry for light may be far less important than a few eccentric scientists would like to believe. From the perspective of a synthetically oriented photochemist, however, the facts are different …︁" Read more in the Editorial by Thorsten Bach. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.

Science.gov (United States)

Harrison, Aline M.

1989-01-01

Discussed is a series of lectures designed to illustrate the use of general organic chemical principles in molecular biology, introduce current research in interdisciplinary areas to the beginner, increase interest in organic chemistry, and bridge the gap between traditional organic chemistry, biology, and the consumer. An outline is presented.…

Power plant cycle chemistry - a currently neglected power plant chemistry discipline

International Nuclear Information System (INIS)

Bursik, A.

2005-01-01

Power plant cycle chemistry seems to be a stepchild at both utilities and universities and research organizations. It is felt that other power plant chemistry disciplines are more important. The last International Power Cycle Chemistry Conference in Prague may be cited as an example. A critical review of the papers presented at this conference seems to confirm the above-mentioned statements. This situation is very unsatisfactory and has led to an increasing number of component failures and instances of damage to major cycle components. Optimization of cycle chemistry in fossil power plants undoubtedly results in clear benefits and savings with respect to operating costs. It should be kept in mind that many seemingly important chemistry-related issues lose their importance during forced outages of units practicing faulty plant cycle chemistry. (orig.)

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)

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.)

Organic chemistry

International Nuclear Information System (INIS)

2003-08-01

This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

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

Large eddy simulation of reactive pollutants in a deep urban street canyon: Coupling dynamics with O3-NOx-VOC chemistry.

Science.gov (United States)

Zhong, Jian; Cai, Xiao-Ming; Bloss, William James

2017-05-01

A large eddy simulation (LES) model coupled with O 3 -NO x -VOC chemistry is implemented to simulate the coupled effects of emissions, mixing and chemical pre-processing within an idealised deep (aspect ratio = 2) urban street canyon under a weak wind condition. Reactive pollutants exhibit significant spatial variations in the presence of two vertically aligned unsteady vortices formed in the canyon. Comparison of the LES results from two chemical schemes (simple NO x -O 3 chemistry and a more comprehensive Reduced Chemical Scheme (RCS) chemical mechanism) shows that the concentrations of NO 2 and O x inside the street canyon are enhanced by approximately 30-40% via OH/HO 2 chemistry. NO, NO x , O 3 , OH and HO 2 are chemically consumed, while NO 2 and O x (total oxidant) are chemically produced within the canyon environment. Within-canyon pre-processing increases oxidant fluxes from the canyon to the overlying boundary layer, and this effect is greater for deeper street canyons (as found in many traditional European urban centres) than shallower (lower aspect ratio) streets. There is clear evidence of distinct behaviours for emitted chemical species and entrained chemical species, and positive (or negative) values of intensities of segregations are found between pairs of species with similar (or opposite) behaviour. The simplified two-box model underestimated NO and O 3 levels, but overestimated NO 2 levels for both the lower and upper canyon compared with the more realistic LES-chemistry model. This suggests that the segregation effect due to incomplete mixing reduces the chemical conversion rate of NO to NO 2 . This study reveals the impacts of nonlinear O 3 -NO x -VOC photochemical processes in the incomplete mixing environment and provides a better understanding of the pre-processing of emissions within canyons, prior to their release to the urban boundary layer, through the coupling of street canyon dynamics and chemistry. Copyright © 2017 Elsevier Ltd

Simulations of physics and chemistry of polar stratospheric clouds with a general circulation model

Energy Technology Data Exchange (ETDEWEB)

Buchholz, J.

2005-04-20

A polar stratospheric cloud submodel has been developed and incorporated in a general circulation model including atmospheric chemistry (ECHAM5/MESSy). The formation and sedimentation of polar stratospheric cloud (PSC) particles can thus be simulated as well as heterogeneous chemical reactions that take place on the PSC particles. For solid PSC particle sedimentation, the need for a tailor-made algorithm has been elucidated. A sedimentation scheme based on first order approximations of vertical mixing ratio profiles has been developed. It produces relatively little numerical diffusion and can deal well with divergent or convergent sedimentation velocity fields. For the determination of solid PSC particle sizes, an efficient algorithm has been adapted. It assumes a monodisperse radii distribution and thermodynamic equilibrium between the gas phase and the solid particle phase. This scheme, though relatively simple, is shown to produce particle number densities and radii within the observed range. The combined effects of the representations of sedimentation and solid PSC particles on vertical H{sub 2}O and HNO{sub 3} redistribution are investigated in a series of tests. The formation of solid PSC particles, especially of those consisting of nitric acid trihydrate, has been discussed extensively in recent years. Three particle formation schemes in accordance with the most widely used approaches have been identified and implemented. For the evaluation of PSC occurrence a new data set with unprecedented spatial and temporal coverage was available. A quantitative method for the comparison of simulation results and observations is developed and applied. It reveals that the relative PSC sighting frequency can be reproduced well with the PSC submodel whereas the detailed modelling of PSC events is beyond the scope of coarse global scale models. In addition to the development and evaluation of new PSC submodel components, parts of existing simulation programs have been

Packet reversed packet combining scheme

International Nuclear Information System (INIS)

Bhunia, C.T.

2006-07-01

The packet combining scheme is a well defined simple error correction scheme with erroneous copies at the receiver. It offers higher throughput combined with ARQ protocols in networks than that of basic ARQ protocols. But packet combining scheme fails to correct errors when the errors occur in the same bit locations of two erroneous copies. In the present work, we propose a scheme that will correct error if the errors occur at the same bit location of the erroneous copies. The proposed scheme when combined with ARQ protocol will offer higher throughput. (author)

Organic chemistry experiment

International Nuclear Information System (INIS)

Mun, Seok Sik

2005-02-01

This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

The latest general chemistry

International Nuclear Information System (INIS)

Ryu, Geun Bae; Choi, Se Yeong; Kim, Chin Yeong; Yoon, Gil Jung; Lee, Eun Seok; Seo, Moon Gyu

1995-02-01

This book deals with the latest general chemistry, which is comprised of twenty-three chapters, the contents of this book are introduction, theory of atoms and molecule, chemical formula and a chemical reaction formula, structure of atoms, nature of atoms and the periodic table, structure of molecule and spectrum, gas, solution, solid, chemical combination, chemical reaction speed, chemical equilibrium, thermal chemistry, oxidation-reduction, electrochemistry, acid-base, complex, aquatic chemistry, air chemistry, nuclear chemistry, metal and nonmetal, organic chemistry and biochemistry. It has exercise in the end of each chapter.

Analytical chemistry instrumentation

International Nuclear Information System (INIS)

Laing, W.R.

1986-01-01

In nine sections, 48 chapters cover 1) analytical chemistry and the environment 2) environmental radiochemistry 3) automated instrumentation 4) advances in analytical mass spectrometry 5) fourier transform spectroscopy 6) analytical chemistry of plutonium 7) nuclear analytical chemistry 8) chemometrics and 9) nuclear fuel technology

Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry

Science.gov (United States)

Kubiatko, Milan

2015-01-01

Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…

A full quantum network scheme

International Nuclear Information System (INIS)

Ma Hai-Qiang; Wei Ke-Jin; Yang Jian-Hui; Li Rui-Xue; Zhu Wu

2014-01-01

We present a full quantum network scheme using a modified BB84 protocol. Unlike other quantum network schemes, it allows quantum keys to be distributed between two arbitrary users with the help of an intermediary detecting user. Moreover, it has good expansibility and prevents all potential attacks using loopholes in a detector, so it is more practical to apply. Because the fiber birefringence effects are automatically compensated, the scheme is distinctly stable in principle and in experiment. The simple components for every user make our scheme easier for many applications. The experimental results demonstrate the stability and feasibility of this scheme. (general)

Transmission usage cost allocation schemes

International Nuclear Information System (INIS)

Abou El Ela, A.A.; El-Sehiemy, R.A.

2009-01-01

This paper presents different suggested transmission usage cost allocation (TCA) schemes to the system individuals. Different independent system operator (ISO) visions are presented using the proportional rata and flow-based TCA methods. There are two proposed flow-based TCA schemes (FTCA). The first FTCA scheme generalizes the equivalent bilateral exchanges (EBE) concepts for lossy networks through two-stage procedure. The second FTCA scheme is based on the modified sensitivity factors (MSF). These factors are developed from the actual measurements of power flows in transmission lines and the power injections at different buses. The proposed schemes exhibit desirable apportioning properties and are easy to implement and understand. Case studies for different loading conditions are carried out to show the capability of the proposed schemes for solving the TCA problem. (author)

Towards "Bildung"-Oriented Chemistry Education

Science.gov (United States)

Sjöström, Jesper

2013-01-01

This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…

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.

Matroids and quantum-secret-sharing schemes

International Nuclear Information System (INIS)

Sarvepalli, Pradeep; Raussendorf, Robert

2010-01-01

A secret-sharing scheme is a cryptographic protocol to distribute a secret state in an encoded form among a group of players such that only authorized subsets of the players can reconstruct the secret. Classically, efficient secret-sharing schemes have been shown to be induced by matroids. Furthermore, access structures of such schemes can be characterized by an excluded minor relation. No such relations are known for quantum secret-sharing schemes. In this paper we take the first steps toward a matroidal characterization of quantum-secret-sharing schemes. In addition to providing a new perspective on quantum-secret-sharing schemes, this characterization has important benefits. While previous work has shown how to construct quantum-secret-sharing schemes for general access structures, these schemes are not claimed to be efficient. In this context the present results prove to be useful; they enable us to construct efficient quantum-secret-sharing schemes for many general access structures. More precisely, we show that an identically self-dual matroid that is representable over a finite field induces a pure-state quantum-secret-sharing scheme with information rate 1.

Tracking chemistry self-efficacy and achievement in a preparatory chemistry course

Science.gov (United States)

Garcia, Carmen Alicia

Self-efficacy is a person's own perception about performing a task with a certain level of proficiency (Bandura, 1986). An important affective aspect of learning chemistry is chemistry self-efficacy (CSE). Several researchers have found chemistry self-efficacy to be a fair predictor of achievement in chemistry. This study was done in a college preparatory chemistry class for science majors exploring chemistry self-efficacy and its change as it relates to achievement. A subscale of CAEQ, Chemistry Attitudes and Experiences Questionnaire (developed by Dalgety et al, 2003) as well as student interviews were used to determine student chemistry self-efficacy as it changed during the course. The questionnaire was given to the students five times during the semester: in the first class and the class before each the four tests taken through the semester. Twenty-six students, both men and women, of the four major races/ethnicities were interviewed three times during the semester and events that triggered changes in CSE were followed through the interviews. HLM (hierarchical linear modeling) was used to model the results of the CSE surveys. Among the findings, women who started at significantly lower CSE than men accomplished a significant gain by the end of the semester. Blacks' CSE trends through the semester were found to be significantly different from the rest of the ethnicities.

Green Chemistry Pedagogy

Science.gov (United States)

Kolopajlo, Larry

2017-02-01

This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

Transuranic Computational Chemistry.

Science.gov (United States)

Kaltsoyannis, Nikolas

2018-02-26

Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemistry Notes

Science.gov (United States)

School Science Review, 1976

1976-01-01

Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

Fundamentals of nuclear chemistry

International Nuclear Information System (INIS)

Matel, L.; Dulanska, S.

2013-01-01

This text-book is an introductory text in nuclear chemistry and radiochemistry, aimed on university undergraduate students in chemistry and related disciplines (physics, nuclear engineering). It covers the key aspects of modern nuclear chemistry. The text begins with basic theories in contemporary physics. It relates nuclear phenomena to key divisions of chemistry such as atomic structure, spectroscopy, equilibria and kinetics. It also gives an introduction to sources of ionizing radiation, detection of ionizing radiation, nuclear power industry and accident on nuclear installations as well as basic knowledge's of radiobiology. This book is essential reading for those taking a first course in nuclear chemistry and is a useful companion to other volumes in physical and analytical chemistry. It will also be of use to those new to working in nuclear chemistry or radiochemistry.

Handbook of heterocyclic chemistry

National Research Council Canada - National Science Library

Katritzky, Alan R

2010-01-01

... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

Scheme Program Documentation Tools

DEFF Research Database (Denmark)

Nørmark, Kurt

2004-01-01

are separate and intended for different documentation purposes they are related to each other in several ways. Both tools are based on XML languages for tool setup and for documentation authoring. In addition, both tools rely on the LAML framework which---in a systematic way---makes an XML language available...... as named functions in Scheme. Finally, the Scheme Elucidator is able to integrate SchemeDoc resources as part of an internal documentation resource....

Description and Evaluation of IAP-AACM: A Global-regional Aerosol Chemistry Model for the Earth System Model CAS-ESM

Science.gov (United States)

Wei, Y.; Chen, X.

2017-12-01

We present a first description and evaluation of the IAP Atmospheric Aerosol Chemistry Model (IAP-AACM) which has been integrated into the earth system model CAS-ESM. In this way it is possible to research into interaction of clouds and aerosol by its two-way coupling with the IAP Atmospheric General Circulation Model (IAP-AGCM). The model has a nested global-regional grid based on the Global Environmental Atmospheric Transport Model (GEATM) and the Nested Air Quality Prediction Modeling System (NAQPMS). The AACM provides two optional gas chemistry schemes, the CBM-Z gas chemistry as well as a sulfur oxidize box designed specifically for the CAS-ESM. Now the model driven by AGCM has been applied to a 1-year simulation of tropospheric chemistry both on global and regional scales for 2014, and been evaluated against various observation datasets, including aerosol precursor gas concentration, aerosol mass and number concentrations. Furthermore, global budgets in AACM are compared with other global aerosol models. Generally, the AACM simulations are within the range of other global aerosol model predictions, and the model has a reasonable agreement with observations of gases and particles concentration both on global and regional scales.

Chemistry Dashboard

Science.gov (United States)

The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

A Memory Efficient Network Encryption Scheme

Science.gov (United States)

El-Fotouh, Mohamed Abo; Diepold, Klaus

In this paper, we studied the two widely used encryption schemes in network applications. Shortcomings have been found in both schemes, as these schemes consume either more memory to gain high throughput or low memory with low throughput. The need has aroused for a scheme that has low memory requirements and in the same time possesses high speed, as the number of the internet users increases each day. We used the SSM model [1], to construct an encryption scheme based on the AES. The proposed scheme possesses high throughput together with low memory requirements.

Materials Chemistry

CERN Document Server

Fahlman, Bradley D

2011-01-01

The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

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,

Modified Aggressive Packet Combining Scheme

International Nuclear Information System (INIS)

Bhunia, C.T.

2010-06-01

In this letter, a few schemes are presented to improve the performance of aggressive packet combining scheme (APC). To combat error in computer/data communication networks, ARQ (Automatic Repeat Request) techniques are used. Several modifications to improve the performance of ARQ are suggested by recent research and are found in literature. The important modifications are majority packet combining scheme (MjPC proposed by Wicker), packet combining scheme (PC proposed by Chakraborty), modified packet combining scheme (MPC proposed by Bhunia), and packet reversed packet combining (PRPC proposed by Bhunia) scheme. These modifications are appropriate for improving throughput of conventional ARQ protocols. Leung proposed an idea of APC for error control in wireless networks with the basic objective of error control in uplink wireless data network. We suggest a few modifications of APC to improve its performance in terms of higher throughput, lower delay and higher error correction capability. (author)

Annual Report 1984. Chemistry Department

DEFF Research Database (Denmark)

Funck, Jytte; Nielsen, Ole John

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

Electron tunneling in chemistry

International Nuclear Information System (INIS)

Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

1985-01-01

Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

Annual report 1984 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1985-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry , environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

Annual report 1987 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1988-04-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

Annual report 1985 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1986-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

Annual report 1982 chemistry department

International Nuclear Information System (INIS)

Larsen, E.; Nielsen, O.J.

1983-04-01

The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

Bonus schemes and trading activity

NARCIS (Netherlands)

Pikulina, E.S.; Renneboog, L.D.R.; ter Horst, J.R.; Tobler, P.N.

2014-01-01

Little is known about how different bonus schemes affect traders' propensity to trade and which bonus schemes improve traders' performance. We study the effects of linear versus threshold bonus schemes on traders' behavior. Traders buy and sell shares in an experimental stock market on the basis of

Atom-at-a-time chemistry

International Nuclear Information System (INIS)

Nagame, Yuichiro

2009-01-01

Several techniques of the analytical chemistry in 'Atom-at-a-time chemistry' for transactinide elements have been developed. In this report a representative example in these techniques is introduced with the results. The contents are the single-atom chemistry, the chemical experiments on transactinide elements, liquid phase chemistry (the ion exchange behavior of Rutherfordium), gas phase chemistry (the chemistry of atomic No.112 element), and future development. (M.H.)

Chemistry, Poetry, and Artistic Illustration: An Interdisciplinary Approach to Teaching and Promoting Chemistry

Science.gov (United States)

Furlan, Ping Y.; Kitson, Herbert; Andes, Cynthia

2007-10-01

This article describes a successful interdisciplinary collaboration among chemistry, humanities and English faculty members, who utilized poetry and artistic illustration to help students learn, appreciate, and enjoy chemistry. Students taking general chemistry classes were introduced to poetry writing and museum-type poster preparation during one class period. They were then encouraged to use their imagination and creativity to brainstorm and write chemistry poems or humors on the concepts and principles covered in the chemistry classes and artistically illustrate their original work on posters. The project, 2 3 months in length, was perceived by students as effective at helping them learn chemistry and express their understanding in a fun, personal, and creative way. The instructors found students listened to the directives because many posters were witty, clever, and eye-catching. They showed fresh use of language and revealed a good understanding of chemistry. The top posters were created by a mix of A-, B-, and C-level students. The fine art work, coupled with poetry, helped chemistry come alive on campus, providing an aesthetic presentation of materials that engaged the general viewer.

USSR Report Chemistry

National Research Council Canada - National Science Library

1986-01-01

Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

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...

Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology

Directory of Open Access Journals (Sweden)

Fernando González-Nilo

2011-01-01

Full Text Available After the progress made during the genomics era, bioinformatics was tasked with supporting the flow of information generated by nanobiotechnology efforts. This challenge requires adapting classical bioinformatic and computational chemistry tools to store, standardize, analyze, and visualize nanobiotechnological information. Thus, old and new bioinformatic and computational chemistry tools have been merged into a new sub-discipline: nanoinformatics. This review takes a second look at the development of this new and exciting area as seen from the perspective of the evolution of nanobiotechnology applied to the life sciences. The knowledge obtained at the nano-scale level implies answers to new questions and the development of new concepts in different fields. The rapid convergence of technologies around nanobiotechnologies has spun off collaborative networks and web platforms created for sharing and discussing the knowledge generated in nanobiotechnology. The implementation of new database schemes suitable for storage, processing and integrating physical, chemical, and biological properties of nanoparticles will be a key element in achieving the promises in this convergent field. In this work, we will review some applications of nanobiotechnology to life sciences in generating new requirements for diverse scientific fields, such as bioinformatics and computational chemistry.

