Atucha I nuclear power plant transients analysis

International Nuclear Information System (INIS)

Castano, J.; Schivo, M.

1987-01-01

A program for the transients simulation thermohydraulic calculation without loss of coolant (KWU-ENACE development) to evaluate Atucha I nuclear power plant behaviour is used. The program includes systems simulation and nuclear power plants control bonds with real parameters. The calculation results show a good agreement with the output 'protocol' of various transients of the nuclear power plant, keeping the error, in general, lesser than ± 10% from the variation of the nuclear power plant's state variables. (Author)

How Belgium helped establish a surveillance programme for Argentina's Atucha-2

Energy Technology Data Exchange (ETDEWEB)

Mitev, Lubomir [NucNet, Brussels (Belgium)

2015-02-15

Collaboration between Belgian experts and Argentina on the commissioning of Argentine reactors helped overcome problems caused by delays with construction. Marc Scibetta, deputy manager for nuclear materials science, from the Belgian Nuclear Research Centre (SCK CEN) gave an interview in which he told some facts to Lubomir Mitev of NucNet. The cooperation between SCK CEN an Argentina's Comision Nacional de Energia Atomica (CNEA) started in 2002. The first project was a support for the safety evaluation of the Atucha-1 reactor pressure vessel. When Argentina resumed the construction of Atucha-2 in 2006 - originally, construction started in 1981 but was suspended in 1985 due to financial reasons -, SCK CEN was asked to develop and implement a surveillance programme for the unit.

Reactor building design of nuclear power plant ATUCHA II, Argentina

International Nuclear Information System (INIS)

Rufino, R.E.; Hermann, E.R.; Richter, E.

1984-01-01

It is presented the civil engineering project carried out by the joint venture Hochtief - Techint-Bignoli (HTB) for the reactor building at the Atucha II power plant (PHWR of 745 MWe) in Buenos Aires. All the other civil projects at Atucha II are also being carried out by HTB. This building has the same general characteristics of the PWR plants developed by KWU in Germany, known for the spherical steel containment 56m in diameter. Nevertheless, it differs from those principally in the equipment lay-out and the remarkable foundation depth. From the basic engineering provided by ENACE, the joint venture has had to face the challenge of designing a tridimensional structure of large size. This has necessitated using simplified models which had to be superimposed, since the use of only one spatial mode would be highly inadequate, lacking the flexibility necessary to absorb the numerous modifications that this type of project undergoes during construction. In addition, this procedure has eliminated resorting to numerous and costly computer processings. (Author) [pt

Knowledge preservation of Atucha type reactor: Practical approaches and lessons learned

International Nuclear Information System (INIS)

Eppenstein, M.; Vetere, C.

2004-01-01

As Siemens, designer of the Atucha type HWRs, has transferred its nuclear activities to Framatome ANP, Argentina must undertake the knowledge preservation of this type of reactor, both if life extension is decided for the operating Atucha I NPP, and/or if ending the construction of Atucha II is decided. Another reason for undertaking a knowledge preservation program is aging and increasing retirement of personnel in the nuclear field, and the small number of young people in nuclear related disciplines at the universities. This situation motivated CNEA to implement a Knowledge Management system (KM), in order to capture and capitalize the tacit and explicit knowledge, to spread it and share it, making use of the technical and suitable tools through the organization. The strategy was based on recognizing the critical knowledge by means of a methodology incorporating the critical knowledge map technique. This map is a tool that uses the cognitive surfing in order to access to the organization heritage knowledge. Different techniques and methodologies are applied for identifying the critical knowledge domains. The result is a vigorous graphical tool with a certain formalism, able to describe knowledge in a hierarchical way in order to preserve it. It is used to analyze the criticality, and as an access portal to the knowledge patrimony, pointing out, according to each knowledge area, the people skills, publications, related documents and others. Experience obtained through the KM system development shows how training techniques are put into practice, in order not to interfere with normal plant operation, and how to initiate the KM processes in order to improve the criticity. (author)

Reliability analysis for Atucha II reactor protection system signals

International Nuclear Information System (INIS)

Roca, Jose Luis

1996-01-01

Atucha II is a 745 MW Argentine Power Nuclear Reactor constructed by ENACE SA, Nuclear Argentine Company for Electrical Power Generation and SIEMENS AG KWU, Erlangen, Germany. A preliminary modular logic analysis of RPS (Reactor Protection System) signals was performed by means of the well known Swedish professional risk and reliability software named Risk-Spectrum taking as a basis a reference signal coded as JR17ER003 which command the two moderator loops valves. From the reliability and behavior knowledge for this reference signal follows an estimation of the reliability for the other 97 RPS signals. Because the preliminary character of this analysis Main Important Measures are not performed at this stage. Reliability is by the statistic value named unavailability predicted. The scope of this analysis is restricted from the measurement elements to the RPS buffer outputs. In the present context only one redundancy is analyzed so in the Instrumentation and Control area there no CCF (Common Cause Failures) present for signals. Finally those unavailability values could be introduced in the failure domain for the posterior complete Atucha II reliability analysis which includes all mechanical and electromechanical features. Also an estimation of the spurious frequency of RPS signals defined as faulty by no trip is performed

Reliability analysis for Atucha II reactor protection system signals

International Nuclear Information System (INIS)

Roca, Jose L.