The New Color of Chemistry: Green Chemistry

OpenAIRE

Zuhal GERÇEK

2012-01-01

Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...

Annual report 1986 chemistry department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1987-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistral, mineral processing, and general. (author)

CSR schemes in agribusiness

DEFF Research Database (Denmark)

Pötz, Katharina Anna; Haas, Rainer; Balzarova, Michaela

2013-01-01

of schemes that can be categorized on focus areas, scales, mechanisms, origins, types and commitment levels. Research limitations/implications – The findings contribute to conceptual and empirical research on existing models to compare and analyse CSR standards. Sampling technique and depth of analysis limit......Purpose – The rise of CSR followed a demand for CSR standards and guidelines. In a sector already characterized by a large number of standards, the authors seek to ask what CSR schemes apply to agribusiness, and how they can be systematically compared and analysed. Design....../methodology/approach – Following a deductive-inductive approach the authors develop a model to compare and analyse CSR schemes based on existing studies and on coding qualitative data on 216 CSR schemes. Findings – The authors confirm that CSR standards and guidelines have entered agribusiness and identify a complex landscape...

Moderator Chemistry Program

International Nuclear Information System (INIS)

Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

1990-11-01

Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation

Publicising chemistry in a multicultural society through chemistry outreach

Directory of Open Access Journals (Sweden)

Joyce D. Sewry

2011-11-01

Full Text Available Given the emphasis in Higher Education on community engagement in South Africa and the importance of international collaboration, we discuss a joint approach to chemistry outreach in two countries on two continents with widely differing target school audiences. We describe the history of the partnership between the chemistry departments at Rhodes University and the University of Bristol and provide an outline of the chemistry content of their outreach initiatives, the modes of delivery, the advantages to both departments and their students for involvement in various levels of outreach, the challenges they still face and additional opportunities that such work facilitated. The lecture demonstration ‘A Pollutant’s Tale’ was presented to thousands of learners all over the world, including learners at resource-deprived schools in South Africa. Challenges to extend outreach activities in South Africa include long travelling distances, as well as a lack of facilities (such as school halls and electricity at schools. Outreach activities not only impacted on the target audience of young learners, they also impacted upon the postgraduate and other chemistry students taking part in these initiatives. This collaboration strengthened both institutions and their outreach work and may also lead to chemistry research collaborations between the academics involved.

Threshold Signature Schemes Application

Directory of Open Access Journals (Sweden)

Anastasiya Victorovna Beresneva

2015-10-01

Full Text Available This work is devoted to an investigation of threshold signature schemes. The systematization of the threshold signature schemes was done, cryptographic constructions based on interpolation Lagrange polynomial, elliptic curves and bilinear pairings were examined. Different methods of generation and verification of threshold signatures were explored, the availability of practical usage of threshold schemes in mobile agents, Internet banking and e-currency was shown. The topics of further investigation were given and it could reduce a level of counterfeit electronic documents signed by a group of users.

A Spatial Domain Quantum Watermarking Scheme

International Nuclear Information System (INIS)

Wei Zhan-Hong; Chen Xiu-Bo; Niu Xin-Xin; Yang Yi-Xian; Xu Shu-Jiang

2016-01-01

This paper presents a spatial domain quantum watermarking scheme. For a quantum watermarking scheme, a feasible quantum circuit is a key to achieve it. This paper gives a feasible quantum circuit for the presented scheme. In order to give the quantum circuit, a new quantum multi-control rotation gate, which can be achieved with quantum basic gates, is designed. With this quantum circuit, our scheme can arbitrarily control the embedding position of watermark images on carrier images with the aid of auxiliary qubits. Besides reversely acting the given quantum circuit, the paper gives another watermark extracting algorithm based on quantum measurements. Moreover, this paper also gives a new quantum image scrambling method and its quantum circuit. Differ from other quantum watermarking schemes, all given quantum circuits can be implemented with basic quantum gates. Moreover, the scheme is a spatial domain watermarking scheme, and is not based on any transform algorithm on quantum images. Meanwhile, it can make sure the watermark be secure even though the watermark has been found. With the given quantum circuit, this paper implements simulation experiments for the presented scheme. The experimental result shows that the scheme does well in the visual quality and the embedding capacity. (paper)

Modelling iodide – iodate speciation in atmospheric aerosol: Contributions of inorganic and organic iodine chemistry

Directory of Open Access Journals (Sweden)

S. Pechtl

2007-01-01

Full Text Available The speciation of iodine in atmospheric aerosol is currently poorly understood. Models predict negligible iodide concentrations but accumulation of iodate in aerosol, both of which is not confirmed by recent measurements. We present an updated aqueous phase iodine chemistry scheme for use in atmospheric chemistry models and discuss sensitivity studies with the marine boundary layer model MISTRA. These studies show that iodate can be reduced in acidic aerosol by inorganic reactions, i.e., iodate does not necessarily accumulate in particles. Furthermore, the transformation of particulate iodide to volatile iodine species likely has been overestimated in previous model studies due to negligence of collision-induced upper limits for the reaction rates. However, inorganic reaction cycles still do not seem to be sufficient to reproduce the observed range of iodide – iodate speciation in atmospheric aerosol. Therefore, we also investigate the effects of the recently suggested reaction of HOI with dissolved organic matter to produce iodide. If this reaction is fast enough to compete with the inorganic mechanism, it would not only directly lead to enhanced iodide concentrations but, indirectly via speed-up of the inorganic iodate reduction cycles, also to a decrease in iodate concentrations. Hence, according to our model studies, organic iodine chemistry, combined with inorganic reaction cycles, is able to reproduce observations. The presented chemistry cycles are highly dependent on pH and thus offer an explanation for the large observed variability of the iodide – iodate speciation in atmospheric aerosol.

American Association for Clinical Chemistry

Science.gov (United States)

... Find the answer to your question IN CLINICAL CHEMISTRY Hs-cTnI as a Gatekeeper for Further Cardiac ... Online Harmonization.net Commission on Accreditation in Clinical Chemistry American Board of Clinical Chemistry Clinical Chemistry Trainee ...

Proceedings of the 17. Annual Meeting of the Brazilian Chemistry Society; 7. National Symposium on Inorganic Chemistry. Abstracts

International Nuclear Information System (INIS)

1994-01-01

These 17. Annual Meeting of the Brazilian Chemistry Society and 7. National Symposium on Inorganic Chemistry present several subjects of different interests for the participants, including sections about inorganic chemistry; organic chemistry; environmental chemistry; technological chemistry; electrochemistry; physical chemistry; photochemistry; chemical education; natural products; analytical chemistry and biological chemistry. (C.G.C.)

Annual report 1988 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

1989-05-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1988 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

Annual report 1989 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

1990-03-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1989 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

Why Teach Environmental Chemistry?

Science.gov (United States)

Gardner, Marjorie H.

1974-01-01

Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

Labeling schemes for bounded degree graphs

DEFF Research Database (Denmark)

Adjiashvili, David; Rotbart, Noy Galil

2014-01-01

We investigate adjacency labeling schemes for graphs of bounded degree Δ = O(1). In particular, we present an optimal (up to an additive constant) log n + O(1) adjacency labeling scheme for bounded degree trees. The latter scheme is derived from a labeling scheme for bounded degree outerplanar...... graphs. Our results complement a similar bound recently obtained for bounded depth trees [Fraigniaud and Korman, SODA 2010], and may provide new insights for closing the long standing gap for adjacency in trees [Alstrup and Rauhe, FOCS 2002]. We also provide improved labeling schemes for bounded degree...

Frontiers in Gold Chemistry

OpenAIRE

Ahmed A. Mohamed

2015-01-01

Basic chemistry of gold tells us that it can bond to sulfur, phosphorous, nitrogen, and oxygen donor ligands. The Frontiers in Gold Chemistry Special Issue covers gold complexes bonded to the different donors and their fascinating applications. This issue covers both basic chemistry studies of gold complexes and their contemporary applications in medicine, materials chemistry, and optical sensors. There is a strong belief that aurophilicity plays a major role in the unending applications of g...

Analysis of irradiated biogenic amines by computational chemistry and spectroscopy

International Nuclear Information System (INIS)

Oliveira, Jorge L.S.P.; Borges Junior, Itamar; Cardozo, Monique; Souza, Stefania P.; Lima, Antonio L.S.; Lima, Keila S.C.

2011-01-01

Biogenic Amines (B A) are nitrogenous compounds able to cause food poisoning. In this work, we studied the tyramine, one of the most common BA present in foods by combining experimental measured IR (Infrared) and GC/MS (Gas Chromatograph / Mass Spectrometry) spectra and computational quantum chemistry. Density Functional Theory (DFT) and the Deformed Atoms in Molecules (DMA) method was used to compute the partition the electronic densities in a chemically-intuitive way and electrostatic potentials of molecule to identify the acid and basic sites. Trading pattern was irradiated using a Cs 137 radiator, and each sample was identified by IR and GC/MS. Calculated and experimental IR spectra were compared. We observed that ionizing gamma irradiation was very effective in decreasing the population of standard amine, resulting in fragments that could be rationalized through the quantum chemistry calculations. In particular, we could locate the acid and basic sites of both molecules and identify possible sites of structural weaknesses, which allowed to propose mechanistic schemes for the breaking of chemical bonds by the irradiation. Moreover, from this work we hope it will be also possible to properly choose the dose of gamma irradiation which should be provided to eliminate each type of contamination. (author)

Advanced Chemistry Laboratory

Data.gov (United States)

Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

Implementation of an Online Chemistry Model to a Large Eddy Simulation Model (PALM-4U0

Science.gov (United States)

Mauder, M.; Khan, B.; Forkel, R.; Banzhaf, S.; Russo, E. E.; Sühring, M.; Kanani-Sühring, F.; Raasch, S.; Ketelsen, K.

2017-12-01

Large Eddy Simulation (LES) models permit to resolve relevant scales of turbulent motion, so that these models can capture the inherent unsteadiness of atmospheric turbulence. However, LES models are so far hardly applied for urban air quality studies, in particular chemical transformation of pollutants. In this context, BMBF (Bundesministerium für Bildung und Forschung) funded a joint project, MOSAIK (Modellbasierte Stadtplanung und Anwendung im Klimawandel / Model-based city planning and application in climate change) with the main goal to develop a new highly efficient urban climate model (UCM) that also includes atmospheric chemical processes. The state-of-the-art LES model PALM; Maronga et al, 2015, Geosci. Model Dev., 8, doi:10.5194/gmd-8-2515-2015), has been used as a core model for the new UCM named as PALM-4U. For the gas phase chemistry, a fully coupled 'online' chemistry model has been implemented into PALM. The latest version of the Kinetic PreProcessor (KPP) Version 2.3, has been utilized for the numerical integration of chemical species. Due to the high computational demands of the LES model, compromises in the description of chemical processes are required. Therefore, a reduced chemistry mechanism, which includes only major pollutants namely O3, NO, NO2, CO, a highly simplified VOC chemistry and a small number of products have been implemented. This work shows preliminary results of the advection, and chemical transformation of atmospheric pollutants. Non-cyclic boundaries have been used for inflow and outflow in east-west directions while periodic boundary conditions have been implemented to the south-north lateral boundaries. For practical applications, our approach is to go beyond the simulation of single street canyons to chemical transformation, advection and deposition of air pollutants in the larger urban canopy. Tests of chemistry schemes and initial studies of chemistry-turbulence, transport and transformations are presented.

Multiresolution signal decomposition schemes

NARCIS (Netherlands)

J. Goutsias (John); H.J.A.M. Heijmans (Henk)

1998-01-01

textabstract[PNA-R9810] Interest in multiresolution techniques for signal processing and analysis is increasing steadily. An important instance of such a technique is the so-called pyramid decomposition scheme. This report proposes a general axiomatic pyramid decomposition scheme for signal analysis

Introducing Chemistry Students to the "Real World" of Chemistry

Science.gov (United States)

Brown, Michael E.; Cosser, Ronald C.; Davies-Coleman, Michael T.; Kaye, Perry T.; Klein, Rosalyn; Lamprecht, Emmanuel; Lobb, Kevin; Nyokong, Tebello; Sewry, Joyce D.; Tshentu, Zenixole R.; van der Zeyde, Tino; Watkins, Gareth M.

2010-01-01

A majority of chemistry graduates seek employment in a rapidly changing chemical industry. Our attempts to provide the graduates with skills in entrepreneurship and the ability to understand and communicate with their chemical engineering colleagues, in addition to their fundamental knowledge of chemistry, are described. This is done at…

Qualitative aspects of representational competence among college chemistry students: Multiple representations and their role in the understanding of ideal gases

Science.gov (United States)

Madden, Sean Patrick

This study examined the role of multiple representations of chemical phenomena, specifically, the temperature-pressure relationship of ideal gases, in the problem solving strategies of college chemistry students. Volunteers included students enrolled in a first semester general chemistry course at a western university. Two additional volunteers from the same university were asked to participate and serve as models of greater sophistication. One was a senior chemistry major; another was a junior science writing major. Volunteers completed an initial screening task involving multiple representations of concentration and dilution concepts. Based on the results of this screening instrument a smaller set of subjects were asked to complete a think aloud session involving multiple representations of the temperature-pressure relationship. Data consisted of the written work of the volunteers and transcripts from videotaped think aloud sessions. The data were evaluated by the researcher and two other graduate students in chemical education using a coding scheme (Kozma, Schank, Coppola, Michalchik, and Allen. 2000). This coding scheme was designed to identify essential features of representational competence and differences in uses of multiple representations. The results indicate that students tend to have a strong preference for one type of representation. Students scoring low on representational competence, as measured by the rubric, ignored important features of some representations or acknowledged them only superficially. Students scoring higher on representational competence made meaningful connections among representations. The more advanced students, those who rated highly on representational competence, tended to use their preferred representation in a heuristic manner to establish meaning for other representations. The more advanced students also reflected upon the problem at greater length before beginning work. Molecular level sketches seemed to be the most

Application of Weather Research and Forecasting Model with Chemistry (WRF/Chem) over northern China: Sensitivity study, comparative evaluation, and policy implications

Science.gov (United States)

Wang, Litao; Zhang, Yang; Wang, Kai; Zheng, Bo; Zhang, Qiang; Wei, Wei

2016-01-01

An extremely severe and persistent haze event occurred over the middle and eastern China in January 2013, with the record-breaking high concentrations of fine particulate matter (PM2.5). In this study, an online-coupled meteorology-air quality model, the Weather Research and Forecasting Model with Chemistry (WRF/Chem), is applied to simulate this pollution episode over East Asia and northern China at 36- and 12-km grid resolutions. A number of simulations are conducted to examine the sensitivities of the model predictions to various physical schemes. The results show that all simulations give similar predictions for temperature, wind speed, wind direction, and humidity, but large variations exist in the prediction for precipitation. The concentrations of PM2.5, particulate matter with aerodynamic diameter of 10 μm or less (PM10), sulfur dioxide (SO2), and nitrogen dioxide (NO2) are overpredicted partially due to the lack of wet scavenging by the chemistry-aerosol option with the 1999 version of the Statewide Air Pollution Research Center (SAPRC-99) mechanism with the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) and the Volatility Basis Set (VBS) for secondary organic aerosol formation. The optimal set of configurations with the best performance is the simulation with the Gorddard shortwave and RRTM longwave radiation schemes, the Purdue Lin microphysics scheme, the Kain-Fritsch cumulus scheme, and a nudging coefficient of 1 × 10-5 for water vapor mixing ratio. The emission sensitivity simulations show that the PM2.5 concentrations are most sensitive to nitrogen oxide (NOx) and SO2 emissions in northern China, but to NOx and ammonia (NH3) emissions in southern China. 30% NOx emission reductions may result in an increase in PM2.5 concentrations in northern China because of the NH3-rich and volatile organic compound (VOC) limited conditions over this area. VOC emission reductions will lead to a decrease in PM2.5 concentrations in eastern China

Tabled Execution in Scheme

Energy Technology Data Exchange (ETDEWEB)

Willcock, J J; Lumsdaine, A; Quinlan, D J

2008-08-19

Tabled execution is a generalization of memorization developed by the logic programming community. It not only saves results from tabled predicates, but also stores the set of currently active calls to them; tabled execution can thus provide meaningful semantics for programs that seemingly contain infinite recursions with the same arguments. In logic programming, tabled execution is used for many purposes, both for improving the efficiency of programs, and making tasks simpler and more direct to express than with normal logic programs. However, tabled execution is only infrequently applied in mainstream functional languages such as Scheme. We demonstrate an elegant implementation of tabled execution in Scheme, using a mix of continuation-passing style and mutable data. We also show the use of tabled execution in Scheme for a problem in formal language and automata theory, demonstrating that tabled execution can be a valuable tool for Scheme users.

Optimal Face-Iris Multimodal Fusion Scheme

Directory of Open Access Journals (Sweden)

Omid Sharifi

2016-06-01

Full Text Available Multimodal biometric systems are considered a way to minimize the limitations raised by single traits. This paper proposes new schemes based on score level, feature level and decision level fusion to efficiently fuse face and iris modalities. Log-Gabor transformation is applied as the feature extraction method on face and iris modalities. At each level of fusion, different schemes are proposed to improve the recognition performance and, finally, a combination of schemes at different fusion levels constructs an optimized and robust scheme. In this study, CASIA Iris Distance database is used to examine the robustness of all unimodal and multimodal schemes. In addition, Backtracking Search Algorithm (BSA, a novel population-based iterative evolutionary algorithm, is applied to improve the recognition accuracy of schemes by reducing the number of features and selecting the optimized weights for feature level and score level fusion, respectively. Experimental results on verification rates demonstrate a significant improvement of proposed fusion schemes over unimodal and multimodal fusion methods.

In-Package Chemistry Abstraction

Energy Technology Data Exchange (ETDEWEB)

P.S. Domski

2003-07-21

The work associated with the development of this model report was performed in accordance with the requirements established in ''Technical Work Plan for Waste Form Degradation Modeling, Testing, and Analyses in Support of SR and LA'' (BSC 2002a). The in-package chemistry model and in-package chemistry model abstraction are developed to predict the bulk chemistry inside of a failed waste package and to provide simplified expressions of that chemistry. The purpose of this work is to provide the abstraction model to the Performance Assessment Project and the Waste Form Department for development of geochemical models of the waste package interior. The scope of this model report is to describe the development and validation of the in-package chemistry model and in-package chemistry model abstraction. The in-package chemistry model will consider chemical interactions of water with the waste package materials and the waste form for commercial spent nuclear fuel (CSNF) and codisposed high-level waste glass (HLWG) and N Reactor spent fuel (CDNR). The in-package chemistry model includes two sub-models, the first a water vapor condensation (WVC) model, where water enters a waste package as vapor and forms a film on the waste package components with subsequent film reactions with the waste package materials and waste form--this is a no-flow model, the reacted fluids do not exit the waste package via advection. The second sub-model of the in-package chemistry model is the seepage dripping model (SDM), where water, water that may have seeped into the repository from the surrounding rock, enters a failed waste package and reacts with the waste package components and waste form, and then exits the waste package with no accumulation of reacted water in the waste package. Both of the submodels of the in-package chemistry model are film models in contrast to past in-package chemistry models where all of the waste package pore space was filled with water. The

In-Package Chemistry Abstraction

International Nuclear Information System (INIS)

P.S. Domski

2003-01-01

The work associated with the development of this model report was performed in accordance with the requirements established in ''Technical Work Plan for Waste Form Degradation Modeling, Testing, and Analyses in Support of SR and LA'' (BSC 2002a). The in-package chemistry model and in-package chemistry model abstraction are developed to predict the bulk chemistry inside of a failed waste package and to provide simplified expressions of that chemistry. The purpose of this work is to provide the abstraction model to the Performance Assessment Project and the Waste Form Department for development of geochemical models of the waste package interior. The scope of this model report is to describe the development and validation of the in-package chemistry model and in-package chemistry model abstraction. The in-package chemistry model will consider chemical interactions of water with the waste package materials and the waste form for commercial spent nuclear fuel (CSNF) and codisposed high-level waste glass (HLWG) and N Reactor spent fuel (CDNR). The in-package chemistry model includes two sub-models, the first a water vapor condensation (WVC) model, where water enters a waste package as vapor and forms a film on the waste package components with subsequent film reactions with the waste package materials and waste form--this is a no-flow model, the reacted fluids do not exit the waste package via advection. The second sub-model of the in-package chemistry model is the seepage dripping model (SDM), where water, water that may have seeped into the repository from the surrounding rock, enters a failed waste package and reacts with the waste package components and waste form, and then exits the waste package with no accumulation of reacted water in the waste package. Both of the submodels of the in-package chemistry model are film models in contrast to past in-package chemistry models where all of the waste package pore space was filled with water. The current in

A Quantum Chemistry Concept Inventory for Physical Chemistry Classes

Science.gov (United States)

Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas

2016-01-01

A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…

Annual report 1983 Chemistry Department

International Nuclear Information System (INIS)

Funck, J.; Larsen, E.; Nielsen, O.J.

1984-05-01

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1983 are presented. The facilities and equipment are barely mentioned. The activities are divided into nine groups: 1. radioisotope chemistry 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry and waste disposal 6. radical chemstry 7. positron annihilation 8. mineral processing 9. general. (author)

Fundamentals of reactor chemistry

International Nuclear Information System (INIS)

Akatsu, Eiko

1981-12-01

In the Nuclear Engineering School of JAERI, many courses are presented for the people working in and around the nuclear reactors. The curricula of the courses contain also the subject material of chemistry. With reference to the foreign curricula, a plan of educational subject material of chemistry in the Nuclear Engineering School of JAERI was considered, and the fundamental part of reactor chemistry was reviewed in this report. Since the students of the Nuclear Engineering School are not chemists, the knowledge necessary in and around the nuclear reactors was emphasized in order to familiarize the students with the reactor chemistry. The teaching experience of the fundamentals of reactor chemistry is also given. (author)

DOE fundamentals handbook: Chemistry

International Nuclear Information System (INIS)

1993-01-01

This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

Application of the principle of supramolecular chemistry in the fields of radiochemistry and radiation chemistry

International Nuclear Information System (INIS)

Shen Xinghai; Chen Qingde; Gao Hongcheng

2008-01-01

Supramolecular chemistry, one of the front fields in chemistry, is defined as 'chemistry beyond the molecule', bearing on the organized entities of higher complexity that result from the association of two or more chemical species held together by intermolecular forces. This article focuses on the application of the principle of supramolecular chemistry in the fields of radiochemistry and radiation chemistry. The following aspects are concerned: (1) the recent progress of supramolecular chemistry; (2) the application of the principle of supramolecular chemistry and the functions of supramolecular system, i.e., recognition, assembly and translocation, in the extraction of nuclides; (3) the application of microemulsion, ionic imprinted polymers, ionic liquids and cloud point extraction in the enrichment of nuclides; (4) the radiation effect of supramolecular systems. (authors)

Henry Taube and Coordination Chemistry

Science.gov (United States)

dropdown arrow Site Map A-Z Index Menu Synopsis Henry Taube and Coordination Chemistry Resources with Professor of Chemistry, Emeritus, at Stanford University, received the 1983 Nobel Prize in Chemistry " there from 1940-41. "I became deeply interested in chemistry soon after I came to Berkeley,"

Multiuser switched diversity scheduling schemes

KAUST Repository

Shaqfeh, Mohammad; Alnuweiri, Hussein M.; Alouini, Mohamed-Slim

2012-01-01

Multiuser switched-diversity scheduling schemes were recently proposed in order to overcome the heavy feedback requirements of conventional opportunistic scheduling schemes by applying a threshold-based, distributed, and ordered scheduling mechanism. The main idea behind these schemes is that slight reduction in the prospected multiuser diversity gains is an acceptable trade-off for great savings in terms of required channel-state-information feedback messages. In this work, we characterize the achievable rate region of multiuser switched diversity systems and compare it with the rate region of full feedback multiuser diversity systems. We propose also a novel proportional fair multiuser switched-based scheduling scheme and we demonstrate that it can be optimized using a practical and distributed method to obtain the feedback thresholds. We finally demonstrate by numerical examples that switched-diversity scheduling schemes operate within 0.3 bits/sec/Hz from the ultimate network capacity of full feedback systems in Rayleigh fading conditions. © 2012 IEEE.

Short-Term Saved Leave Scheme

CERN Multimedia

2007-01-01

As announced at the meeting of the Standing Concertation Committee (SCC) on 26 June 2007 and in http://Bulletin No. 28/2007, the existing Saved Leave Scheme will be discontinued as of 31 December 2007. Staff participating in the Scheme will shortly receive a contract amendment stipulating the end of financial contributions compensated by save leave. Leave already accumulated on saved leave accounts can continue to be taken in accordance with the rules applicable to the current scheme. A new system of saved leave will enter into force on 1 January 2008 and will be the subject of a new implementation procedure entitled "Short-term saved leave scheme" dated 1 January 2008. At its meeting on 4 December 2007, the SCC agreed to recommend the Director-General to approve this procedure, which can be consulted on the HR Department’s website at the following address: https://cern.ch/hr-services/services-Ben/sls_shortterm.asp All staff wishing to participate in the new scheme a...

Short-Term Saved Leave Scheme

CERN Multimedia

HR Department

2007-01-01

As announced at the meeting of the Standing Concertation Committee (SCC) on 26 June 2007 and in http://Bulletin No. 28/2007, the existing Saved Leave Scheme will be discontinued as of 31 December 2007. Staff participating in the Scheme will shortly receive a contract amendment stipulating the end of financial contributions compensated by save leave. Leave already accumulated on saved leave accounts can continue to be taken in accordance with the rules applicable to the current scheme. A new system of saved leave will enter into force on 1 January 2008 and will be the subject of a new im-plementation procedure entitled "Short-term saved leave scheme" dated 1 January 2008. At its meeting on 4 December 2007, the SCC agreed to recommend the Director-General to approve this procedure, which can be consulted on the HR Department’s website at the following address: https://cern.ch/hr-services/services-Ben/sls_shortterm.asp All staff wishing to participate in the new scheme ...

Multiuser switched diversity scheduling schemes

KAUST Repository

Shaqfeh, Mohammad

2012-09-01

Multiuser switched-diversity scheduling schemes were recently proposed in order to overcome the heavy feedback requirements of conventional opportunistic scheduling schemes by applying a threshold-based, distributed, and ordered scheduling mechanism. The main idea behind these schemes is that slight reduction in the prospected multiuser diversity gains is an acceptable trade-off for great savings in terms of required channel-state-information feedback messages. In this work, we characterize the achievable rate region of multiuser switched diversity systems and compare it with the rate region of full feedback multiuser diversity systems. We propose also a novel proportional fair multiuser switched-based scheduling scheme and we demonstrate that it can be optimized using a practical and distributed method to obtain the feedback thresholds. We finally demonstrate by numerical examples that switched-diversity scheduling schemes operate within 0.3 bits/sec/Hz from the ultimate network capacity of full feedback systems in Rayleigh fading conditions. © 2012 IEEE.

AECL research programs in chemistry

International Nuclear Information System (INIS)

Crocker, I.H.; Eastwood, T.A.; Smith, D.R.; Stewart, R.B.; Tomlinson, M.; Torgerson, D.F.

1980-09-01

Fundamental or underlying research in chemistry is being done in AECL laboratories to further the understanding of processes involved in current nuclear energy systems and maintain an awareness of progress at the frontiers of chemical research so that new advances can be turned to advantage in future AECL endeavours. The report introduces the current research topics and describes them briefly under the following headings: radiation chemistry, isotope separation, high temperature solution chemistry, fuel reprocessing chemistry, and analytical chemistry. (auth)

Phase chemistry of tank sludge residual components. 1998 annual progress report

International Nuclear Information System (INIS)

Brady, P.V.; Krumhansl, J.L.; Liu, J.; Nagy, K.L.

1998-01-01

'The proposed research will provide a scientific basis for predicting the long-term fate of radionuclides remaining with the sludge in decommissioned waste tanks. Nuclear activities in the United States and elsewhere produce substantial volumes of highly radioactive semi-liquid slurries that traditionally are stored in large underground tanks while final waste disposal strategies are established. Although most of this waste will eventually be reprocessed a contaminated structure will remain which must either be removed or decommissioned in place. To accrue the substantial savings associated with in-place disposal will require a performance assessment which, in turn, means predicting the leach behavior of the radionuclides associated with the residual sludges. The phase chemistry of these materials is poorly known so a credible source term cannot presently be formulated. Further, handling of actual radioactive sludges is exceedingly cumbersome and expensive. This proposal is directed at: (1) developing synthetic nonradioactive sludges that match wastes produced by the various fuel processing steps, (2) monitoring the changes in phase chemistry of these sludges as they age, and (3) relating the mobility of trace amounts of radionuclides (or surrogates) in the sludge to the phase changes in the aging wastes. This report summarizes work carried out during the first year of a three year project. A prerequisite to performing a meaningful study was to learn in considerable detail about the chemistry of waste streams produced by fuel reprocessing. At Hanford this is not a simple task since over the last five decades four different reprocessing schemes were used: the early BiPO 4 separation for just Pu, the U recovery activity to further treat wastes left by the BiPO 4 activities, the REDOX process and most recently, the PUREX processes. Savannah River fuel reprocessing started later and only PUREX wastes were generated. It is the working premise of this proposal that most

Numerical schemes for explosion hazards

International Nuclear Information System (INIS)

Therme, Nicolas

2015-01-01

In nuclear facilities, internal or external explosions can cause confinement breaches and radioactive materials release in the environment. Hence, modeling such phenomena is crucial for safety matters. Blast waves resulting from explosions are modeled by the system of Euler equations for compressible flows, whereas Navier-Stokes equations with reactive source terms and level set techniques are used to simulate the propagation of flame front during the deflagration phase. The purpose of this thesis is to contribute to the creation of efficient numerical schemes to solve these complex models. The work presented here focuses on two major aspects: first, the development of consistent schemes for the Euler equations, then the buildup of reliable schemes for the front propagation. In both cases, explicit in time schemes are used, but we also introduce a pressure correction scheme for the Euler equations. Staggered discretization is used in space. It is based on the internal energy formulation of the Euler system, which insures its positivity and avoids tedious discretization of the total energy over staggered grids. A discrete kinetic energy balance is derived from the scheme and a source term is added in the discrete internal energy balance equation to preserve the exact total energy balance at the limit. High order methods of MUSCL type are used in the discrete convective operators, based solely on material velocity. They lead to positivity of density and internal energy under CFL conditions. This ensures that the total energy cannot grow and we can furthermore derive a discrete entropy inequality. Under stability assumptions of the discrete L8 and BV norms of the scheme's solutions one can prove that a sequence of converging discrete solutions necessarily converges towards the weak solution of the Euler system. Besides it satisfies a weak entropy inequality at the limit. Concerning the front propagation, we transform the flame front evolution equation (the so called

Compact Spreader Schemes

Energy Technology Data Exchange (ETDEWEB)

Placidi, M.; Jung, J. -Y.; Ratti, A.; Sun, C.

2014-07-25

This paper describes beam distribution schemes adopting a novel implementation based on low amplitude vertical deflections combined with horizontal ones generated by Lambertson-type septum magnets. This scheme offers substantial compactness in the longitudinal layouts of the beam lines and increased flexibility for beam delivery of multiple beam lines on a shot-to-shot basis. Fast kickers (FK) or transverse electric field RF Deflectors (RFD) provide the low amplitude deflections. Initially proposed at the Stanford Linear Accelerator Center (SLAC) as tools for beam diagnostics and more recently adopted for multiline beam pattern schemes, RFDs offer repetition capabilities and a likely better amplitude reproducibility when compared to FKs, which, in turn, offer more modest financial involvements both in construction and operation. Both solutions represent an ideal approach for the design of compact beam distribution systems resulting in space and cost savings while preserving flexibility and beam quality.

Analysis of Students’ Missed Organic Chemistry Quiz Questions that Stress the Importance of Prior General Chemistry Knowledge

OpenAIRE

Julie Ealy

2018-01-01

A concern about students’ conceptual difficulties in organic chemistry prompted this study. It was found that prior knowledge from general chemistry was critical in organic chemistry, but what were some of the concepts that comprised that prior knowledge? Therefore an analysis of four years of organic chemistry quiz data was undertaken. Multiple general chemistry concepts were revealed that are essential prior knowledge in organic chemistry. The general chemistry concepts that were foun...

Electrostatics in Chemistry

Indian Academy of Sciences (India)

fundamental concepts of electrostatics as applied to atoms and molecules. The electric ... chemistry, the chemistry of the covalent bond, deals with the structures ..... the position of an asteroid named Ceres ... World Scientific. Singapore, 1992.

Relational Analysis of College Chemistry-Major Students' Conceptions of and Approaches to Learning Chemistry

Science.gov (United States)

Li, Wei-Ting; Liang, Jyh-Chong; Tsai, Chin-Chung

2013-01-01

The purpose of this research was to examine the relationships between conceptions of learning and approaches to learning in chemistry. Two questionnaires, conceptions of learning chemistry (COLC) and approaches to learning chemistry (ALC), were developed to identify 369 college chemistry-major students' (220 males and 149 females) conceptions of…

Quantum signature scheme for known quantum messages

International Nuclear Information System (INIS)

Kim, Taewan; Lee, Hyang-Sook

2015-01-01

When we want to sign a quantum message that we create, we can use arbitrated quantum signature schemes which are possible to sign for not only known quantum messages but also unknown quantum messages. However, since the arbitrated quantum signature schemes need the help of a trusted arbitrator in each verification of the signature, it is known that the schemes are not convenient in practical use. If we consider only known quantum messages such as the above situation, there can exist a quantum signature scheme with more efficient structure. In this paper, we present a new quantum signature scheme for known quantum messages without the help of an arbitrator. Differing from arbitrated quantum signature schemes based on the quantum one-time pad with the symmetric key, since our scheme is based on quantum public-key cryptosystems, the validity of the signature can be verified by a receiver without the help of an arbitrator. Moreover, we show that our scheme provides the functions of quantum message integrity, user authentication and non-repudiation of the origin as in digital signature schemes. (paper)

Two-level schemes for the advection equation

Science.gov (United States)

Vabishchevich, Petr N.

2018-06-01

The advection equation is the basis for mathematical models of continuum mechanics. In the approximate solution of nonstationary problems it is necessary to inherit main properties of the conservatism and monotonicity of the solution. In this paper, the advection equation is written in the symmetric form, where the advection operator is the half-sum of advection operators in conservative (divergent) and non-conservative (characteristic) forms. The advection operator is skew-symmetric. Standard finite element approximations in space are used. The standard explicit two-level scheme for the advection equation is absolutely unstable. New conditionally stable regularized schemes are constructed, on the basis of the general theory of stability (well-posedness) of operator-difference schemes, the stability conditions of the explicit Lax-Wendroff scheme are established. Unconditionally stable and conservative schemes are implicit schemes of the second (Crank-Nicolson scheme) and fourth order. The conditionally stable implicit Lax-Wendroff scheme is constructed. The accuracy of the investigated explicit and implicit two-level schemes for an approximate solution of the advection equation is illustrated by the numerical results of a model two-dimensional problem.

Advances in quantum chemistry

CERN Document Server

Sabin, John R

2013-01-01

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

Optimal Sales Schemes for Network Goods

DEFF Research Database (Denmark)

Parakhonyak, Alexei; Vikander, Nick

consumers simultaneously, serve them all sequentially, or employ any intermediate scheme. We show that the optimal sales scheme is purely sequential, where each consumer observes all previous sales before choosing whether to buy himself. A sequential scheme maximizes the amount of information available...

Radiochemistry in chemistry and chemistry related undergraduate programmes in Argentina

International Nuclear Information System (INIS)

Fornaciari Iljadica, M.C.; Furnari, J.C.; Cohen, I.M.

2006-01-01

The evolution of education in Argentina at the university level is described. The detailed search of the educational offer shows that less than half of the universities (35 out of 92) include chemistry and chemistry related undergraduate programmes in their curriculum. The revision of the position of radiochemistry in these programmes reveals that only seven courses on radiochemistry are currently offered. Radiochemistry is included only in few programmes in chemistry and biochemistry. With respect to the programmes in chemical engineering the situation is worse. This offer is strongly concentrated in Buenos Aires and its surroundings. (author)

A magnet lattice for a tau-charm factory suitable for both standard scheme and monochromatization scheme

International Nuclear Information System (INIS)

Beloshitsky, P.

1992-06-01

A versatile magnet lattice for a tau-charm factory is considered in this report. The main feature of this lattice is the possibility to use it for both standard flat beam scheme and beam monochromatization scheme. The detailed description of the lattice is given. The restrictions following the compatibility of both schemes are discussed

THROUGHPUT ANALYSIS OF EXTENDED ARQ SCHEMES

African Journals Online (AJOL)

PUBLICATIONS1

ABSTRACT. Various Automatic Repeat Request (ARQ) schemes have been used to combat errors that befall in- formation transmitted in digital communication systems. Such schemes include simple ARQ, mixed mode ARQ and Hybrid ARQ (HARQ). In this study we introduce extended ARQ schemes and derive.

Object-Oriented/Data-Oriented Design of a Direct Simulation Monte Carlo Algorithm

Science.gov (United States)

Liechty, Derek S.

2014-01-01

Over the past decade, there has been much progress towards improved phenomenological modeling and algorithmic updates for the direct simulation Monte Carlo (DSMC) method, which provides a probabilistic physical simulation of gas Rows. These improvements have largely been based on the work of the originator of the DSMC method, Graeme Bird. Of primary importance are improved chemistry, internal energy, and physics modeling and a reduction in time to solution. These allow for an expanded range of possible solutions In altitude and velocity space. NASA's current production code, the DSMC Analysis Code (DAC), is well-established and based on Bird's 1994 algorithms written in Fortran 77 and has proven difficult to upgrade. A new DSMC code is being developed in the C++ programming language using object-oriented and data-oriented design paradigms to facilitate the inclusion of the recent improvements and future development activities. The development efforts on the new code, the Multiphysics Algorithm with Particles (MAP), are described, and performance comparisons are made with DAC.