2000-01-01

Atucha II is a 745 MW Argentine power nuclear reactor constructed by Nuclear Argentine Company for Electric Power Generation S.A. (ENACE S.A.) and SIEMENS AG KWU, Erlangen, Germany. A preliminary modular logic analysis of RPS (Reactor Protection System) signals was performed by means of the well known Swedish professional risk and reliability software named Risk-Spectrum taking as a basis a reference signal coded as JR17ER003 which command the two moderator loops valves. From the reliability and behavior knowledge for this reference signal follows an estimation of the reliability for the other 97 RPS signals. Because the preliminary character of this analysis Main Important Measures are not performed at this stage. Reliability is by the statistic value named unavailability predicted. The scope of this analysis is restricted from the measurement elements to the RPS buffer outputs. In the present context only one redundancy is analyzed so in the Instrumentation and Control area there no CCF (Common Cause Failures) present for signals. Finally those unavailability values could be introduced in the failure domain for the posterior complete Atucha II reliability analysis which includes all mechanical and electromechanical features. Also an estimation of the spurious frequency of RPS signals defined as faulty by no trip is performed. (author)

Development of an acoustic emission equipment for valves of the Nuclear Power Station Atucha 1

International Nuclear Information System (INIS)

Giaccheta, R.; Lopez Pumarega, I.; Straus, A.; Ruzzante, J.; Herzovich, P.

1994-01-01

A four channel Acoustic Emission was developed by the Acoustic Emission Group, INEND Department, of the Atomic Energy Commission of Argentina, for the detection of leaks in valves of the pressurized air system: ''Sistema de desconexion de emergencias por acido deuteroborico''. Basically, the system consists of four piezoelectric transducers with their corresponding preamplifiers coupled to the piping close to the valves. The following stages: amplifiers, threshold levels, channel identifications and visual alarm system are gathered in a box. The system was installed in the controlled zone of the Nuclear Power Stations Atucha I. It was calibrated and works on line. The values shown on the display are registered daily in order to separate the normal values from the leak ones. (author). 4 refs, 9 figs

Fission distribution measurements of Atucha's fuel pellets with solid state track detectors

International Nuclear Information System (INIS)

Ricabarra, M.D. Bovisio de; Waisman, Dina.

1979-08-01

Distribution of fissions in a UO 2 rod has been measured by means of solid state detectors. Mica muscovite and Makrofol-N detectors were used in the experiment. The merits of mica muscovite relative to the Makrofol-N for the detection of fission fragments have been verified. However both fission track detectors closely agree (0,5%) in the final fission distribution of the UO 2 rod. Sensitivity of the detectors shows to be linear in the range between 50.000and 360.000 fission tracks per square centimeter. Due to the high spatial resolution this method is better than any other technique. Determination were made in UO 2 pellets similar to the fuel element of the Atucha reactor. The average fission rate in the rod has been measured within 0,8% error, and provides an accurate determination for the distribution of fissions in the rod wich is needed for the determination of energy liberated per fission in the natural uranium rod.(author) [es

The pressure and leak tests in Atucha II

International Nuclear Information System (INIS)

Anon.

1991-01-01

This work deals with the pressure and leak tests of the containment sphere in the Atucha II Nuclear Power Plant's reactor building. This sphere is a metallic container, made in highly resistant steel plate, that is, built for providing the plant with a biological and structural barrier, which -in turn- provides safety and environmental protection. The applicable rules for these tests establish that the containment erection must be complete and in equivalent conditions to those that will prevail during the NPP operation. Particularly, pressure tests were carried out for assessing the structural condition of the sphere, while the leak test is aimed at the detection of tentative leaks [es

NbCN Josephson junctions with AlN barriers

International Nuclear Information System (INIS)

Thomasson, S.L.; Murduck, J.M.; Chan, H.

1991-01-01

This paper reports on niobium carbonitride (NbCN) Josephson circuits which operate over a wider temperature range than either niobium or niobium nitride circuits. Higher operating temperature places NbCN technology more comfortably within the range of closed cycle refrigerators, a key factor in aerospace applications. We have fabricated tunnel junctions from NbCN films with transition temperatures up to 18 Kelvin. High quality NbCN tunnel junction fabrication generally requires low stress films with roughness less than the barrier thickness (∼20 Angstrom). We have developed scanning tunneling microscopy as a tool for measuring and optimizing film smoothness. Junctions formed in situ with AIN tunneling barriers show reproducible I-V characteristics

Summary of severe accident assessment for Atucha 2 Nuclear Power Plant using RELAP5/SCDAPSIM Mod3.6

International Nuclear Information System (INIS)

Bonelli, Analia; Mazzantini, Oscar; Siefken, Larry; Allison, Chris

2014-01-01

A severe accident assessment was performed for the Atucha 2 Nuclear Power Plant in Argentina. Atucha 2 is a PHWR, cooled and moderated by heavy water, presently in commissioning process. Its 451 fuel assemblies are 6.03m high and each composed of 37 Zircaloy clad fuel rods. Each assembly is placed inside an individual Zircaloy coolant channel. Heavy water coolant flows inside the channels which are all immersed inside the moderator tank. The RPV lower plenum is occupied by a massive steel structure called 'filling body' that was designed to minimize heavy water inventory. Due to some unique design characteristics, severe accident progression in Atucha 2 is expected to be somewhat different from that predicted for regular PWRs. Therefore, a very detailed assessment was performed, focused on the different accident stages and expected phenomena by the use of different input models and nodalizations. When possible, linking to available experimental data was performed. RELAP/SCDAPSIM Mod 3.6 was the computer code selected to perform this task. The modeling of Atucha 2's unique characteristics required several extensions to the code. For the severe accident assessment of Atucha 2, three different input models were developed that were key instruments for the debugging and evaluation process. A Single Channel Model was used to evaluate the first stages of core heatup (including the boiloff of the channels and moderator tank), an RPV standalone model was used to assess the interaction between components in the complete core and for the evaluation of late in-core melting and relocation. Then, a Lower Plenum standalone model was developed to assess the behavior of the melted and slumped core material on top of the filling body and to analyze ex-vessel cooling as a possible severe accident management action. For each of the cases, highlights of key results are shown and general conclusions are drawn. In the case of a severe accident with significant meltdown of

Hydraulic Design of the CARA Fuel Assembly for Atucha-I

International Nuclear Information System (INIS)

Juanico, Luis; Brasnarof, Daniel

2000-01-01

In this paper a hydraulic model of the CARA fuel assembly within the Atucha I fuel channel is developed. Besides, a experimental test running in the CBP low pressure loop have been designed.This model is used for design purpose of the assembly system such as the whole channel pressure drop remains the same that it is at the present.It is observed that choosing the right thickness and hole surface of the assembly system, it is possible tune up the CARA pressure drop, releases the azimuth alignment condition on the fuel element neighbors

Construction and cost experience regarding the 2nd pool house for spent fuel storage facility in the Atucha Power Station

International Nuclear Information System (INIS)

Barbosa, C.A.

1980-01-01

The Atucha I second pool house storage for spent fuel is designed as an extension of the Atucha I power station. The two are linked by civil structure, controlling circuits, electrical and compressed air and water supplies, low level wastes disposal, ventilation under pressure maintenance, and, most important, the ability to transfer spent and new fuel in both directions. Because the second pool house is, by location and design, an extension of the existing installation, and since there is no design departure, regarding storage and transfer of fuel from that of the original installation, the rules and regulations applied for its construction were the same as those valid for the Atucha I construction. The requirement not to exceed a four-year period for construction and commissioning was determined by the need to have storage room for the Atucha I fuel. Argentina will meet the 1982 target by having the installation available during the second half of 1981. The second pool house is a wet storage location with a capacity of 1000 tons metallic uranium. It was designed by the Kraftwerk Union of West Germany along the same lines as the 440-ton storage location originally built with the station. The Atomic Energy Commission of Argentina has managed the construction and participated in project and design stages. As in the original pool, the 6 m long assemblies are stacked in double tiers. The cost figures which are mentioned differ from previously released figures and are not the final ones. With civil construction almost finished and mechanical erection started, the present estimates should not differ by more than 10% from the final figures. The installation has an investment cost of 61 million dollars, (1980), and, depending on the amortization time span considered, a total yearly cost per kg of capacity of metallic uranium, ranging between 5.5 and 9.3 dollars per kg

Hydrogen combustion study in the containment of Atucha-I nuclear power plant

International Nuclear Information System (INIS)

Baron, J.H.; Gonzalez Videla, E.

1997-01-01

In this paper the combustion of hydrogen was modeled and studied in the containment vessel of the Atucha I nuclear power station using the CONTAIN package. The hydrogen comes from the oxidation of metallic materials during the severe accidents proposed. The CONTAIN package is an integrated tool that analyzes the physical, chemical and radiation conditions that affect the containment structure of the radioactive materials unloaded from the primary system during a severe accident in the reactor. (author) [es

Cost estimation of interim dry storage for Atucha I NPP

International Nuclear Information System (INIS)

Bergallo, Juan E.; Fuenzalida Troyano, Carlos S.

2007-01-01

A joint effort between NASA and CNEA has been performed in order to evaluate and fix the strategy of interim spent fuel storage for Atucha I nuclear power plant. In this work the cost estimation on the proposed system was performed in order to fix the parameter and design criteria for the next engineering step. The main results achieved show that both alternatives are all in the same range of costs per unit of mass to be stored, the impact on electricity cost is less than 1 US mills/KWh and the scaling factor achieved is 0.85. (author) [es

The new carbodiimide Li_2Gd_2Sr(CN_2)_5 having a crystal structure related to that of Gd_2(CN_2)_3

International Nuclear Information System (INIS)