Chemistry in water reactors

International Nuclear Information System (INIS)

Hermansson, H.P.; Norring, K.

1994-01-01

The international conference Chemistry in Water Reactors was arranged in Nice 24-27/04/1994 by the French Nuclear Energy Society. Examples of technical program areas were primary chemistry, operational experience, fundamental studies and new technology. Furthermore there were sessions about radiation field build-up, hydrogen chemistry, electro-chemistry, condensate polishing, decontamination and chemical cleaning. The conference gave the impression that there are some areas that are going to be more important than others during the next few years to come. Cladding integrity: Professor Ishigure from Japan emphasized that cladding integrity is a subject of great concern, especially with respect to waterside corrosion, deposition and release of crud. Chemistry control: The control of the iron/nickel concentration quotient seems to be not as important as previously considered. The future operation of a nuclear power plant is going to require a better control of the water chemistry than achievable today. One example of this is solubility control via regulation in BWR. Trends in USA: means an increasing use of hydrogen, minimization of SCC/IASCC, minimization of radiation fields by thorough chemistry control, guarding fuel integrity by minimization of cladding corrosion and minimization of flow assisted corrosion. Stellite replacement: The search for replacement materials will continue. Secondary side crevice chemistry: Modeling and practical studies are required to increase knowledge about the crevice chemistry and how it develops under plant operation conditions. Inhibitors: Inhibitors for IGSCC and IGA as well for the primary- (zinc) as for the secondary side (Ti) should be studied. The effects and mode of operation of the inhibitors should be documented. Chemical cleaning: of heat transfer surfaces will be an important subject. Prophylactic cleaning at regular intervals could be one mode of operation

Universal programmable quantum circuit schemes to emulate an operator

Energy Technology Data Exchange (ETDEWEB)

Daskin, Anmer; Grama, Ananth; Kollias, Giorgos [Department of Computer Science, Purdue University, West Lafayette, Indiana 47907 (United States); Kais, Sabre [Department of Chemistry, Department of Physics and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Qatar Environment and Energy Research Institute, Doha (Qatar)

2012-12-21

Unlike fixed designs, programmable circuit designs support an infinite number of operators. The functionality of a programmable circuit can be altered by simply changing the angle values of the rotation gates in the circuit. Here, we present a new quantum circuit design technique resulting in two general programmable circuit schemes. The circuit schemes can be used to simulate any given operator by setting the angle values in the circuit. This provides a fixed circuit design whose angles are determined from the elements of the given matrix-which can be non-unitary-in an efficient way. We also give both the classical and quantum complexity analysis for these circuits and show that the circuits require a few classical computations. For the electronic structure simulation on a quantum computer, one has to perform the following steps: prepare the initial wave function of the system; present the evolution operator U=e{sup -iHt} for a given atomic and molecular Hamiltonian H in terms of quantum gates array and apply the phase estimation algorithm to find the energy eigenvalues. Thus, in the circuit model of quantum computing for quantum chemistry, a crucial step is presenting the evolution operator for the atomic and molecular Hamiltonians in terms of quantum gate arrays. Since the presented circuit designs are independent from the matrix decomposition techniques and the global optimization processes used to find quantum circuits for a given operator, high accuracy simulations can be done for the unitary propagators of molecular Hamiltonians on quantum computers. As an example, we show how to build the circuit design for the hydrogen molecule.

Universal programmable quantum circuit schemes to emulate an operator

International Nuclear Information System (INIS)

Daskin, Anmer; Grama, Ananth; Kollias, Giorgos; Kais, Sabre

2012-01-01

Unlike fixed designs, programmable circuit designs support an infinite number of operators. The functionality of a programmable circuit can be altered by simply changing the angle values of the rotation gates in the circuit. Here, we present a new quantum circuit design technique resulting in two general programmable circuit schemes. The circuit schemes can be used to simulate any given operator by setting the angle values in the circuit. This provides a fixed circuit design whose angles are determined from the elements of the given matrix–which can be non-unitary–in an efficient way. We also give both the classical and quantum complexity analysis for these circuits and show that the circuits require a few classical computations. For the electronic structure simulation on a quantum computer, one has to perform the following steps: prepare the initial wave function of the system; present the evolution operator U=e −iHt for a given atomic and molecular Hamiltonian H in terms of quantum gates array and apply the phase estimation algorithm to find the energy eigenvalues. Thus, in the circuit model of quantum computing for quantum chemistry, a crucial step is presenting the evolution operator for the atomic and molecular Hamiltonians in terms of quantum gate arrays. Since the presented circuit designs are independent from the matrix decomposition techniques and the global optimization processes used to find quantum circuits for a given operator, high accuracy simulations can be done for the unitary propagators of molecular Hamiltonians on quantum computers. As an example, we show how to build the circuit design for the hydrogen molecule.

Ponzi scheme diffusion in complex networks

Science.gov (United States)

Zhu, Anding; Fu, Peihua; Zhang, Qinghe; Chen, Zhenyue

2017-08-01

Ponzi schemes taking the form of Internet-based financial schemes have been negatively affecting China's economy for the last two years. Because there is currently a lack of modeling research on Ponzi scheme diffusion within social networks yet, we develop a potential-investor-divestor (PID) model to investigate the diffusion dynamics of Ponzi scheme in both homogeneous and inhomogeneous networks. Our simulation study of artificial and real Facebook social networks shows that the structure of investor networks does indeed affect the characteristics of dynamics. Both the average degree of distribution and the power-law degree of distribution will reduce the spreading critical threshold and will speed up the rate of diffusion. A high speed of diffusion is the key to alleviating the interest burden and improving the financial outcomes for the Ponzi scheme operator. The zero-crossing point of fund flux function we introduce proves to be a feasible index for reflecting the fast-worsening situation of fiscal instability and predicting the forthcoming collapse. The faster the scheme diffuses, the higher a peak it will reach and the sooner it will collapse. We should keep a vigilant eye on the harm of Ponzi scheme diffusion through modern social networks.

Spotlight on medicinal chemistry education.

Science.gov (United States)

Pitman, Simone; Xu, Yao-Zhong; Taylor, Peter; Turner, Nicholas; Coaker, Hannah; Crews, Kasumi

2014-05-01

The field of medicinal chemistry is constantly evolving and it is important for medicinal chemists to develop the skills and knowledge required to succeed and contribute to the advancement of the field. Future Medicinal Chemistry spoke with Simone Pitman (SP), Yao-Zhong Xu (YX), Peter Taylor (PT) and Nick Turner (NT) from The Open University (OU), which offers an MSc in Medicinal Chemistry. In the interview, they discuss the MSc course content, online teaching, the future of medicinal chemistry education and The OU's work towards promoting widening participation. SP is a Qualifications Manager in the Science Faculty at The OU. She joined The OU in 1993 and since 1998 has been involved in the Postgraduate Medicinal Chemistry provision at The OU. YX is a Senior Lecturer in Bioorganic Chemistry at The OU. He has been with The OU from 2001, teaching undergraduate courses of all years and chairing the master's course on medicinal chemistry. PT is a Professor of Organic Chemistry at The OU and has been involved with the production and presentation of The OU courses in Science and across the university for over 30 years, including medicinal chemistry modules at postgraduate level. NT is a Lecturer in Analytical Science at The OU since 2009 and has been involved in the production of analytical sciences courses, as well as contributing to the presentation of a number of science courses including medicinal chemistry.

The Performance-based Funding Scheme of Universities

Directory of Open Access Journals (Sweden)

Juha KETTUNEN

2016-05-01

Full Text Available The purpose of this study is to analyse the effectiveness of the performance-based funding scheme of the Finnish universities that was adopted at the beginning of 2013. The political decision-makers expect that the funding scheme will create incentives for the universities to improve performance, but these funding schemes have largely failed in many other countries, primarily because public funding is only a small share of the total funding of universities. This study is interesting because Finnish universities have no tuition fees, unlike in many other countries, and the state allocates funding based on the objectives achieved. The empirical evidence of the graduation rates indicates that graduation rates increased when a new scheme was adopted, especially among male students, who have more room for improvement than female students. The new performance-based funding scheme allocates the funding according to the output-based indicators and limits the scope of strategic planning and the autonomy of the university. The performance-based funding scheme is transformed to the strategy map of the balanced scorecard. The new funding scheme steers universities in many respects but leaves the research and teaching skills to the discretion of the universities. The new scheme has also diminished the importance of the performance agreements between the university and the Ministry. The scheme increases the incentives for universities to improve the processes and structures in order to attain as much public funding as possible. It is optimal for the central administration of the university to allocate resources to faculties and other organisational units following the criteria of the performance-based funding scheme. The new funding scheme has made the universities compete with each other, because the total funding to the universities is allocated to each university according to the funding scheme. There is a tendency that the funding schemes are occasionally

A Classification Scheme for Literary Characters

Directory of Open Access Journals (Sweden)

Matthew Berry

2017-10-01

Full Text Available There is no established classification scheme for literary characters in narrative theory short of generic categories like protagonist vs. antagonist or round vs. flat. This is so despite the ubiquity of stock characters that recur across media, cultures, and historical time periods. We present here a proposal of a systematic psychological scheme for classifying characters from the literary and dramatic fields based on a modification of the Thomas-Kilmann (TK Conflict Mode Instrument used in applied studies of personality. The TK scheme classifies personality along the two orthogonal dimensions of assertiveness and cooperativeness. To examine the validity of a modified version of this scheme, we had 142 participants provide personality ratings for 40 characters using two of the Big Five personality traits as well as assertiveness and cooperativeness from the TK scheme. The results showed that assertiveness and cooperativeness were orthogonal dimensions, thereby supporting the validity of using a modified version of TK’s two-dimensional scheme for classifying characters.

How can conceptual schemes change teaching?

Science.gov (United States)

Wickman, Per-Olof

2012-03-01

Lundqvist, Almqvist and Östman describe a teacher's manner of teaching and the possible consequences it may have for students' meaning making. In doing this the article examines a teacher's classroom practice by systematizing the teacher's transactions with the students in terms of certain conceptual schemes, namely the epistemological moves, educational philosophies and the selective traditions of this practice. In connection to their study one may ask how conceptual schemes could change teaching. This article examines how the relationship of the conceptual schemes produced by educational researchers to educational praxis has developed from the middle of the last century to today. The relationship is described as having been transformed in three steps: (1) teacher deficit and social engineering, where conceptual schemes are little acknowledged, (2) reflecting practitioners, where conceptual schemes are mangled through teacher practice to aid the choices of already knowledgeable teachers, and (3) the mangling of the conceptual schemes by researchers through practice with the purpose of revising theory.

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

Theoretical chemistry in Belgium a topical collection from theoretical chemistry accounts

CERN Document Server

Champagne, Benoît; De Proft, Frank; Leyssens, Tom

2014-01-01

Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

The Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP): Overview and Description of Models, Simulations and Climate Diagnostics

Science.gov (United States)

Lamarque, J.-F.; Shindell, D. T.; Naik, V.; Plummer, D.; Josse, B.; Righi, M.; Rumbold, S. T.; Schulz, M.; Skeie, R. B.; Strode, S.;

An Arbitrated Quantum Signature Scheme without Entanglement*

International Nuclear Information System (INIS)

Li Hui-Ran; Luo Ming-Xing; Peng Dai-Yuan; Wang Xiao-Jun

2017-01-01

Several quantum signature schemes are recently proposed to realize secure signatures of quantum or classical messages. Arbitrated quantum signature as one nontrivial scheme has attracted great interests because of its usefulness and efficiency. Unfortunately, previous schemes cannot against Trojan horse attack and DoS attack and lack of the unforgeability and the non-repudiation. In this paper, we propose an improved arbitrated quantum signature to address these secure issues with the honesty arbitrator. Our scheme takes use of qubit states not entanglements. More importantly, the qubit scheme can achieve the unforgeability and the non-repudiation. Our scheme is also secure for other known quantum attacks . (paper)

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

Chemistry in Context: Analysis of Thematic Chemistry Videos Available Online

Science.gov (United States)

Christensson, Camilla; Sjöström, Jesper

2014-01-01

United Nations declared 2011 to be the International Year of Chemistry. The Swedish Chemical Society chose twelve themes, one for each month, to highlight the connection of chemistry with everyday life. Examples of themes were fashion, climate change, love, sports, communication, health issues, and food. From the themes various context-based…

Breeding schemes in reindeer husbandry

Directory of Open Access Journals (Sweden)

Lars Rönnegård

2003-04-01

Full Text Available The objective of the paper was to investigate annual genetic gain from selection (G, and the influence of selection on the inbreeding effective population size (Ne, for different possible breeding schemes within a reindeer herding district. The breeding schemes were analysed for different proportions of the population within a herding district included in the selection programme. Two different breeding schemes were analysed: an open nucleus scheme where males mix and mate between owner flocks, and a closed nucleus scheme where the males in non-selected owner flocks are culled to maximise G in the whole population. The theory of expected long-term genetic contributions was used and maternal effects were included in the analyses. Realistic parameter values were used for the population, modelled with 5000 reindeer in the population and a sex ratio of 14 adult females per male. The standard deviation of calf weights was 4.1 kg. Four different situations were explored and the results showed: 1. When the population was randomly culled, Ne equalled 2400. 2. When the whole population was selected on calf weights, Ne equalled 1700 and the total annual genetic gain (direct + maternal in calf weight was 0.42 kg. 3. For the open nucleus scheme, G increased monotonically from 0 to 0.42 kg as the proportion of the population included in the selection programme increased from 0 to 1.0, and Ne decreased correspondingly from 2400 to 1700. 4. In the closed nucleus scheme the lowest value of Ne was 1300. For a given proportion of the population included in the selection programme, the difference in G between a closed nucleus scheme and an open one was up to 0.13 kg. We conclude that for mass selection based on calf weights in herding districts with 2000 animals or more, there are no risks of inbreeding effects caused by selection.

Quantum Secure Communication Scheme with W State

International Nuclear Information System (INIS)

Wang Jian; Zhang Quan; Tang Chaojng

2007-01-01

We present a quantum secure communication scheme using three-qubit W state. It is unnecessary for the present scheme to use alternative measurement or Bell basis measurement. Compared with the quantum secure direct communication scheme proposed by Cao et al. [H.J. Cao and H.S. Song, Chin. Phys. Lett. 23 (2006) 290], in our scheme, the detection probability for an eavesdropper's attack increases from 8.3% to 25%. We also show that our scheme is secure for a noise quantum channel.

Optimum RA reactor fuelling scheme

International Nuclear Information System (INIS)

Strugar, P.; Nikolic, V.

1965-10-01

Ideal reactor refueling scheme can be achieved only by continuous fuel elements movement in the core, which is not possible, and thus approximations are applied. One of the possible approximations is discontinuous movement of fuel elements groups in radial direction. This enables higher burnup especially if axial exchange is possible. Analysis of refueling schemes in the RA reactor core and schemes with mixing the fresh and used fuel elements show that 30% higher burnup can be achieved by applying mixing, and even 40% if reactivity due to decrease in experimental space is taken into account. Up to now, mean burnup of 4400 MWd/t has been achieved, and the proposed fueling scheme with reduction of experimental space could achieve mean burnup of 6300 MWd/t which means about 25 Mwd/t per fuel channel [sr

Conference 'Chemistry of hydrides' Proceedings

International Nuclear Information System (INIS)

1991-07-01

This collection of thesis of conference of Chemistry hydrides presents the results of investigations concerning of base questions of chemistry of nonorganic hydrides, including synthesis questions, studying of physical and chemical properties, thermodynamics, analytical chemistry, investigation of structure, equilibriums in the systems of metal-hydrogen, behaviour of nonorganic hydrides in non-water mediums and applying investigations in the chemistry area and technology of nonorganic hydrides

Chemistry of americium

Energy Technology Data Exchange (ETDEWEB)

Schulz, W.W.

1976-01-01

Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

National Chemistry Teacher Safety Survey

Science.gov (United States)

Plohocki, Barbra A.

This study evaluated the status of secondary school instructional chemistry laboratory safety using a survey instrument which focused on Teacher background Information, Laboratory Safety Equipment, Facility Safety, General Safety, and a Safety Content Knowledge Survey. A fifty question survey instrument based on recent research and questions developed by the researcher was mailed to 500 secondary school chemistry teachers who participated in the 1993 one-week Woodrow Wilson National Fellowship Foundation Chemistry Institute conducted at Princeton University, New Jersey. The data received from 303 respondents was analyzed by t tests and Analysis of Variance (ANOVA). The level of significance for the study was set at ~\\ performance on the Safety Content Knowledge Survey and secondary school chemistry teachers who have had undergraduate and/or graduate safety training and those who have not had undergraduate and/or graduate safety training. Secondary school chemistry teachers who attended school district sponsored safety inservices did not score higher on the Safety Content Knowledge Survey than teachers who did not attend school district sponsored safety inservice sessions. The type of school district (urban, suburban, or rural) had no significant correlation to the type of laboratory safety equipment found in the instructional chemistry laboratory. The certification area (chemistry or other type of certificate which may or may not include chemistry) of the secondary school teacher had no significant correlation to the type of laboratory equipment found in the instructional chemistry laboratory. Overall, this study indicated a majority of secondary school chemistry teachers were interested in attending safety workshops applicable to chemistry safety. Throughout this research project, many teachers indicated they were not adequately instructed on the collegiate level in science safety and had to rely on common sense and self-study in their future teaching careers.

Green Chemistry

Energy Technology Data Exchange (ETDEWEB)

Collison, Melanie

2011-05-15

Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

PMEL contributions to the collaboration: SCALING THE EARTH SYSTEM GRID TO PETASCALE DATA for the DOE SciDACs Earth System Grid Center for Enabling Technologies

Energy Technology Data Exchange (ETDEWEB)

Hankin, Steve

2012-06-01

Drawing to a close after five years of funding from DOE's ASCR and BER program offices, the SciDAC-2 project called the Earth System Grid (ESG) Center for Enabling Technologies has successfully established a new capability for serving data from distributed centers. The system enables users to access, analyze, and visualize data using a globally federated collection of networks, computers and software. The ESG software now known as the Earth System Grid Federation (ESGF) has attracted a broad developer base and has been widely adopted so that it is now being utilized in serving the most comprehensive multi-model climate data sets in the world. The system is used to support international climate model intercomparison activities as well as high profile U.S. DOE, NOAA, NASA, and NSF projects. It currently provides more than 25,000 users access to more than half a petabyte of climate data (from models and from observations) and has enabled over a 1,000 scientific publications.

Survey of PWR water chemistry

International Nuclear Information System (INIS)

Gorman, J.