Unverfehrt, Leonid; Stroebele, Markus; Meyer, H. Juergen

2013-01-01

The new carbodiimide compounds Li_2RE_2Sr(CN_2)_5 (RE = Sm, Gd, Eu, Tb) were prepared by a straight forward solid state metathesis reaction of REF_3, SrF_2, and Li_2(CN_2) at around 600 C. The crystal structure of Li_2Gd_2Sr(CN_2)_5 was solved based on X-ray single-crystal diffraction data. Corresponding Li_2RE_2Sr(CN_2)_5 compounds were analyzed by isotypic indexing of their powder patterns. The crystal structure of Li_2Gd_2Sr(CN_2)_5 can be well related to that of Gd_2(CN_2)_3, because both structures are based on layered structures composed of close packed layers of [N=C=N]"2"- sticks, alternating with layers of metal ions. The crystal structure of Li_2Gd_2Sr(CN_2)_5 can be considered to contain an ABC layer sequence of [N = C=N]"2"- layers with the interlayer voids being occupied by (three) distinct types of cations. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Development and Application of MCNP5 and KENO-VI Monte Carlo Models for the Atucha-2 PHWR Analysis

Directory of Open Access Journals (Sweden)

M. Pecchia

2011-01-01

Full Text Available The geometrical complexity and the peculiarities of Atucha-2 PHWR require the adoption of advanced Monte Carlo codes for performing realistic neutronic simulations. Core models of Atucha-2 PHWR were developed using both MCNP5 and KENO-VI codes. The developed models were applied for calculating reactor criticality states at beginning of life, reactor cell constants, and control rods volumes. The last two applications were relevant for performing successive three dimensional neutron kinetic analyses since it was necessary to correctly evaluate the effect of each oblique control rod in each cell discretizing the reactor. These corrective factors were then applied to the cell cross sections calculated by the two-dimensional deterministic lattice physics code HELIOS. These results were implemented in the RELAP-3D model to perform safety analyses for the licensing process.

Proposal of modification of the Atucha I nuclear power plant's emergency power supply system

International Nuclear Information System (INIS)

Palacio, Pedro; Dabove, Mario

1989-01-01

The emergency power supply system of Atucha I N.P.P. consists of three 50% diesel generators. During the transient from normal power supply to emergency power supply (approximately 15 seconds) an hydraulic generator takes care of the emergency system. By this way, the emergency busbars constitute themselves an interruption free system. The two emergency busbars work normally coupled. This proposal consists of the following modifications: 1) Add a new diesel generator in order to allow the operation with two diesel generators per busbar. 2) To work with the two emergency busbars not coupled as normal operation mode. 3) To eliminate the hydraulic generator from the emergency power supply system, in order to simplify the operation and to reduce the failure possibility. Without the hydraulic turbine generator, the emergency busbars loose the interruption free condition. For this reason, for the loads that are not able for this mode of operation and are connected to the emergency power supply system, two additional low-voltage interruption free busbars are necessary. Finally, this proposal is compared with the Atucha II N.P.P. emergency power supply system. (Author)

Xenon oscillation in a large PHWR core (Atucha II type): TRISIC code applicability

International Nuclear Information System (INIS)

Solanilla, Roberto

2000-01-01

A three dimensional nuclear reactor simulation code (TRISIC) was developed many years ago to design a PHWR (pressurizer heavy water reactors - Atucha type) based in the 'source-sink model' (heterogeneous theory). The limited processor computational performance available at that time was the constraint of the code when a detailed reactor description was necessary. A modern PC (pentium) code version with a full reactor core representation (461 fuel channels) including diagonal control rod banks and flux-reading detectors with theirs tube guide was used in the present paper for simulation of the Xenon transient when a local asymmetric perturbation was produced in a large core (Atucha II type). The results obtained and the computer time required for the 70 hour's simulation with an adequate time step, established the potential of the code to deal with this kind of transients. The paper shows that the method of TRISIC allows to detect and control azimuthal, radial and axial oscillation. This code is a proper way to elaborate a program of control rods movement from the flux reading detectors to damp the oscillation. TRISIC could also be a accurate tool to supervise the full core flux distribution in real time during the operation of the reactor. (author)

Micrometeorological study of the Atucha Nuclear Power Plant site

International Nuclear Information System (INIS)

Berri, G.J.; Robbio, C.A.

1986-01-01

The evaluation of time meteorological data obtained at the micrometeorological station of the Atucha Power Plant during 1979, is presented. Special attention is given to the transport and atmospheric dispersion characteristics through the evaluation of the mean and hourly wind behaviour and the stability classes. Furthermore, it is obtained an estimation of the dispersion factors both for short-term and long-term releases using Gaussians models. As these factors are representative of mean conditions, they should not be applied to the analysis of isolated situations. Finally it is emphasized that, although the results were obtained by means of 1979 data, significative differences are not expected for other years. (M.E.L.) [es

Modelling of blackout sequence at Atucha-1 using the MARCH3 code

International Nuclear Information System (INIS)

Baron, J.; Bastianelli, B.

1997-01-01

This paper presents the modelling of a complete blackout at the Atucha-1 NPP as preliminary phase for a Level II safety probabilistic analysis. The MARCH3 code of the STCP (Source Term Code Package) is used, based on a plant model made in accordance with particularities of the plant design. The analysis covers all the severe accident phases. The results allow to view the time sequence of the events, and provide the basis for source term studies. (author). 6 refs., 2 figs

C A R A fuel element for Atucha nuclear power plants and development plan

International Nuclear Information System (INIS)

Brasnarof, D. O; Marino, A. C; Bianchi, D; Giorgis M A; Orlando, O; Munoz, C; Taboada, H; Florido, P. C

2006-01-01

This paper presents the current state and the development plan of the C A R A fuel element.Main activities were carried out towards to welding of the end plates of the C A R A fuel element by a new process, and the assembling and hanging of the C A R A fuel element in its Atucha configuration, by using an external basket [es

The application of the PARCS neutronics code to the Atucha-I and Atucha-II NPPs

Energy Technology Data Exchange (ETDEWEB)

Ward, Andrew; Collins, Ben; Xu, Yunlin; Downar, Thomas [Purdue University, West Lafayette, IN (United States); Madariaga, Marcelo [Autoridad Nuclear Regulatoria, Buenos Aires (Argentina)

2008-07-01

In order to analyze Central Nuclear Atucha II (CNA-II) with coupled RELAP5/PARCS, extensive benchmarking of the neutronics codes HELIOS and PARCS was completed. This benchmarking was performed using a range of test problems designed in collaboration with NA-SA. HELIOS has been previously used to model Candu systems, but the results were validated for this case as well. The validation of both HELIOS and PARCS was performed primarily by comparisons to MCNP results for the same problems. Though originally designed to model light water systems, the capability of the PARCS was validated for predicting the performance of a Pressurized Heavy Water Reactor. The other noteworthy issue was the control rods. Because the insertion of the rods is oblique, a special routine was added to PARCS to treat this effect. Lattice level and Core level calculations were compared to the corresponding NA-SA codes WIMS and PUMA. In all cases there was good agreement in the results which provided confidence that the neutronics methods and the core neutronics modelling would not be a significant source of error in coupled RELAP5/PARCS calculations. (authors)

The experience gained at various stages of the Atucha nuclear power plant project

International Nuclear Information System (INIS)

Cosentino, J.O.

1977-01-01

The paper describes the experience gained in Argentina at the successive stages of planning, feasibility study, decision-making, awarding of contracts, construction and operation of the first nuclear power plant in Latin America. In particular, the operating experience accumulated so far is summarized together with the requirements for preparing operating tables for the plant. The role of the Atucha plant is also described in connection with the second plant under construction and the third in the planning stage [es

Regulatory actions towards dose reduction at Atucha 1 NPS

International Nuclear Information System (INIS)

Spano, F.; Curti, A.R.; Telleria, D.M.; Rudelli, M.D.

1998-01-01

Atucha 1, a nuclear power plant designed in the late sixties, is in commercial operation since June 1974. In some internal components such as the coolant channels, the station has Stellite-6, a high cobalt content alloy (up to 60%) for hard-facing application. The erosion and corrosion processes on the surfaces of the piping components of the primary coolant and moderator systems generate a varied type of particles oxides called 'crud'. The crud and cobalt 60 produced by neutron activation of cobalt are transferred by the water along the circuit of the coolant and moderator systems, producing deposits on internal surfaces. The cobalt deposits are dominant in radiation fields at working locations. For years, the Authority allowed a considerable number of station workers incurring doses near the limit since that installation had been built previously to introduction of the optimisation concept by ICRP publication 26. The recommendations included in ICRP publication 60 made more than difficult the radiological situation at the Atucha 1. For the facility, to comply with the new limit established by the Authority in January 1995, meant to carry out a substantial modification of the radiological conditions, specially the radiation fields due to cobalt 60. Some options to reduce individual and collective doses were analysed by the Authority. To carry out the evaluation of the deposit mechanisms and the real activity level of cobalt 60, a model of compartments connected by means of constant transfer coefficients was designed. It was concluded that there was a necessity to the change of coolant channels by new ones free of cobalt. It has been shown experimentally that radiation fields and occupational doses were reduced, due to the replacement programme carried out by the utility, in a similar way to the model predictions. At present after more than three years from the beginning of the application of the new limits, and after carrying out partially the tasks for the

Utilization of noise analysis technique for mechanical vibrations estimation in the ATUCHA1 and Embalse Argentine NPP

International Nuclear Information System (INIS)

Lescano, V.H.; Wentzeis, L.M.; Guevara, M.; Moreno, C.; Pineyro, J.

1996-01-01

In Argentine, comprehensive noise measurements have been performed with the reactor instrumentation of the PHWR power plant Atucha I and Embalse. The Embalse reactor is a CANDU-600 (600 Mwe) type pressurized heavy water reactor. It's a heavy water moderator and heavy water cooled natural uranium fueled pressure tube system. Signal of vanadium and platinum type in core-self power neutron detectors of ex-core ion chambers and of a moderator pressure sensor have been recorded and analysed. The vibration of reactor internals as vertical and horizontal in-core neutron flux detectors units and the coolant channels systems, consisting of calandria and pressure tubes with fuel bundles, have been identified and monitored during normal reactor operation. Atucha I, is a PHWR reactor natural uranium fueled, and heavy water moderated and cooled. Neutron noise techniques using of ex-core ionization chambers and in-core Vanadium SPND's were implemented, among others, in order to produce early detection of anomalous vibrations in the reactor internals. Noise analysis was successfully performed to identify normal and peculiar vibrations in particular reactor internals. (author)

Operation of Atucha I nuclear power plant with 25 cooling channels without fuel elements

International Nuclear Information System (INIS)

Perez, R.A.; Sidelnik, J.I.; Salom, G.F.