1989-02-01

This report surveys available information regarding primary and secondary water chemistries of pressurized water reactors (PWRs) and the impact of these water chemistries on reactor operation. The emphasis of the document is on aspects of water chemistry that affect the integrity of the primary pressure boundary and the radiation dose associated with maintenance and operation. The report provides an historical overview of the development of primary and secondary water chemistries, and describes practices currently being followed. Current problems and areas of research associated with water chemistry are described. Recommendations for further research are included. 183 refs., 9 figs., 19 tabs

Promoting Chemistry Learning through Undergraduate Work Experience in the Chemistry Lab: A Practical Approach

Science.gov (United States)

Yu, Hong-Bin

2015-01-01

Hiring undergraduate lab assistants in chemistry departments is common in college. However, few studies have focused on promoting undergraduate chemistry learning and thinking skills through this work experience in chemistry teaching laboratories. This article discusses the strategy we implemented in the lab assistant program. The…

Future perspectives of radiation chemistry

International Nuclear Information System (INIS)

Hatano, Yoshihiko

2009-01-01

Future perspectives of radiation chemistry are discussed by the analysis of the related information in detail as obtained from our recent surveys of publications and scientific meetings in radiation chemistry and its neighboring research fields, giving some examples, and are summarized as follows. (1) Traditionally important core-parts of radiation chemistry should be activated more. The corresponding research programs are listed in detail. (2) Research fields of physics, chemistry, biology, medicine, and technology in radiation research should interact more among them with each other. (3) Basic research of radiation chemistry should interact more with its applied research. (4) Interface research fields with radiation chemistry should be produced more with mutually common viewpoints and research interests between the two. Interfaces are not only applied research but also basic one.

Student’s scheme in solving mathematics problems

Science.gov (United States)

Setyaningsih, Nining; Juniati, Dwi; Suwarsono

2018-03-01

The purpose of this study was to investigate students’ scheme in solving mathematics problems. Scheme are data structures for representing the concepts stored in memory. In this study, we used it in solving mathematics problems, especially ratio and proportion topics. Scheme is related to problem solving that assumes that a system is developed in the human mind by acquiring a structure in which problem solving procedures are integrated with some concepts. The data were collected by interview and students’ written works. The results of this study revealed are students’ scheme in solving the problem of ratio and proportion as follows: (1) the content scheme, where students can describe the selected components of the problem according to their prior knowledge, (2) the formal scheme, where students can explain in construct a mental model based on components that have been selected from the problem and can use existing schemes to build planning steps, create something that will be used to solve problems and (3) the language scheme, where students can identify terms, or symbols of the components of the problem.Therefore, by using the different strategies to solve the problems, the students’ scheme in solving the ratio and proportion problems will also differ.

Areva's water chemistry guidebook with chemistry guidelines for next generation plants (AREVA EPRTM reactors)

International Nuclear Information System (INIS)

Ryckelynck, N.; Chahma, F.; Caris, N.; Guillermier, P.; Brun, C.; Caron-Charles, M.; Lamanna, L.; Fandrich, J.; Jaeggy, M.; Stellwag, B.

2012-09-01

Over the years, AREVA globally has maintained a strong expertise in LWR water chemistry and has been focused on minimizing short-term and long-term detrimental effects of chemistry for startup, operation and shutdown chemistry for all key plant components (material integrity and reliability, promote optimal thermal performances, etc.) and fuel. Also AREVA is focused on minimizing contamination and equipment/plant dose rates. Current Industry Guidelines (EPRI, VGB, etc.) provide utilities with selected chemistry guidance for the current operating fleet. With the next generation of PWR plants (e.g. AREVA's EPR TM reactor), materials of construction and design have been optimized based on industry lessons learned over the last 50+ years. To support the next generation design, AREVA water chemistry experts, have subsequently developed a Chemistry Guidebook with chemistry guidelines based on an analysis of the current international practices, plant operating experience, R and D data and calculation codes now available and/or developed by AREVA. The AREVA LWR chemistry Guidebook can be used to help resolve utility and safety authority questions and addresses regulation requirement questions/issues for next generation plants. The Chemistry Guidebook provides water chemistry guidelines for primary coolant, secondary side circuit and auxiliary systems during startup, normal operation and shutdown conditions. It also includes conditioning and impurity limits, along with monitoring locations and frequency requirements. The Chemistry Guidebook Guidelines will be used as a design reference for AREVA's next generation plants (e.g. EPR TM reactor). (authors)

hybrid modulation scheme fo rid modulation scheme fo dulation

African Journals Online (AJOL)

eobe

control technique is done through simulations and ex control technique .... HYBRID MODULATION SCHEME FOR CASCADED H-BRIDGE INVERTER CELLS. C. I. Odeh ..... and OR operations. Referring to ... MATLAB/SIMULINK environment.

Improving chemistry performance in CANDU plants

International Nuclear Information System (INIS)

Turner, C.; Guzonas, D.

2010-01-01

There is a strong interplay between coolant chemistry and materials selection in any nuclear power plant system. To achieve the design life of reactor components it is necessary to monitor and control relevant chemistry parameters, such as ionic conductivity, pH, concentrations of dissolved ions and redox species (e.g., hydrogen, hydrazine, oxygen) and the concentrations of suspended corrosion products. Chemistry specifications are set to achieve a balance between the sometimes conflicting requirements to minimize corrosion and radiological dose and to minimize operating and maintenance costs over the lifetime of the plant. For the past decade, Atomic Energy of Canada Limited (AECL) has taken a rigorous and disciplined approach to reviewing and updating all aspects of chemistry control in the CANDU® nuclear power plant (NPP). This approach has included proactively reviewing chemistry operating experience from existing CANDU® and other water-cooled NPPs worldwide to identify and address emerging issues, updating all of our chemistry control documentation to ensure that each chemistry parameter is linked to a specific requirement (e.g., reduce activity transport, monitor for condenser leak) and incorporating the latest results from our Research and Development (R and D) programs to ensure that all chemistry specifications are supported by a sound rationale. The results of this review and update have been incorporated into updated chemistry specifications and, in some cases, modified operating procedures for new and existing plants. In addition, recommendations have been made for design modifications to improve chemistry control in new build plants, especially during periods of shutdown and startup when chemistry control has traditionally been more challenging. Chemistry control in new-build CANDU® plants will rely increasingly on the use of on-line instrumentation interfaced directly to AECL's state-of-the-art chemistry monitoring, diagnostics and analysis

Towards Symbolic Encryption Schemes

DEFF Research Database (Denmark)

Ahmed, Naveed; Jensen, Christian D.; Zenner, Erik

2012-01-01

, namely an authenticated encryption scheme that is secure under chosen ciphertext attack. Therefore, many reasonable encryption schemes, such as AES in the CBC or CFB mode, are not among the implementation options. In this paper, we report new attacks on CBC and CFB based implementations of the well......Symbolic encryption, in the style of Dolev-Yao models, is ubiquitous in formal security models. In its common use, encryption on a whole message is specified as a single monolithic block. From a cryptographic perspective, however, this may require a resource-intensive cryptographic algorithm......-known Needham-Schroeder and Denning-Sacco protocols. To avoid such problems, we advocate the use of refined notions of symbolic encryption that have natural correspondence to standard cryptographic encryption schemes....

The quadruple bottom line: the advantages of incorporating Green Chemistry into the undergraduate chemistry major

Science.gov (United States)

Bodner, George M.

2017-08-01

When the author first became involved with the Green Chemistry movement, he noted that his colleagues in industry who were involved in one of the ACS Green Chemistry Institute® industrial roundtables emphasized the take-home message they described as the "triple bottom line." They noted that introducing Green Chemistry in industrial settings had economic, social, and environmental benefits. As someone who first went to school at age 5, and has been "going to school" most days for 65 years, it was easy for the author to see why introducing Green Chemistry into academics had similar beneficial effects within the context of economic, social and environmental domains at the college/university level. He was prepared to understand why faculty who had taught traditional courses often saw the advantage of incorporating Green Chemistry into the courses they teach. What was not as obvious is why students who were encountering chemistry for the first time were often equally passionate about the Green Chemistry movement. Recent attention has been paid, however, to a model that brings clarity to the hitherto vague term of "relevance" that might explain why integrating Green Chemistry into the undergraduate chemistry classroom can achieve a "quadruple bottom-line" for students because of potentially positive effects of adding a domain of "relevance" to the existing economic, social, and environmental domains.

System approach to chemistry course

OpenAIRE

Lorina E. Kruglova; Valentina G. Derendyaeva

2010-01-01

The article considers the raise of chemistry profile for engineers and constructors training, discloses the system approach to chemistry course and singles out the most important modules from the course of general chemistry for construction industry.

Setting aside transactions from pyramid schemes as impeachable ...

African Journals Online (AJOL)

These schemes, which are often referred to as pyramid or Ponzi schemes, are unsustainable operations and give rise to problems in the law of insolvency. Investors in these schemes are often left empty-handed upon the scheme's eventual collapse and insolvency. Investors who received pay-outs from the scheme find ...

Renormalization scheme-invariant perturbation theory

International Nuclear Information System (INIS)

Dhar, A.

1983-01-01

A complete solution to the problem of the renormalization scheme dependence of perturbative approximants to physical quantities is presented. An equation is derived which determines any physical quantity implicitly as a function of only scheme independent variables. (orig.)

Nonlinear secret image sharing scheme.

Science.gov (United States)

Shin, Sang-Ho; Lee, Gil-Je; Yoo, Kee-Young

2014-01-01

Over the past decade, most of secret image sharing schemes have been proposed by using Shamir's technique. It is based on a linear combination polynomial arithmetic. Although Shamir's technique based secret image sharing schemes are efficient and scalable for various environments, there exists a security threat such as Tompa-Woll attack. Renvall and Ding proposed a new secret sharing technique based on nonlinear combination polynomial arithmetic in order to solve this threat. It is hard to apply to the secret image sharing. In this paper, we propose a (t, n)-threshold nonlinear secret image sharing scheme with steganography concept. In order to achieve a suitable and secure secret image sharing scheme, we adapt a modified LSB embedding technique with XOR Boolean algebra operation, define a new variable m, and change a range of prime p in sharing procedure. In order to evaluate efficiency and security of proposed scheme, we use the embedding capacity and PSNR. As a result of it, average value of PSNR and embedding capacity are 44.78 (dB) and 1.74t⌈log2 m⌉ bit-per-pixel (bpp), respectively.

A new version of the CNRM Chemistry-Climate Model, CNRM-CCM: description and improvements from the CCMVal-2 simulations

Directory of Open Access Journals (Sweden)

M. Michou

2011-10-01

Full Text Available This paper presents a new version of the Météo-France CNRM Chemistry-Climate Model, so-called CNRM-CCM. It includes some fundamental changes from the previous version (CNRM-ACM which was extensively evaluated in the context of the CCMVal-2 validation activity. The most notable changes concern the radiative code of the GCM, and the inclusion of the detailed stratospheric chemistry of our Chemistry-Transport model MOCAGE on-line within the GCM. A 47-yr transient simulation (1960–2006 is the basis of our analysis. CNRM-CCM generates satisfactory dynamical and chemical fields in the stratosphere. Several shortcomings of CNRM-ACM simulations for CCMVal-2 that resulted from an erroneous representation of the impact of volcanic aerosols as well as from transport deficiencies have been eliminated.

Remaining problems concern the upper stratosphere (5 to 1 hPa where temperatures are too high, and where there are biases in the NO₂, N₂O₅ and O₃ mixing ratios. In contrast, temperatures at the tropical tropopause are too cold. These issues are addressed through the implementation of a more accurate radiation scheme at short wavelengths. Despite these problems we show that this new CNRM CCM is a useful tool to study chemistry-climate applications.

PWR secondary water chemistry study

International Nuclear Information System (INIS)

Pearl, W.L.; Sawochka, S.G.

1977-02-01

Several types of corrosion damage are currently chronic problems in PWR recirculating steam generators. One probable cause of damage is a local high concentration of an aggressive chemical even though only trace levels are present in feedwater. A wide variety of trace chemicals can find their way into feedwater, depending on the sources of condenser cooling water and the specific feedwater treatment. In February 1975, Nuclear Water and Waste Technology Corporation (NWT), was contracted to characterize secondary system water chemistry at five operating PWRs. Plants were selected to allow effects of cooling water chemistry and operating history on steam generator corrosion to be evaluated. Calvert Cliffs 1, Prairie Island 1 and 2, Surry 2, and Turkey Point 4 were monitored during the program. Results to date in the following areas are summarized: (1) plant chemistry variations during normal operation, transients, and shutdowns; (2) effects of condenser leakage on steam generator chemistry; (3) corrosion product transport during all phases of operation; (4) analytical prediction of chemistry in local areas from bulk water chemistry measurements; and (5) correlation of corrosion damage to chemistry variation

Good governance for pension schemes

CERN Document Server

Thornton, Paul

2011-01-01

Regulatory and market developments have transformed the way in which UK private sector pension schemes operate. This has increased demands on trustees and advisors and the trusteeship governance model must evolve in order to remain fit for purpose. This volume brings together leading practitioners to provide an overview of what today constitutes good governance for pension schemes, from both a legal and a practical perspective. It provides the reader with an appreciation of the distinctive characteristics of UK occupational pension schemes, how they sit within the capital markets and their social and fiduciary responsibilities. Providing a holistic analysis of pension risk, both from the trustee and the corporate perspective, the essays cover the crucial role of the employer covenant, financing and investment risk, developments in longevity risk hedging and insurance de-risking, and best practice scheme administration.

Analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

1989-02-15

This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

Analytical chemistry

International Nuclear Information System (INIS)

Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

1989-02-01

This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

Life's Biological Chemistry: A Destiny or Destination Starting from Prebiotic Chemistry?

Science.gov (United States)

Krishnamurthy, Ramanarayanan

2018-06-05

Research into understanding the origins -and evolution- of life has long been dominated by the concept of taking clues from extant biology and extrapolating its molecules and pathways backwards in time. This approach has also guided the search for solutions to the problem of how contemporary biomolecules would have arisen directly from prebiotic chemistry on early earth. However, the continuing difficulties in finding universally convincing solutions in connecting prebiotic chemistry to biological chemistry should give us pause, and prompt us to rethink this concept of treating extant life's chemical processes as the sole end goal and, therefore, focusing only -and implicitly- on the respective extant chemical building blocks. Rather, it may be worthwhile "to set aside the goal" and begin with what would have been plausible prebiotic reaction mixtures (which may have no obvious or direct connection to life's chemical building blocks and processes) - and allow their chemistries and interactions, under different geochemical constraints, to guide and illuminate as to what processes and systems can emerge. Such a conceptual approach gives rise to the prospect that chemistry of life-as-we-know-it is not the only result (not a "destiny"), but one that has emerged among many potential possibilities (a "destination"). This postulate, in turn, could impact the way we think about chemical signatures and criteria used in the search for alternative and extraterrestrial "life". As a bonus, we may discover the chemistries and pathways naturally that led to the emergence of life as we know it. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gas dynamics, optics and chemistry of an aircraft condensable wake

Energy Technology Data Exchange (ETDEWEB)

Grinats, E.S.; Kashevarov, A.V.; Stasenko, A.L. [Central Aerohydrodynamic Inst., Zhukovsky (Russian Federation)

1997-12-31

Prediction of the properties of a jet-and-vortex wake from an individual airplane is of great interest as the first step to assessment of the possible global changes in the atmosphere due to the world civil aviation. Several mathematical models of the different regions of an aircraft wake and corresponding numerical results are presented. The axisymmetric exhaust jet was simulated on the base of the well-known k-{epsilon} model of turbulence. Jet chemistry was investigated on the base of kinetic scheme of the gas phase reactions of enriched by including chemisorption by water droplets of several species and by taking into account of the photochemical processes. In the 3D far wake model, the numerical results for distribution of species exhausted by the engines and entrapped by the velocity field of two parallel vortices are shown. (R.P.) 7 refs.

Gas dynamics, optics and chemistry of an aircraft condensable wake

Energy Technology Data Exchange (ETDEWEB)

Grinats, E S; Kashevarov, A V; Stasenko, A L [Central Aerohydrodynamic Inst., Zhukovsky (Russian Federation)

1998-12-31

Prediction of the properties of a jet-and-vortex wake from an individual airplane is of great interest as the first step to assessment of the possible global changes in the atmosphere due to the world civil aviation. Several mathematical models of the different regions of an aircraft wake and corresponding numerical results are presented. The axisymmetric exhaust jet was simulated on the base of the well-known k-{epsilon} model of turbulence. Jet chemistry was investigated on the base of kinetic scheme of the gas phase reactions of enriched by including chemisorption by water droplets of several species and by taking into account of the photochemical processes. In the 3D far wake model, the numerical results for distribution of species exhausted by the engines and entrapped by the velocity field of two parallel vortices are shown. (R.P.) 7 refs.

Symmetric weak ternary quantum homomorphic encryption schemes

Science.gov (United States)

Wang, Yuqi; She, Kun; Luo, Qingbin; Yang, Fan; Zhao, Chao

2016-03-01

Based on a ternary quantum logic circuit, four symmetric weak ternary quantum homomorphic encryption (QHE) schemes were proposed. First, for a one-qutrit rotation gate, a QHE scheme was constructed. Second, in view of the synthesis of a general 3 × 3 unitary transformation, another one-qutrit QHE scheme was proposed. Third, according to the one-qutrit scheme, the two-qutrit QHE scheme about generalized controlled X (GCX(m,n)) gate was constructed and further generalized to the n-qutrit unitary matrix case. Finally, the security of these schemes was analyzed in two respects. It can be concluded that the attacker can correctly guess the encryption key with a maximum probability pk = 1/33n, thus it can better protect the privacy of users’ data. Moreover, these schemes can be well integrated into the future quantum remote server architecture, and thus the computational security of the users’ private quantum information can be well protected in a distributed computing environment.

Spiers Memorial Lecture. Quantum chemistry: the first seventy years.

Science.gov (United States)

McWeeny, Roy

2007-01-01

Present-day theoretical chemistry is rooted in Quantum Mechanics. The aim of the opening lecture is to trace the evolution of Quantum Chemistry from the Heitler-London paper of 1927 up to the end of the last century, emphasizing concepts rather than calculations. The importance of symmetry concepts became evident in the early years: one thinks of the necessary anti-symmetry of the wave function under electron permutations, the Pauli principle, the aufbau scheme, and the classification of spectroscopic states. But for chemists perhaps the key concept is embodied in the Hellmann-Feynman theorem, which provides a pictorial interpretation of chemical bonding in terms of classical electrostatic forces exerted on the nuclei by the electron distribution. Much of the lecture is concerned with various electron distribution functions--the electron density, the current density, the spin density, and other 'property densities'--and with their use in interpreting both molecular structure and molecular properties. Other topics touched upon include Response theory and propagators; Chemical groups in molecules and the group function approach; Atoms in molecules and Bader's theory; Electron correlation and the 'pair function'. Finally, some long-standing controversies, in particular the EPR paradox, are re-examined in the context of molecular dissociation. By admitting the concept of symmetry breaking, along with the use of the von Neumann-Dirac statistical ensemble, orthodox quantum mechanics can lead to a convincing picture of the dissociation mechanism.

Gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R]: molecular design, synthetic organic chemistry reactions, and antineoplastic cytotoxic potency in populations of pulmonary adenocarcinoma (A549).