1987-01-01

In view of the need of removing the irradiation probes from the reactor of Atucha I nuclear power plant, a study about the consequences of operating with 25 channels without their respective fuel elements was performed. This condition was simulated by means of the code PUMA symmetry I and the consequences were analyzed. From the study resulted a program of stepped power reduction of the nuclear plant that would take place during the process of channel emptying. (Author)

Anomalous absorption in H2CN and CH2CN molecules

Indian Academy of Sciences (India)

Abstract. Structures of H2CN and CH2CN molecules are similar to that of H2CO mole- cule. The H2CO has shown anomalous absorption for its transition 111 − 110 at 4.8 GHz in a number of cool molecular clouds. Though the molecules H2CN and CH2CN have been identified in TMC-1 and Sgr B2 through some ...

Utilization of noise analysis technique for mechanical vibrations estimation in the ATUCHA{sub 1} and Embalse Argentine NPP; Uso de la tecnica de analisis de ruido para la estimacion de vibraciones mecanicas en las centrales nucleares argentinas Atucha I y Embalse

Energy Technology Data Exchange (ETDEWEB)

Lescano, V.H.; Wentzeis, L.M. [Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Centro Atomico Constituyentes; Guevara, M.; Moreno, C. [Nucleoelectrica Argentina S.A., Cordoba (Argentina). Central Nuclear Embalse; Pineyro, J. [Nucleoelectrica Argentina S.A., Buenos Aires (Argentina). Central Nuclear Atucha I

1996-07-01

In Argentine, comprehensive noise measurements have been performed with the reactor instrumentation of the PHWR power plant Atucha I and Embalse. The Embalse reactor is a CANDU-600 (600 Mwe) type pressurized heavy water reactor. It's a heavy water moderator and heavy water cooled natural uranium fueled pressure tube system. Signal of vanadium and platinum type in core-self power neutron detectors of ex-core ion chambers and of a moderator pressure sensor have been recorded and analysed. The vibration of reactor internals as vertical and horizontal in-core neutron flux detectors units and the coolant channels systems, consisting of calandria and pressure tubes with fuel bundles, have been identified and monitored during normal reactor operation. Atucha I, is a PHWR reactor natural uranium fueled, and heavy water moderated and cooled. Neutron noise techniques using of ex-core ionization chambers and in-core Vanadium SPND's were implemented, among others, in order to produce early detection of anomalous vibrations in the reactor internals. Noise analysis was successfully performed to identify normal and peculiar vibrations in particular reactor internals. (author)

The Text of the Agreement between the Agency and Argentina for the Application of Safeguards to the Atucha Power Reactor Facility

Energy Technology Data Exchange (ETDEWEB)

NONE

1973-01-25

The text of the Agreement between the Agency and the Government of the Republic of Argentina for the Application of Safeguards to the Atucha Power Reactor Facility is reproduced in this document for the information of all Members.

Atucha II nuclear power plant digital simulation

International Nuclear Information System (INIS)

Santome, D.; Rovere, L.A.T.

1987-01-01

This paper describes the start-up of a digital simulation code apt to be performed in real time of Atucha II nuclear power plant, foreseeing its subsequent usage in a Basic Principles Simulator. Adaptability and modification of existing routines and development of modules in order to incorporate the necessary variables dynamics to couple the different modes, were the main tasks. The mathematical model used allows the representation of the following sub-systems: a) a reactor's core point model, which comprehends the neutronic kinetics, fission and decaying powers, thermal transfer and Xe-poisoning calculation; b) pressurizer, which considers two sub-systems that may or may not be in thermodynamic equilibrium, both in two phases; c) coolants and moderators bonds considering separate moderator loops with the aim of introducing asymmetric perturbations; d) secondary sub-subsystem, which includes the feed water loop, pumps, steam generators and control valves; e) steam generators; f) control and safety systems, including power control, steam generators levels, moderator's temperature primary loop system, limitations and protection. (Author)

Activity determination for neutron dosimetry in the vigilance programme for the pressure vessel in Atucha I nuclear power plant

International Nuclear Information System (INIS)

Furnari, J.C.; Cohen, I.M.; Ciriani, D.F.; Helzel Garcia, J.

1993-01-01

The methodologies for the activity determination of Co-60, Nb-93m and Nb-94 in flux monitors are presented. This was done in order to evaluate dose and damage caused by radiation received by pressure vessel materials of the Atucha I nuclear power plant for its surveillance program. (author)

Comparison of vibration test results for Atucha II NPP and large scale concrete block models

International Nuclear Information System (INIS)

Iizuka, S.; Konno, T.; Prato, C.A.