Science.gov (United States)

Coyne, Cody P; Narayanan, Lakshmi

2017-03-01

One molecular-based approach that increases potency and reduces dose-limited sequela is the implementation of selective 'targeted' delivery strategies for conventional small molecular weight chemotherapeutic agents. Descriptions of the molecular design and organic chemistry reactions that are applicable for synthesis of covalent gemcitabine-monophosphate immunochemotherapeutics have to date not been reported. The covalent immunopharmaceutical, gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R] was synthesized by reacting gemcitabine with a carbodiimide reagent to form a gemcitabine carbodiimide phosphate ester intermediate which was subsequently reacted with imidazole to create amine-reactive gemcitabine-(5'-phosphorylimidazolide) intermediate. Monoclonal anti-IGF-1R immunoglobulin was combined with gemcitabine-(5'-phosphorylimidazolide) resulting in the synthetic formation of gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R]. The gemcitabine molar incorporation index for gemcitabine-(5'-phosphoramidate)-[anti-IGF-R1] was 2.67:1. Cytotoxicity Analysis - dramatic increases in antineoplastic cytotoxicity were observed at and between the gemcitabine-equivalent concentrations of 10 -9  M and 10 -7  M where lethal cancer cell death increased from 0.0% to a 93.1% maximum (100.% to 6.93% residual survival), respectively. Advantages of the organic chemistry reactions in the multistage synthesis scheme for gemcitabine-(5'-phosphoramidate)-[anti-IGF-1R] include their capacity to achieve high chemotherapeutic molar incorporation ratios; option of producing an amine-reactive chemotherapeutic intermediate that can be preserved for future synthesis applications; and non-dedicated organic chemistry reaction scheme that allows substitutions of either or both therapeutic moieties, and molecular delivery platforms. © 2016 The Authors Chemical Biology & Drug Design Published by John Wiley & Sons Ltd.

Chemistry for Whom? Gender Awareness in Teaching and Learning Chemistry

Science.gov (United States)

Andersson, Kristina

2017-01-01

Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article "Chemistry inside an epistemological community box!--Discursive exclusions and inclusions in the…

Labelling schemes: From a consumer perspective

DEFF Research Database (Denmark)

Juhl, Hans Jørn; Stacey, Julia

2000-01-01

Labelling of food products attracts a lot of political attention these days. As a result of a number of food scandals, most European countries have acknowledged the need for more information and better protection of consumers. Labelling schemes are one way of informing and guiding consumers....... However, initiatives in relation to labelling schemes seldom take their point of departure in consumers' needs and expectations; and in many cases, the schemes are defined by the institutions guaranteeing the label. It is therefore interesting to study how consumers actually value labelling schemes....... A recent MAPP study has investigated the value consumers attach the Government-controlled labels 'Ø-mærket' and 'Den Blå Lup' and the private supermarket label 'Mesterhakket' when they purchase minced meat. The results reveal four consumer segments that use labelling schemes for food products very...

Environmental Green Chemistry Applications of Nanoporous Carbons

Energy Technology Data Exchange (ETDEWEB)

Matos, J.; Garcia, A; Poon, P

2010-01-01

Influence of surface properties of nanoporous carbons on activity and selectivity during the photooxidation of 4-chlorophenol on UV-irradiated TiO{sub 2} was performed. Characterization by infrared spectroscopy, X-ray photoelectronic spectroscopy and X-ray absorption near edge structure spectroscopy confirm the presence of a contact interface between both solids and suggest the coordination of some functional organic groups of the carbon surface, mainly ethers and carboxylic acids, to metallic centre Ti{sup +4} in TiO{sub 2}. Changes in surface pH of carbons from basic to neutral or acid remarkably increase the production of 4-chlorocathecol by a factor of 22 on TiO{sub 2}-Carbon in comparison of TiO{sub 2} alone. A scheme of interaction between TiO{sub 2} and carbon is proposed to the increased photoactivity of TiO{sub 2} and a reaction mechanism for the different intermediate products detected is also proposed. Results showed that TiO{sub 2}-Carbon can be used as an alternative photocatalyst for environmental green chemistry and selective organic synthesis applications.

Reaction-Map of Organic Chemistry

Science.gov (United States)

Murov, Steven

2007-01-01

The Reaction-Map of Organic Chemistry lists all the most commonly studied reactions in organic chemistry on one page. The discussed Reaction-Map will act as another learning aide for the students, making the study of organic chemistry much easier.

Chemistry and Nanoscience Research | NREL

Science.gov (United States)

Chemistry and Nanoscience Center at NREL investigates materials and processes for converting renewable and new technologies. NREL's primary research in the chemistry and nanoscience center includes the Electrochemical Engineering and Materials Chemistry Providing a knowledge base in materials science covering

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

Renato S. Bastos; Universidade Federal do Rio de Janeiro; Bárbara V. da Silva; Universidade Federal do Rio de Janeiro; Angelo C. Pinto; Universidade Federal do Rio de Janeiro

2009-01-01

Neste artigo apresentamos as publicações brasileiras, os pesquisadores envolvidos, a contribuição por estado da federação e as principais doenças estudadas no período de 1998 a 2008 nas revistas Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry.  DOI: 10.5935/1984-6835.20090009  In this article we present the Brazilian publications, the research groups involved, the contributions per st...

Turkish Chemistry Teachers' Views about Secondary School Chemistry Curriculum: A Perspective from Environmental Education

Science.gov (United States)

Icoz, Omer Faruk

2015-01-01

Teachers' views about environmental education (EE) have been regarded as one of the most important concerns in education for sustainability. In secondary school chemistry curriculum, there are several subjects about EE embedded in the chemistry subjects in Turkey. This study explores three chemistry teachers' views about to what extent the…

Fuel Chemistry Research | Transportation Research | NREL

Science.gov (United States)

Fuel Chemistry Research Fuel Chemistry Research Photo of a hand holding a beaker containing a clear oils. Photo by Dennis Schroeder, NREL NREL's fuel chemistry research explores how biofuels, advanced , emissions control catalysts, and infrastructure materials. Results from NREL's fuel chemistry studies feed

Analysis of central and upwind compact schemes

International Nuclear Information System (INIS)

Sengupta, T.K.; Ganeriwal, G.; De, S.

2003-01-01

Central and upwind compact schemes for spatial discretization have been analyzed with respect to accuracy in spectral space, numerical stability and dispersion relation preservation. A von Neumann matrix spectral analysis is developed here to analyze spatial discretization schemes for any explicit and implicit schemes to investigate the full domain simultaneously. This allows one to evaluate various boundary closures and their effects on the domain interior. The same method can be used for stability analysis performed for the semi-discrete initial boundary value problems (IBVP). This analysis tells one about the stability for every resolved length scale. Some well-known compact schemes that were found to be G-K-S and time stable are shown here to be unstable for selective length scales by this analysis. This is attributed to boundary closure and we suggest special boundary treatment to remove this shortcoming. To demonstrate the asymptotic stability of the resultant schemes, numerical solution of the wave equation is compared with analytical solution. Furthermore, some of these schemes are used to solve two-dimensional Navier-Stokes equation and a computational acoustic problem to check their ability to solve problems for long time. It is found that those schemes, that were found unstable for the wave equation, are unsuitable for solving incompressible Navier-Stokes equation. In contrast, the proposed compact schemes with improved boundary closure and an explicit higher-order upwind scheme produced correct results. The numerical solution for the acoustic problem is compared with the exact solution and the quality of the match shows that the used compact scheme has the requisite DRP property

Titanocene sulfide chemistry

Czech Academy of Sciences Publication Activity Database

Horáček, Michal

2016-01-01

Roč. 314, MAY 2016 (2016), s. 83-102 ISSN 0010-8545 R&D Projects: GA ČR(CZ) GAP207/12/2368 Institutional support: RVO:61388955 Keywords : titanocene sulfide chemistry * photolysis * titanocene hydrosulfides Ti-(SH)n Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.324, year: 2016

Chemistry and Biology

Science.gov (United States)

Wigston, David L.

1970-01-01

Discusses the relationship between chemisty and biology in the science curriculum. Points out the differences in perception of the disciplines, which the physical scientists favoring reductionism. Suggests that biology departments offer a special course for chemistry students, just as the chemistry departments have done for biology students.…

Understanding the Impact of a General Chemistry Course on Students' Transition to Organic Chemistry

Science.gov (United States)

Collins-Webb, Alexandra; Jeffery, Kathleen A.; Sweeder, Ryan D.

2016-01-01

The move from general chemistry to organic chemistry can be a challenge for students as it often involves a transition from quantitatively-oriented to mechanistically-oriented thinking. This study found that the design of the general chemistry course can change the student experience of this transition as assessed by a reflective survey. The…

Mathematical problems for chemistry students

CERN Document Server

Pota, Gyorgy

2011-01-01

Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistrystudents in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialistsof the chemistry-related fields (physicists, mathematicians, biologists, etc.) intothe world of the chemical applications.Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others we

42 CFR 493.839 - Condition: Chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Chemistry. 493.839 Section 493.839... These Tests § 493.839 Condition: Chemistry. The specialty of chemistry includes for the purposes of proficiency testing the subspecialties of routine chemistry, endocrinology, and toxicology. ...

Virtually going green: The role of quantum computational chemistry in reducing pollution and toxicity in chemistry

Science.gov (United States)

Stevens, Jonathan

2017-07-01

Continuing advances in computational chemistry has permitted quantum mechanical calculation to assist in research in green chemistry and to contribute to the greening of chemical practice. Presented here are recent examples illustrating the contribution of computational quantum chemistry to green chemistry, including the possibility of using computation as a green alternative to experiments, but also illustrating contributions to greener catalysis and the search for greener solvents. Examples of applications of computation to ambitious projects for green synthetic chemistry using carbon dioxide are also presented.

Chemistry Cube Game - Exploring Basic Principles of Chemistry by Turning Cubes.

Science.gov (United States)

Müller, Markus T

2018-02-01

The Chemistry Cube Game invites students at secondary school level 1 and 2 to explore basic concepts of chemistry in a playful way, either as individuals or in teams. It consists of 15 different cubes, 9 cubes for different acids, their corresponding bases and precursors, and 6 cubes for different reducing and oxidising agents. The cubes can be rotated in those directions indicated. Each 'allowed' vertical or horizontal rotation of 90° stands for a chemical reaction or a physical transition. Two different games and playing modes are presented here: First, redox chemistry is introduced for the formation of salts from elementary metals and non-metals. Second, the speciation of acids and bases at different pH-values is shown. The cubes can be also used for games about environmental chemistry such as the carbon and sulphur cycle, covering the topic of acid rain, or the nitrogen cycle including ammoniac synthesis, nitrification and de-nitrification.

SPECIAL ISSUE DEDICATED TO THE 10TH ANNIVERSARY OF THE CHEMISTRY JOURNAL OF MOLDOVA. GENERAL, INDUSTRIAL AND ECOLOGICAL CHEMISTRY

OpenAIRE

Gheorghe DUCA

2016-01-01

Ten years ago, in 2006, CHEMISTRY JOURNAL OF MOLDOVA. General, Industrial and Ecological Chemistry was founded by the Institute of Chemistry of Academy of Sciences of Moldova and Moldova State University. Chemistry Journal of Moldova is an open access, international indexed and peer-reviewed journal that publishes papers of high quality containing original results in the areas of Chemical Sciences, such as analytical chemistry, ecological chemistry, food chemistry, industrial chem...

Data acquisition and control system for the ECE imaging diagnostic on the EAST tokamak

Science.gov (United States)

Luo, C.; Lan, T.; Zhu, Y.; Xie, J.; Gao, B.; Liu, W.; Yu, C.; Milne, P. G.; Domier, C. W.; Luhmann, N. C.

2017-06-01

A 384-channel electron cyclotron emission imaging (ECEI) system is installed on the experimental advanced superconducting tokamak (EAST) and 7-gigabyte data is produced for each regular discharge of a 10-second pulse. The data acquisition and control (DAC) system for the EAST ECEI diagnostics covers the large data production and embeds the ability to report the data quality instantly after the discharge. The symmetric routing design of the timing signal distributions among the 384 channels provides a low-cost solution to the synchronization of a large number of channels. The application of the load-balance bond service largely reduces the configuration difficulty and the cost in the high-speed data transferring tasks. Benefiting from the various kinds of hardware units with dedicated functionalities, an automated and user interactive DAC work flow is achieved, including the pre-selections of the automation scheme and the observation region, 384-channel data acquisition and local caching, post-discharge imaging data quality evaluation, remote system status monitoring, and inter-discharge imaging system event handling. The system configuration in a specific physics experiment is further optimized through the associated operating software which is enhanced by the input of the tokamak operation status and the region of interest (ROI) from other diagnostics. The DAC system is based on a modularized design and scalable to the long-pulse discharges in the EAST tokamak.

Data acquisition and control system for the ECE imaging diagnostic on the EAST tokamak

International Nuclear Information System (INIS)

Luo, C.; Lan, T.; Xie, J.; Gao, B.; Liu, W.; Yu, C.; Zhu, Y.; Domier, C.W.; Luhmann, N.C.; Milne, P.G.

2017-01-01

A 384-channel electron cyclotron emission imaging (ECEI) system is installed on the experimental advanced superconducting tokamak (EAST) and 7-gigabyte data is produced for each regular discharge of a 10-second pulse. The data acquisition and control (DAC) system for the EAST ECEI diagnostics covers the large data production and embeds the ability to report the data quality instantly after the discharge. The symmetric routing design of the timing signal distributions among the 384 channels provides a low-cost solution to the synchronization of a large number of channels. The application of the load-balance bond service largely reduces the configuration difficulty and the cost in the high-speed data transferring tasks. Benefiting from the various kinds of hardware units with dedicated functionalities, an automated and user interactive DAC work flow is achieved, including the pre-selections of the automation scheme and the observation region, 384-channel data acquisition and local caching, post-discharge imaging data quality evaluation, remote system status monitoring, and inter-discharge imaging system event handling. The system configuration in a specific physics experiment is further optimized through the associated operating software which is enhanced by the input of the tokamak operation status and the region of interest (ROI) from other diagnostics. The DAC system is based on a modularized design and scalable to the long-pulse discharges in the EAST tokamak.

A Novel Iris Segmentation Scheme

Directory of Open Access Journals (Sweden)

Chen-Chung Liu

2014-01-01

Full Text Available One of the key steps in the iris recognition system is the accurate iris segmentation from its surrounding noises including pupil, sclera, eyelashes, and eyebrows of a captured eye-image. This paper presents a novel iris segmentation scheme which utilizes the orientation matching transform to outline the outer and inner iris boundaries initially. It then employs Delogne-Kåsa circle fitting (instead of the traditional Hough transform to further eliminate the outlier points to extract a more precise iris area from an eye-image. In the extracted iris region, the proposed scheme further utilizes the differences in the intensity and positional characteristics of the iris, eyelid, and eyelashes to detect and delete these noises. The scheme is then applied on iris image database, UBIRIS.v1. The experimental results show that the presented scheme provides a more effective and efficient iris segmentation than other conventional methods.

Analysis of Program Obfuscation Schemes with Variable Encoding Technique

Science.gov (United States)

Fukushima, Kazuhide; Kiyomoto, Shinsaku; Tanaka, Toshiaki; Sakurai, Kouichi

Program analysis techniques have improved steadily over the past several decades, and software obfuscation schemes have come to be used in many commercial programs. A software obfuscation scheme transforms an original program or a binary file into an obfuscated program that is more complicated and difficult to analyze, while preserving its functionality. However, the security of obfuscation schemes has not been properly evaluated. In this paper, we analyze obfuscation schemes in order to clarify the advantages of our scheme, the XOR-encoding scheme. First, we more clearly define five types of attack models that we defined previously, and define quantitative resistance to these attacks. Then, we compare the security, functionality and efficiency of three obfuscation schemes with encoding variables: (1) Sato et al.'s scheme with linear transformation, (2) our previous scheme with affine transformation, and (3) the XOR-encoding scheme. We show that the XOR-encoding scheme is superior with regard to the following two points: (1) the XOR-encoding scheme is more secure against a data-dependency attack and a brute force attack than our previous scheme, and is as secure against an information-collecting attack and an inverse transformation attack as our previous scheme, (2) the XOR-encoding scheme does not restrict the calculable ranges of programs and the loss of efficiency is less than in our previous scheme.

Candidate coffee reference material for element content: production and certification schemes adopted at CENA/USP

Energy Technology Data Exchange (ETDEWEB)

Tagliaferro, Fabio Sileno; Fernandes, Elisabete A. de Nadai; Bacchi, Marcio Arruda; Franca, Elvis Joacir de [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil). Lab. de Radioisotopos], e-mail: fabiotag@cena.usp.br, e-mail: lis@cena.usp.br, e-mail: mabacchi@cena.usp.br, e-mail: ejfranca@cena.usp.br; Bode, Peter; Bacchi, Marcio Arruda; Franca, Elvis Joacir de [Delft University of Technology, Delft (Netherlands). Interfaculty Reactor Inst.], e-mail: P.Bode@iri.tudelft.nl

2003-07-01

Certified reference materials (CRMs) play a fundamental role in analytical chemistry establishing the traceability of measurement results and assuring accuracy and reliability. In spite of the huge importance of measurements in the food sector, Brazil does not produce CRMs to supply the demand. Consequently the acquisition of CRMs depends on imports at high costs. The coffee sector needs CRMs, however there is no material that represents the coffee composition. Since 1998, the Laboratorio de Radioisotopos (LRi) of CENA/USP has been involved in analysis of coffee. During this period, knowledge has been accumulated about several aspects of coffee, such as system of cultivation, elemental composition, homogeneity of the material, possible contaminants and physical properties of beans. Concomitantly, LRi has concentrated efforts in the field of metrology in chemistry, and now all this expertise is being used as the basis for the production of a coffee certified reference material (CRM) for inorganic element content. The scheme developed for the preparation and certification of coffee RM relies on the ISO Guides 34 and 35. The approaches for selection, collection and preparation of the material, moisture determination method, homogeneity testing, certification and long-term stability testing are discussed and a time frame for the expected accomplishments is provided. (author)

Candidate coffee reference material for element content: production and certification schemes adopted at CENA/USP

International Nuclear Information System (INIS)

Tagliaferro, Fabio Sileno; Fernandes, Elisabete A. de Nadai; Bacchi, Marcio Arruda; Franca, Elvis Joacir de; Bode, Peter; Bacchi, Marcio Arruda; Franca, Elvis Joacir de

2003-01-01

Certified reference materials (CRMs) play a fundamental role in analytical chemistry establishing the traceability of measurement results and assuring accuracy and reliability. In spite of the huge importance of measurements in the food sector, Brazil does not produce CRMs to supply the demand. Consequently the acquisition of CRMs depends on imports at high costs. The coffee sector needs CRMs, however there is no material that represents the coffee composition. Since 1998, the Laboratorio de Radioisotopos (LRi) of CENA/USP has been involved in analysis of coffee. During this period, knowledge has been accumulated about several aspects of coffee, such as system of cultivation, elemental composition, homogeneity of the material, possible contaminants and physical properties of beans. Concomitantly, LRi has concentrated efforts in the field of metrology in chemistry, and now all this expertise is being used as the basis for the production of a coffee certified reference material (CRM) for inorganic element content. The scheme developed for the preparation and certification of coffee RM relies on the ISO Guides 34 and 35. The approaches for selection, collection and preparation of the material, moisture determination method, homogeneity testing, certification and long-term stability testing are discussed and a time frame for the expected accomplishments is provided. (author)

Efficient multiparty quantum-secret-sharing schemes

International Nuclear Information System (INIS)

Xiao Li; Deng Fuguo; Long Guilu; Pan Jianwei

2004-01-01

In this work, we generalize the quantum-secret-sharing scheme of Hillery, Buzek, and Berthiaume [Phys. Rev. A 59, 1829 (1999)] into arbitrary multiparties. Explicit expressions for the shared secret bit is given. It is shown that in the Hillery-Buzek-Berthiaume quantum-secret-sharing scheme the secret information is shared in the parity of binary strings formed by the measured outcomes of the participants. In addition, we have increased the efficiency of the quantum-secret-sharing scheme by generalizing two techniques from quantum key distribution. The favored-measuring-basis quantum-secret-sharing scheme is developed from the Lo-Chau-Ardehali technique [H. K. Lo, H. F. Chau, and M. Ardehali, e-print quant-ph/0011056] where all the participants choose their measuring-basis asymmetrically, and the measuring-basis-encrypted quantum-secret-sharing scheme is developed from the Hwang-Koh-Han technique [W. Y. Hwang, I. G. Koh, and Y. D. Han, Phys. Lett. A 244, 489 (1998)] where all participants choose their measuring basis according to a control key. Both schemes are asymptotically 100% in efficiency, hence nearly all the Greenberger-Horne-Zeilinger states in a quantum-secret-sharing process are used to generate shared secret information

Atmospheric chemistry and climate

OpenAIRE

Satheesh, SK

2012-01-01

Atmospheric chemistry is a branch of atmospheric science where major focus is the composition of the Earth's atmosphere. Knowledge of atmospheric composition is essential due to its interaction with (solar and terrestrial) radiation and interactions of atmospheric species (gaseous and particulate matter) with living organisms. Since atmospheric chemistry covers a vast range of topics, in this article the focus is on the chemistry of atmospheric aerosols with special emphasis on the Indian reg...

Aqueous Solution Chemistry of Plutonium

Energy Technology Data Exchange (ETDEWEB)

Clark, David L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2014-01-28

Things I have learned working with plutonium: Chemistry of plutonium is complex; Redox equilibria make Pu solution chemistry particularly challenging in the absence of complexing ligands; Understanding this behavior is key to successful Pu chemistry experiments; There is no suitable chemical analog for plutonium.

Sign me up! Determining motivation for high school chemistry students enrolling in a second year chemistry course

Science.gov (United States)

Camarena, Nilda N.

A sample of 108 Pre-AP Chemistry students in Texas participated in a study to determine motivational factors for enrolling in AP Chemistry and University Chemistry. The factors measured were academic attitude, perceptions of chemistry, confidence level in chemistry, and expectations/experiences in the chemistry class. Students completed two questionnaires, one at the beginning of the year and one at the end. Four high school campuses from two school districts in Texas participated. Two campuses were traditional high schools and two were smaller magnet schools. The results from this study are able to confirm that there are definite correlations between academic attitudes, perceptions, confidence level, and experiences and a student's plans to enroll in AP and University Chemistry. The type of school as well as the student's gender seemed to have an influence on a student's plan to enroll in a second year of chemistry.

Water chemistry regimes for VVER-440 units: water chemistry influence on fuel cladding behaviour

International Nuclear Information System (INIS)

Zmitko, M.

1999-01-01

In this lecture next problems of water chemistry influence on fuel cladding behaviour for VVER-440 units are presented: primary coolant technologies; water chemistry specification and control; fuel integrity considerations; zirconium alloys cladding corrosion (corrosion versus burn-up; water chemistry effect; crud deposition; hydrogen absorption; axial offset anomaly); alternatives for the primary coolant regimes

Puzzling through General Chemistry: A Light-Hearted Approach to Engaging Students with Chemistry Content

Science.gov (United States)

Boyd, Susan L.

2007-01-01

Several puzzles are designed to be used by chemistry students as learning tools and teach them basic chemical concepts. The topics of the puzzles are based on the chapters from Chemistry, The Central Science used in general chemistry course and the puzzles are in various forms like crosswords, word searches, number searches, puzzles based on…

Gamma spectrometry; level schemes

International Nuclear Information System (INIS)

Blachot, J.; Bocquet, J.P.; Monnand, E.; Schussler, F.

1977-01-01

The research presented dealt with: a new beta emitter, isomer of 131 Sn; the 136 I levels fed through the radioactive decay of 136 Te (20.9s); the A=145 chain (β decay of Ba, La and Ce, and level schemes for 145 La, 145 Ce, 145 Pr); the A=47 chain (La and Ce, β decay, and the level schemes of 147 Ce and 147 Pr) [fr

Chemistry in South Africa - yesterday, today and tomorrow

International Nuclear Information System (INIS)

1987-01-01

The jubilee convention of the South African Chemical Institute covered the development of chemistry in South Africa. Specialists in the field of chemistry covered topics with reference to organic chemistry, extraction metallurgy, analytical chemistry, mass spectroscopy, instrumentation, theoretical chemistry, physical chemistry, chromatography, industrial chemistry and solid state chemistry

Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry.

Science.gov (United States)

Almeida, M O; Maltarollo, V G; de Toledo, R A; Shim, H; Santos, M C; Honorio, K M

2014-01-01

Over the last centuries, there were many important discoveries in medicine that were crucial for gaining a better understanding of several physiological processes. Molecular modelling techniques are powerful tools that have been successfully used to analyse and interface medicinal chemistry studies with electrochemical experimental results. This special combination can help to comprehend medicinal chemistry problems, such as predicting biological activity and understanding drug action mechanisms. Electrochemistry has provided better comprehension of biological reactions and, as a result of many technological improvements, the combination of electrochemical techniques and biosensors has become an appealing choice for pharmaceutical and biomedical analyses. Therefore, this review will briefly outline the present scope and future advances related to the integration of electrochemical and medicinal chemistry approaches based on various applications from recent studies.

SciDAC's Earth System Grid Center for Enabling Technologies Semi-Annual Progress Report for the Period April 1, 2009 through September 30, 2009

Energy Technology Data Exchange (ETDEWEB)

Williams, Dean N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Foster, I. T. [Argonne National Lab. (ANL), Argonne, IL (United States); Middleton, D. E. [National Center for Atmospheric Research (NCAR), Boulder, CO (United States)

2009-10-15

This report summarizes work carried out by the ESG-CET during the period April 1, 2009 through September 30, 2009. It includes discussion of highlights, overall progress, period goals, collaborations, papers, and presentations. To learn more about our project, and to find previous reports, please visit the Earth System Grid Center for Enabling Technologies (ESG-CET) website. This report will be forwarded to the DOE SciDAC program management, the Office of Biological and Environmental Research (OBER) program management, national and international collaborators and stakeholders (e.g., the Community Climate System Model (CCSM), the Intergovernmental Panel on Climate Change (IPCC) 5th Assessment Report (AR5), the Climate Science Computational End Station (CCES), the SciDAC II: A Scalable and Extensible Earth System Model for Climate Change Science, the North American Regional Climate Change Assessment Program (NARCCAP), and other wide-ranging climate model evaluation activities). During this semi-annual reporting period, the ESG-CET team continued its efforts to complete software components needed for the ESG Gateway and Data Node. These components include: Data Versioning, Data Replication, DataMover-Lite (DML) and Bulk Data Mover (BDM), Metrics, Product Services, and Security, all joining together to form ESG-CET's first beta release. The launch of the beta release is scheduled for late October with the installation of ESG Gateways at NCAR and LLNL/PCMDI. Using the developed ESG Data Publisher, the ESG II CMIP3 (IPCC AR4) data holdings - approximately 35 TB - will be among the first datasets to be published into the new ESG enterprise system. In addition, the NCAR's ESG II data holdings will also be published into the new system - approximately 200 TB. This period also saw the testing of the ESG Data Node at various collaboration sites, including: the British Atmospheric Data Center (BADC), the Max-Planck-Institute for Meteorology, the University of Tokyo

Coordinated renewable energy support schemes

DEFF Research Database (Denmark)

Morthorst, P.E.; Jensen, S.G.

2006-01-01

. The first example covers countries with regional power markets that also regionalise their support schemes, the second countries with separate national power markets that regionalise their support schemes. The main findings indicate that the almost ideal situation exists if the region prior to regionalising...

Effective Chemistry Communication in Informal Environments

Science.gov (United States)

National Academies Press, 2016

2016-01-01

Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…

Asynchronous Channel-Hopping Scheme under Jamming Attacks

Directory of Open Access Journals (Sweden)

Yongchul Kim

2018-01-01

Full Text Available Cognitive radio networks (CRNs are considered an attractive technology to mitigate inefficiency in the usage of licensed spectrum. CRNs allow the secondary users (SUs to access the unused licensed spectrum and use a blind rendezvous process to establish communication links between SUs. In particular, quorum-based channel-hopping (CH schemes have been studied recently to provide guaranteed blind rendezvous in decentralized CRNs without using global time synchronization. However, these schemes remain vulnerable to jamming attacks. In this paper, we first analyze the limitations of quorum-based rendezvous schemes called asynchronous channel hopping (ACH. Then, we introduce a novel sequence sensing jamming attack (SSJA model in which a sophisticated jammer can dramatically reduce the rendezvous success rates of ACH schemes. In addition, we propose a fast and robust asynchronous rendezvous scheme (FRARS that can significantly enhance robustness under jamming attacks. Our numerical results demonstrate that the performance of the proposed scheme vastly outperforms the ACH scheme when there are security concerns about a sequence sensing jammer.

Growing your green chemistry mindset

Science.gov (United States)

Kosmas, Steven

2017-08-01

The purpose of this article is not to delineate the steps to move across the continuum to being a greener chemist, but to analyse the cognitive processes involved in fostering a green chemistry growth mindset (GCGM) [Dweck C. (2006) Mindset: The New Psychology of Success. New York, NY: Ballatine]. The focus is on changing the mindset, which inevitably will lead to a more mindful approach to chemistry practices before the laboratory begins. A green chemistry fixed mindset (GCFM) is closed to making improvements, since the attitude is that the techniques and processes in the laboratory are already employing a green chemistry mindset [Dweck C. (2006) Mindset: The New Psychology of Success. New York, NY: Ballatine]. The problem with the GCFM is that it precludes the possibility of making improvements. However, the GCGM employs a continuous, intentional focus on the attitude towards green chemistry, with the ultimate goal being a change in chemistry practices that is greener. The focus of this article will be on the GCGM.

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.

Chemistry of the elements

International Nuclear Information System (INIS)

Greenwood, N.N.; Earnshaw, A.

1984-01-01

This textbook presents an account of the chemistry of the elements for both undergraduate and postgraduate students. It covers not only the 'inorganic' chemistry of the elements, but also analytical, theoretical, industrial, organometallic;, bio-inorganic and other areas of chemistry which apply. The following elements of special nuclear interest are included: Rb, Cs, Fr, Sr, Ba, Ra, Po, At, Rn, Sc, Y, Zr, Hf, V, Nb, Ta, Mo, Tc, Ru, the Lanthanide Elements, the Actinide Elements. (U.K.)

Polymer chemistry (revised edition)

International Nuclear Information System (INIS)

Kim, Jae Mum

1987-02-01

This book deals with polymer chemistry, which is divided into fourteen chapters. The contents of this book are development of polymer chemistry, conception of polymer, measurement of polymer chemistry, conception of polymer, measurement of polymer, molecule structure of polymer, thermal prosperities of solid polymer, basic theory of polymerization, radical polymerization, ion polymerization, radical polymerization, copolymerization, polymerization by step-reaction, polymer reaction, crown polymer and inorganic polymer on classification and process of creation such as polymeric sulfur and carbon fiber.

A fast resonance interference treatment scheme with subgroup method

International Nuclear Information System (INIS)

Cao, L.; He, Q.; Wu, H.; Zu, T.; Shen, W.

2015-01-01

A fast Resonance Interference Factor (RIF) scheme is proposed to treat the resonance interference effects between different resonance nuclides. This scheme utilizes the conventional subgroup method to evaluate the self-shielded cross sections of the dominant resonance nuclide in the heterogeneous system and the hyper-fine energy group method to represent the resonance interference effects in a simplified homogeneous model. In this paper, the newly implemented scheme is compared to the background iteration scheme, the Resonance Nuclide Group (RNG) scheme and the conventional RIF scheme. The numerical results show that the errors of the effective self-shielded cross sections are significantly reduced by the fast RIF scheme compared with the background iteration scheme and the RNG scheme. Besides, the fast RIF scheme consumes less computation time than the conventional RIF schemes. The speed-up ratio is ~4.5 for MOX pin cell problems. (author)

Arbitrated quantum signature scheme with message recovery

International Nuclear Information System (INIS)

Lee, Hwayean; Hong, Changho; Kim, Hyunsang; Lim, Jongin; Yang, Hyung Jin

2004-01-01

Two quantum signature schemes with message recovery relying on the availability of an arbitrator are proposed. One scheme uses a public board and the other does not. However both schemes provide confidentiality of the message and a higher efficiency in transmission

CANONICAL BACKWARD DIFFERENTIATION SCHEMES FOR ...

African Journals Online (AJOL)

This paper describes a new nonlinear backward differentiation schemes for the numerical solution of nonlinear initial value problems of first order ordinary differential equations. The schemes are based on rational interpolation obtained from canonical polynomials. They are A-stable. The test problems show that they give ...

42 CFR 493.929 - Chemistry.

Science.gov (United States)

2010-10-01

... 42 Public Health 5 2010-10-01 2010-10-01 false Chemistry. 493.929 Section 493.929 Public Health... Proficiency Testing Programs by Specialty and Subspecialty § 493.929 Chemistry. The subspecialties under the specialty of chemistry for which a proficiency testing program may offer proficiency testing are routine...

The physical basis of chemistry

CERN Document Server

Warren, Warren S

2000-01-01

If the text you're using for general chemistry seems to lack sufficient mathematics and physics in its presentation of classical mechanics, molecular structure, and statistics, this complementary science series title may be just what you're looking for. Written for the advanced lower-division undergraduate chemistry course, The Physical Basis of Chemistry, Second Edition, offers students an opportunity to understand and enrich the understanding of physical chemistry with some quantum mechanics, the Boltzmann distribution, and spectroscopy. Posed and answered are questions concerning eve

Radiation chemistry; principles and applications

International Nuclear Information System (INIS)

Aziz, F.; Rodgers, M.A.J.

1994-01-01

The book attempts to present those fields of radiation chemistry which depend on the principles of radiation chemistry. The first four chapters are some prelude about radiation chemistry principles with respect to how ionizing radiation interacts with matter, and primary results from these interactions and, which kinetic laws are followed by these primary interactions and which equipment for qualitative studies is necessary. Following chapters included principles fields of radiation chemistry. The last six chapters discussed of principle of chemistry from physical and chemical point of view. In this connection the fundamentals of radiation on biological system is emphasised. On one hand, the importance of it for hygiene and safety as neoplasms therapy is discussed. on the other hand, its industrial importance is presented

Technetium Chemistry in HLW

International Nuclear Information System (INIS)

Hess, Nancy J.; Felmy, Andrew R.; Rosso, Kevin M.; Xia Yuanxian

2005-01-01

Tc contamination is found within the DOE complex at those sites whose mission involved extraction of plutonium from irradiated uranium fuel or isotopic enrichment of uranium. At the Hanford Site, chemical separations and extraction processes generated large amounts of high level and transuranic wastes that are currently stored in underground tanks. The waste from these extraction processes is currently stored in underground High Level Waste (HLW) tanks. However, the chemistry of the HLW in any given tank is greatly complicated by repeated efforts to reduce volume and recover isotopes. These processes ultimately resulted in mixing of waste streams from different processes. As a result, the chemistry and the fate of Tc in HLW tanks are not well understood. This lack of understanding has been made evident in the failed efforts to leach Tc from sludge and to remove Tc from supernatants prior to immobilization. Although recent interest in Tc chemistry has shifted from pretreatment chemistry to waste residuals, both needs are served by a fundamental understanding of Tc chemistry

Green chemistry: to rethink chemistry for tomorrow's world. Press briefing of 20 January 2015

International Nuclear Information System (INIS)

Legrand, Francois

2015-01-01

This document discusses various issues related to the development of the green chemistry sector, and mentions and presents activities performed by the CEA in this respect. A first part outlines how green chemistry is an answer to stakes for a sustainable development. The second part addresses metal recycling: recovery of silver from photovoltaic cells, avoiding tensions related to rare earth supply. The third part discusses how to replace dangerous or costly compounds (chromium in aircraft paintings, platinum in fuel cells, ruthenium in photovoltaic cells, rare earth in magnetic wire). The fourth part addresses how to transform wastes into useful products (production of formamides, of aromatic compounds, and of methanol, respectively from waste recycling, natural lignin, and CO_2). The fifth part presents new concepts for chemical synthesis: chemistry under ultrasounds, production of hydrogen from water. The sixth part presents contributions of life sciences to green chemistry: reduction of carbon dioxide emissions, bioremediation (biology for soil rehabilitation), production of molecules of interest by using micro algae, enzymes or bacteria. The last part discusses issues which outline that chemistry is at the heart of challenges for a sustainable nuclear in terms of materials, for a closed fuel cycle, in terms of fuel cycle processes, of installation sanitation and dismantling. Appendices formulate 5 societal challenges for green chemistry, and 12 background principles of green chemistry

A simple angular transmit diversity scheme using a single RF frontend for PSK modulation schemes

DEFF Research Database (Denmark)

Alrabadi, Osama Nafeth Saleem; Papadias, Constantinos B.; Kalis, Antonis

2009-01-01

array (SPA) with a single transceiver, and an array area of 0.0625 square wavelengths. The scheme which requires no channel state information (CSI) at the transmitter, provides mainly a diversity gain to combat against multipath fading. The performance/capacity of the proposed diversity scheme...

Evaluating statistical cloud schemes

OpenAIRE

Grützun, Verena; Quaas, Johannes; Morcrette , Cyril J.; Ament, Felix

2015-01-01

Statistical cloud schemes with prognostic probability distribution functions have become more important in atmospheric modeling, especially since they are in principle scale adaptive and capture cloud physics in more detail. While in theory the schemes have a great potential, their accuracy is still questionable. High-resolution three-dimensional observational data of water vapor and cloud water, which could be used for testing them, are missing. We explore the potential of ground-based re...