2001-01-01

In order to study the soil structure interaction of reactor building that could be constructed on a Quaternary soil, a comparison study of the soil structure interaction springs was performed between full scale vibration test results of Atucha II NPP and vibration test results of large scale concrete block models constructed on Quaternary soil. This comparison study provides a case data of soil structure interaction springs on Quaternary soil with different foundation size and stiffness. (author)

Measurement of the CNA I's (Atucha I nuclear power plant) control rods reactivity during its commissioning on January 8th, 1990

International Nuclear Information System (INIS)

Waldman, R.M.; Gomez, A.

1990-01-01

Measurements were made on integral and differential calibration of rod 16, fuel racks RG and R3 and extinction reactivity during Atucha I nuclear power plant's commissioning on January 8th., 1990. These were the first physical measurements performed after the first critical nuclear power plant's commissioning. (Author) [es

On the Adjacent Strong Equitable Edge Coloring of Pn ∨ Pn, Pn ∨ Cn and Cn ∨ Cn

OpenAIRE

Liu Jun; Zhao Chuan Cheng; Yao Shu Xia; Guo Ren Zhi; Yue Qiu Ju

2016-01-01

A proper edge coloring of graph G is called equitable adjacent strong edge coloring if colored sets from every two adjacent vertices incident edge are different,and the number of edges in any two color classes differ by at most one,which the required minimum number of colors is called the adjacent strong equitable edge chromatic number. In this paper, we discuss the adjacent strong equitable edge coloring of join-graphs about Pn ∨ Pn, Pn ∨ Cn and Cn ∨ Cn.

Pressure waves transient occurred in the steam generators feedwater lines of the Atucha-1 Nuclear Power Plant

International Nuclear Information System (INIS)

Balino, J.L.; Carrica, P.M.; Larreteguy, A.E.

1993-01-01

The pressure transient occurred at Atucha I Nuclear Power Plant in March 1990 is simulated. The transient was due to the fast closure of a flow control valve at the steam generators feedwater lines. The system was modelled, including the actuation of the relief valves. The minimum closure time for no actuation of the relief valves and the evolution of the velocity and piezo metric head for different cases were calculated. (author)

Compact spent fuel storage at the Atucha I nuclear power plant

International Nuclear Information System (INIS)

Antonaccio, Carlos; Conde, Alberto; Flores, Alexis; Masciotra, Humberto; Sala, Guillermo; Zanni, Pablo

2000-01-01

The object of this report is to verify the possibility to increase the available storage of irradiated fuel assemblies, placed in the spent fuel pools of the Atucha I nuclear power plant. There is intends the realization of structural modifications in the storage bracket-suspension beam (single and double) for the upper and lower level of the four spent fuel pools. With these modifications that increase the storage capacity 25%, would arrive until the year 2014, it dates dear for the limit of the commercial operation of nuclear power plant. The increase of the capacity in function of the permissible stress for the supports of the bracket-suspension beam. They should be carried out 5000 re-accommodations of irradiated fuel assemblies. The task would demand approximately 3 years. (author)

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds. The two-CN system approach

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.

2011-10-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN values can be estimated by being selected from tables. However, it is more accurate to estimate the CN value from measured rainfall-runoff data (assumed available) in a watershed. Previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. They suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the novel hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of the inevitable presence of soil-cover complex spatial variability along watersheds is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behavior of the CN-rainfall function produced by the proposed two-CN system concept is approached theoretically, it is analyzed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous original method based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one), a clear physical reasoning for them is presented.

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds - the two-CN system approach

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.

2012-03-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN parameter values corresponding to various soil, land cover, and land management conditions can be selected from tables, but it is preferable to estimate the CN value from measured rainfall-runoff data if available. However, previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. Hence, they suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of soils and land cover spatial variability on its hydrologic response is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behaviour of the CN-rainfall function produced by the simplified two-CN system is approached theoretically, it is analysed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous methods based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one), a clear physical reasoning for them is presented.

CN radical in diffuse interstellar clouds

International Nuclear Information System (INIS)

Federman, S.R.; Danks, A.C.; Lambert, D.L.

1984-01-01

A survey of 15 lines of sight for the CN B 2 Σ + --X 2 Σ + interstellar absorption lines shows that the CN column density in diffuse interstellar clouds follows the relation log N(CN)proportionalm log N(H 2 ), where mroughly-equal3. This result is reproduced by a reaction network in which CN is produced primarily from C 2 by the neutral-neutral reaction C 2 +N → CN+C, and photodissociation is the main destruction pathway for the neutral molecules CH, C 2 , and CN. The CN radical is the first molecular species observed in diffuse clouds that requires a neutral-neutral reaction for its formation in the gas phase. The network also reproduces the observed ratio N(CN)/N(H 2 )

CN in dark clouds

International Nuclear Information System (INIS)

Churchwell, E.; Bieging, J.H.