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

Chemistry management system for nuclear power plants

International Nuclear Information System (INIS)

Nagasawa, Katsumi; Maeda, Katsuji

1998-01-01

Recently, the chemistry management in the nuclear power plants has been changing from the problem solution to the predictive diagnosis and maintenance. It is important to maintain the integrity of plant operation by an adequate chemistry control. For these reasons, many plant operation data and chemistry analysis data should be collected and treated effectively to evaluate chemistry condition of the nuclear power plants. When some indications of chemistry anomalies occur, quick and effective root cause evaluation and countermeasures should be required. The chemistry management system has been developed as to provide sophisticate chemistry management in the nuclear power plants. This paper introduces the concept and functions of the chemistry management system for the nuclear power plants. (author)

Solid state chemistry an introduction

CERN Document Server

Smart, Lesley E

2012-01-01

""Smart and Moore are engaging writers, providing clear explanations for concepts in solid-state chemistry from the atomic/molecular perspective. The fourth edition is a welcome addition to my bookshelves. … What I like most about Solid State Chemistry is that it gives simple clear descriptions for a large number of interesting materials and correspondingly clear explanations of their applications. Solid State Chemistry could be used for a solid state textbook at the third or fourth year undergraduate level, especially for chemistry programs. It is also a useful resource for beginning graduate

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

Solid state chemistry and its applications

CERN Document Server

West, Anthony R

2013-01-01

Solid State Chemistry and its Applications, 2nd Edition: Student Edition is an extensive update and sequel to the bestselling textbook Basic Solid State Chemistry, the classic text for undergraduate teaching in solid state chemistry worldwide. Solid state chemistry lies at the heart of many significant scientific advances from recent decades, including the discovery of high-temperature superconductors, new forms of carbon and countless other developments in the synthesis, characterisation and applications of inorganic materials. Looking forward, solid state chemistry will be crucial for the

LDPC-PPM Coding Scheme for Optical Communication

Science.gov (United States)

Barsoum, Maged; Moision, Bruce; Divsalar, Dariush; Fitz, Michael

2009-01-01

In a proposed coding-and-modulation/demodulation-and-decoding scheme for a free-space optical communication system, an error-correcting code of the low-density parity-check (LDPC) type would be concatenated with a modulation code that consists of a mapping of bits to pulse-position-modulation (PPM) symbols. Hence, the scheme is denoted LDPC-PPM. This scheme could be considered a competitor of a related prior scheme in which an outer convolutional error-correcting code is concatenated with an interleaving operation, a bit-accumulation operation, and a PPM inner code. Both the prior and present schemes can be characterized as serially concatenated pulse-position modulation (SCPPM) coding schemes. Figure 1 represents a free-space optical communication system based on either the present LDPC-PPM scheme or the prior SCPPM scheme. At the transmitting terminal, the original data (u) are processed by an encoder into blocks of bits (a), and the encoded data are mapped to PPM of an optical signal (c). For the purpose of design and analysis, the optical channel in which the PPM signal propagates is modeled as a Poisson point process. At the receiving terminal, the arriving optical signal (y) is demodulated to obtain an estimate (a^) of the coded data, which is then processed by a decoder to obtain an estimate (u^) of the original data.

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 

Radiation chemistry

International Nuclear Information System (INIS)

Swallow, A.J.

1983-01-01

The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

Annual report 1985 Chemistry Department

International Nuclear Information System (INIS)

1987-01-01

This annual report describes the activities carried out in 1985 by the Chemistry Department in the following fields: Chemistry, Inorganic Chemistry, Physicochemistry (Interphases, Surfaces), General Chemical Analysis, Active Materials Analysis, X Ray Fluorescence Analysis, Mass Spectroscopy (Isotopic Analysis, Instrumentation) and Optical Spectroscopy. A list of publications is enclosed. (M.E.L.) [es

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

Multidimensional flux-limited advection schemes

International Nuclear Information System (INIS)

Thuburn, J.

1996-01-01

A general method for building multidimensional shape preserving advection schemes using flux limiters is presented. The method works for advected passive scalars in either compressible or incompressible flow and on arbitrary grids. With a minor modification it can be applied to the equation for fluid density. Schemes using the simplest form of the flux limiter can cause distortion of the advected profile, particularly sideways spreading, depending on the orientation of the flow relative to the grid. This is partly because the simple limiter is too restrictive. However, some straightforward refinements lead to a shape-preserving scheme that gives satisfactory results, with negligible grid-flow angle-dependent distortion

Tightly Secure Signatures From Lossy Identification Schemes

OpenAIRE

Abdalla , Michel; Fouque , Pierre-Alain; Lyubashevsky , Vadim; Tibouchi , Mehdi

2015-01-01

International audience; In this paper, we present three digital signature schemes with tight security reductions in the random oracle model. Our first signature scheme is a particularly efficient version of the short exponent discrete log-based scheme of Girault et al. (J Cryptol 19(4):463–487, 2006). Our scheme has a tight reduction to the decisional short discrete logarithm problem, while still maintaining the non-tight reduction to the computational version of the problem upon which the or...

Seeing the Chemistry around Me--Helping Students Identify the Relevance of Chemistry to Everyday Life

Science.gov (United States)

Moore, Tracy Lynn

2012-01-01

The study attempted to determine whether the use of a series of reading and response assignments decreased students' perceptions of chemistry difficulty and enhanced students' perceptions of the relevance of chemistry in their everyday lives. Informed consent volunteer students enrolled in General Chemistry II at a community college in the…

Scheme of energy utilities

International Nuclear Information System (INIS)

2002-04-01

This scheme defines the objectives relative to the renewable energies and the rational use of the energy in the framework of the national energy policy. It evaluates the needs and the potentialities of the regions and preconizes the actions between the government and the territorial organizations. The document is presented in four parts: the situation, the stakes and forecasts; the possible actions for new measures; the scheme management and the regional contributions analysis. (A.L.B.)

Error forecasting schemes of error correction at receiver

International Nuclear Information System (INIS)

Bhunia, C.T.

2007-08-01

To combat error in computer communication networks, ARQ (Automatic Repeat Request) techniques are used. Recently Chakraborty has proposed a simple technique called the packet combining scheme in which error is corrected at the receiver from the erroneous copies. Packet Combining (PC) scheme fails: (i) when bit error locations in erroneous copies are the same and (ii) when multiple bit errors occur. Both these have been addressed recently by two schemes known as Packet Reversed Packet Combining (PRPC) Scheme, and Modified Packet Combining (MPC) Scheme respectively. In the letter, two error forecasting correction schemes are reported, which in combination with PRPC offer higher throughput. (author)

Creating a Context for Chemistry

Science.gov (United States)

Truman Schwartz, A.

Until relatively recently, the teaching of chemistry at the college and university level in the United States has been quite traditional and oriented primarily toward the preparation of chemists. Students not concentrating in the sciences have often been poorly served by existing courses. Chemistry in Context: Applying Chemistry to Society, a textbook for nonscience majors developed under the sponsorship of the American Chemical Society, is an effort to address the needs and interests of this audience. The book introduces the phenomena and principles of chemistry within the context of socially significant issues such as global warming, ozone depletion, alternate energy sources, nutrition, and genetic engineering. The chemistry is presented as needed to inform an understanding of the central topics, and the text features student-centered activities designed to promote critical thinking and risk-benefit analysis as well as an understanding of chemical principles. This paper summarizes the origin, development, content, pedagogy, evaluation, and influence of Chemistry in Context and considers its potential implications for other disciplines and the instruction of science majors.

Experiments in physical chemistry

CERN Document Server

Wilson, J M; Denaro, A R

1968-01-01

Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest

Mathematics for physical chemistry

CERN Document Server

Mortimer, Robert G

2013-01-01

Mathematics for Physical Chemistry is the ideal supplementary text for practicing chemists and students who want to sharpen their mathematics skills while enrolled in general through physical chemistry courses. This book specifically emphasizes the use of mathematics in the context of physical chemistry, as opposed to being simply a mathematics text. This 4e includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The early chapters are constructed around a sequence of mathematical topics, wit

Estimating plume dispersion: a comparison of several sigma schemes

International Nuclear Information System (INIS)

Irwin, J.S.

1983-01-01

The lateral and vertical Gaussian plume dispersion parameters are estimated and compared with field tracer data collected at 11 sites. The dispersion parameter schemes used in this analysis include Cramer's scheme, suggested for tall stack dispersion estimates, Draxler's scheme, suggested for elevated and surface releases, Pasquill's scheme, suggested for interim use in dispersion estimates, and the Pasquill--Gifford scheme using Turner's technique for assigning stability categories. The schemes suggested by Cramer, Draxler and Pasquill estimate the dispersion parameters using onsite measurements of the vertical and lateral wind-velocity variances at the effective release height. The performances of these schemes in estimating the dispersion parameters are compared with that of the Pasquill--Gifford scheme, using the Prairie Grass and Karlsruhe data. For these two experiments, the estimates of the dispersion parameters using Draxler's scheme correlate better with the measurements than did estimates using the Pasquill--Gifford scheme. Comparison of the dispersion parameter estimates with the measurement suggests that Draxler's scheme for characterizing the dispersion results in the smallest mean fractional error in the estimated dispersion parameters and the smallest variance of the fractional errors

An authentication scheme for secure access to healthcare services.

Science.gov (United States)

Khan, Muhammad Khurram; Kumari, Saru

2013-08-01

Last few decades have witnessed boom in the development of information and communication technologies. Health-sector has also been benefitted with this advancement. To ensure secure access to healthcare services some user authentication mechanisms have been proposed. In 2012, Wei et al. proposed a user authentication scheme for telecare medical information system (TMIS). Recently, Zhu pointed out offline password guessing attack on Wei et al.'s scheme and proposed an improved scheme. In this article, we analyze both of these schemes for their effectiveness in TMIS. We show that Wei et al.'s scheme and its improvement proposed by Zhu fail to achieve some important characteristics necessary for secure user authentication. We find that security problems of Wei et al.'s scheme stick with Zhu's scheme; like undetectable online password guessing attack, inefficacy of password change phase, traceability of user's stolen/lost smart card and denial-of-service threat. We also identify that Wei et al.'s scheme lacks forward secrecy and Zhu's scheme lacks session key between user and healthcare server. We therefore propose an authentication scheme for TMIS with forward secrecy which preserves the confidentiality of air messages even if master secret key of healthcare server is compromised. Our scheme retains advantages of Wei et al.'s scheme and Zhu's scheme, and offers additional security. The security analysis and comparison results show the enhanced suitability of our scheme for TMIS.

Cost-based droop scheme for DC microgrid

DEFF Research Database (Denmark)

Nutkani, Inam Ullah; Wang, Peng; Loh, Poh Chiang

2014-01-01

voltage level, less on optimized operation and control of generation sources. The latter theme is perused in this paper, where cost-based droop scheme is proposed for distributed generators (DGs) in DC microgrids. Unlike traditional proportional power sharing based droop scheme, the proposed scheme......-connected operation. Most importantly, the proposed scheme can reduce overall total generation cost in DC microgrids without centralized controller and communication links. The performance of the proposed scheme has been verified under different load conditions.......DC microgrids are gaining interest due to higher efficiencies of DC distribution compared with AC. The benefits of DC systems have been widely researched for data centers, IT facilities and residential applications. The research focus, however, has been more on system architecture and optimal...

Resonance ionization scheme development for europium

Energy Technology Data Exchange (ETDEWEB)

Chrysalidis, K., E-mail: katerina.chrysalidis@cern.ch; Goodacre, T. Day; Fedosseev, V. N.; Marsh, B. A. [CERN (Switzerland); Naubereit, P. [Johannes Gutenberg-Universität, Institiut für Physik (Germany); Rothe, S.; Seiffert, C. [CERN (Switzerland); Kron, T.; Wendt, K. [Johannes Gutenberg-Universität, Institiut für Physik (Germany)

2017-11-15

Odd-parity autoionizing states of europium have been investigated by resonance ionization spectroscopy via two-step, two-resonance excitations. The aim of this work was to establish ionization schemes specifically suited for europium ion beam production using the ISOLDE Resonance Ionization Laser Ion Source (RILIS). 13 new RILIS-compatible ionization schemes are proposed. The scheme development was the first application of the Photo Ionization Spectroscopy Apparatus (PISA) which has recently been integrated into the RILIS setup.

Secure RAID Schemes for Distributed Storage

OpenAIRE

Huang, Wentao; Bruck, Jehoshua

2016-01-01

We propose secure RAID, i.e., low-complexity schemes to store information in a distributed manner that is resilient to node failures and resistant to node eavesdropping. We generalize the concept of systematic encoding to secure RAID and show that systematic schemes have significant advantages in the efficiencies of encoding, decoding and random access. For the practical high rate regime, we construct three XOR-based systematic secure RAID schemes with optimal or almost optimal encoding and ...

Wireless Broadband Access and Accounting Schemes

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

In this paper, we propose two wireless broadband access and accounting schemes. In both schemes, the accounting system adopts RADIUS protocol, but the access system adopts SSH and SSL protocols respectively.

Indoor Chemistry

DEFF Research Database (Denmark)

Weschler, Charles J.; Carslaw, Nicola

2018-01-01

This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

Security analysis and improvements of arbitrated quantum signature schemes

International Nuclear Information System (INIS)

Zou Xiangfu; Qiu Daowen

2010-01-01

A digital signature is a mathematical scheme for demonstrating the authenticity of a digital message or document. For signing quantum messages, some arbitrated quantum signature (AQS) schemes have been proposed. It was claimed that these AQS schemes could guarantee unconditional security. However, we show that they can be repudiated by the receiver Bob. To conquer this shortcoming, we construct an AQS scheme using a public board. The AQS scheme not only avoids being disavowed by the receiver but also preserves all merits in the existing schemes. Furthermore, we discover that entanglement is not necessary while all these existing AQS schemes depend on entanglement. Therefore, we present another AQS scheme without utilizing entangled states in the signing phase and the verifying phase. This scheme has three advantages: it does not utilize entangled states and it preserves all merits in the existing schemes; the signature can avoid being disavowed by the receiver; and it provides a higher efficiency in transmission and reduces the complexity of implementation.

Chemistry and climate change

International Nuclear Information System (INIS)

Bernier, Jean-Claude; Brasseur, Guy; Brechet, Yves; Candel, Sebastien; Cazenave, Anny; Courtillot, Vincent; Fontecave, Marc; Garnier, Emmanuel; Goebel, Philippe; Legrand, Jack; Legrand, Michel; Le Treut, Herve; Mauberger, Pascal; Dinh-Audouin, Minh-Thu; Olivier, Daniele; Rigny, Paul; Bigot, Bernard

2016-01-01

In its first part, this collective publication addresses the decennial and centuries-old variations of climate: perspectives and implications of climate change for the 21. century, questions remaining about the understanding of climate change from its sources to its modelling, extreme climate variations and societies during the last millennium. The contributions of the second part outline how chemistry is a tool to study climate change: ice chemistry as an archive of our past environment, observations and predictions on sea level rise, relationship between atmosphere chemistry and climate. The third set of contributions discusses the transformation of the energy system for a cleaner atmosphere and the management of the climate risk: the chemical processing of CO_2, actions of chemical companies to support the struggle against climate change, relationship between barrel price and renewable energies, relationship between grid complexity and green energy. The last part outlines the role chemistry can have to be able to do without fossil fuels: chemistry in front of challenges of transformation of the energy system, the use of micro-algae, the use of hydrogen as a vector of energy transition

Comet Halley and interstellar chemistry

International Nuclear Information System (INIS)

Snyder, L.E.

1989-01-01

How complex is the chemistry of the interstellar medium? How far does it evolve and how has it interacted with the chemistry of the solar system? Are the galactic chemical processes destroyed, preserved, or even enhanced in comets? Are biogenic molecules formed in space and have the formation mechanisms interacted in any way with prebiotic organic chemical processes on the early earth? Radio molecular studies of comets are important for probing deep into the coma and nuclear region and thus may help answer these questions. Comets are believed to be pristine samples of the debris left from the formation of the solar system and may have been the carrier between interstellar and terrestrial prebiotic chemistries. Recent observations of Comet Halley and subsequent comets have given the author an excellent opportunity to study the relationship between interstellar molecular chemistry and cometary chemistry

Observable Signatures of Wind-driven Chemistry with a Fully Consistent Three-dimensional Radiative Hydrodynamics Model of HD 209458b

Science.gov (United States)

Drummond, B.; Mayne, N. J.; Manners, J.; Carter, A. L.; Boutle, I. A.; Baraffe, I.; Hébrard, É.; Tremblin, P.; Sing, D. K.; Amundsen, D. S.; Acreman, D.

2018-03-01

We present a study of the effect of wind-driven advection on the chemical composition of hot-Jupiter atmospheres using a fully consistent 3D hydrodynamics, chemistry, and radiative transfer code, the Met Office Unified Model (UM). Chemical modeling of exoplanet atmospheres has primarily been restricted to 1D models that cannot account for 3D dynamical processes. In this work, we couple a chemical relaxation scheme to the UM to account for the chemical interconversion of methane and carbon monoxide. This is done consistently with the radiative transfer meaning that departures from chemical equilibrium are included in the heating rates (and emission) and hence complete the feedback between the dynamics, thermal structure, and chemical composition. In this Letter, we simulate the well studied atmosphere of HD 209458b. We find that the combined effect of horizontal and vertical advection leads to an increase in the methane abundance by several orders of magnitude, which is directly opposite to the trend found in previous works. Our results demonstrate the need to include 3D effects when considering the chemistry of hot-Jupiter atmospheres. We calculate transmission and emission spectra, as well as the emission phase curve, from our simulations. We conclude that gas-phase nonequilibrium chemistry is unlikely to explain the model–observation discrepancy in the 4.5 μm Spitzer/IRAC channel. However, we highlight other spectral regions, observable with the James Webb Space Telescope, where signatures of wind-driven chemistry are more prominant.

Capacity-achieving CPM schemes

OpenAIRE

Perotti, Alberto; Tarable, Alberto; Benedetto, Sergio; Montorsi, Guido

2008-01-01

The pragmatic approach to coded continuous-phase modulation (CPM) is proposed as a capacity-achieving low-complexity alternative to the serially-concatenated CPM (SC-CPM) coding scheme. In this paper, we first perform a selection of the best spectrally-efficient CPM modulations to be embedded into SC-CPM schemes. Then, we consider the pragmatic capacity (a.k.a. BICM capacity) of CPM modulations and optimize it through a careful design of the mapping between input bits and CPM waveforms. The s...

Improvement of a Quantum Proxy Blind Signature Scheme

Science.gov (United States)

Zhang, Jia-Lei; Zhang, Jian-Zhong; Xie, Shu-Cui

2018-06-01

Improvement of a quantum proxy blind signature scheme is proposed in this paper. Six-qubit entangled state functions as quantum channel. In our scheme, a trust party Trent is introduced so as to avoid David's dishonest behavior. The receiver David verifies the signature with the help of Trent in our scheme. The scheme uses the physical characteristics of quantum mechanics to implement message blinding, delegation, signature and verification. Security analysis proves that our scheme has the properties of undeniability, unforgeability, anonymity and can resist some common attacks.

A group signature scheme based on quantum teleportation

International Nuclear Information System (INIS)

Wen Xiaojun; Tian Yuan; Ji Liping; Niu Xiamu

2010-01-01