1983-01-01

We have detected CN (N = 1--0) emission toward six locations in the Taurus dark cloud complex, but not toward L183 or B227. The two hyperfine components, F = 3/2--1/2 and F = 5/2--3/2 (of J = 3/2--1/2), have intensity ratios near unity toward four locations in Taurus, consistent with large line optical depths. CN column densities are found to be > or approx. =6 x 10 13 cm -2 in those directions where the hyperfine ratios are near unity. By comparing CN with NH 3 and C 18 O column densities, we find that the relative abundance of CN in the Taurus cloudlets is at least a factor of 10 greater than in L183. In this respect, CN fits the pattern of enhanced abundances of carbon-bearing molecules (in partricular the cyanopolyynes) in the Taurus cloudlets relative to similar dark clouds outside Taurus

Concept and structure of instrumentation and control of the Atucha II nuclear power plant

International Nuclear Information System (INIS)

Garzon, D.; Roca, J.L.

1987-01-01

The general structure of instrumentation and control of Atucha II nuclear power plant as well as the technologies used, are described: concepts of functional decentralization and physical centralization; concept of functional group and functional complex; description of the technologies used (physical support) in the project of plant instrumentation and control; description of the different automation levels on the basis of concepts of control interface, automatism, regulation, group and subgroup controls; principles of signal conditioning; concept of announcement of alarms and state: supervisory computer, description of HAS (Hard wired Alarm System) and CAS (Computer Alarm System); application of the above mentioned structure to the project of another type of plants. (Author)

Proposal of Ex-Vessel dosimetry for pressure vessel Atucha II

International Nuclear Information System (INIS)

Chiaraviglio, N.; Bazzana, S.

2013-01-01

Nuclear reactor dosimetry has the purpose of guarantee that changes in material mechanical properties of critical materials do not compromise the reactor safety. In PWR in which the top of the reactor vessel is open once a year, is possible to use Charpy specimens to measure the change in mechanical properties. Atucha II nuclear power plant is a reactor with on-line refueling so there is no access to the inside of the pressure vessel. Because of this, ex-vessel dosimetry must be performed and mechanical properties changes must be inferred from radiation damage estimations. This damage can be calculated using displacement per atom cross sections and a transport code such as MCNP. To increase results reliability it is proposed to make a neutron spectrum unfolding using activation dosimeters irradiated during one operation cycle of the power plant. In this work we present a dosimetry proposal for such end, made in base of unfolding procedures and experimental background. (author) [es

Implementation of the utilization program for the fuel elements of the Atucha I nuclear power plant

International Nuclear Information System (INIS)

Martin, H.R.; Serra, O.H.; Parker, Alejandro

1981-01-01

The programming operation for the use of the fuel elements in the Atucha-1 nuclear power plant was initially under the responsibility of the KWU Company, as part of the services rendered due for the manufacturing of said elements. This job was done with the help of the TRISIC program, developed in the early seventies by CNEA and SIEMENS staff. From april 21, 1979 on, CNEA took over the responsibility and strategy of the interchange of fuel elements. The several stages carried out for the implementation of this service are detailed. (M.E.L.) [es

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds – the two-CN system approach

Directory of Open Access Journals (Sweden)

J. D. Valiantzas

2012-03-01

Full Text Available The Soil Conservation Service Curve Number (SCS-CN approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN parameter values corresponding to various soil, land cover, and land management conditions can be selected from tables, but it is preferable to estimate the CN value from measured rainfall-runoff data if available. However, previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. Hence, they suggested the determination of a single asymptotic CN value observed for very high rainfall depths to characterize the watersheds' runoff response. In this paper, the hypothesis that the observed correlation between the calculated CN value and the rainfall depth in a watershed reflects the effect of soils and land cover spatial variability on its hydrologic response is being tested. Based on this hypothesis, the simplified concept of a two-CN heterogeneous system is introduced to model the observed CN-rainfall variation by reducing the CN spatial variability into two classes. The behaviour of the CN-rainfall function produced by the simplified two-CN system is approached theoretically, it is analysed systematically, and it is found to be similar to the variation observed in natural watersheds. Synthetic data tests, natural watersheds examples, and detailed study of two natural experimental watersheds with known spatial heterogeneity characteristics were used to evaluate the method. The results indicate that the determination of CN values from rainfall runoff data using the proposed two-CN system approach provides reasonable accuracy and it over performs the previous methods based on the determination of a single asymptotic CN value. Although the suggested method increases the number of unknown parameters to three (instead of one, a clear physical reasoning for them is presented.

Mixed wastes treatment in Atucha I; Tratamiento de residuos mixtos de la CNA I (central nuclear Atucha I)

Energy Technology Data Exchange (ETDEWEB)

Varani, J L; Comandu, J F [Comision Nacional de Energia Atomica, Buenos Aires (Argentina)

1998-07-01

Full text: During decontamination works of the fueling machine of Atucha I nuclear power plant (AINPP), a liquid waste with special characteristics was generated, which needed the development of a treatment method. The waste consisted of an emulsion designed for the cleaning of mechanical components and was formed by an organic solvent dispersed in water with aid of an emulsifier additive. After several cleaning operations, the emulsion contained an important quantity of lubricants and radioactive dirt. The treatment had the objective of recycling a toxic waste such as the organic solvent and reducing the volume of the residual mass. Laboratory tests were made tending to the emulsion separation in their components. Ionic force and ionic mobility were modified for join the emulsion micelles and produce their coalescence. Different salts and working temperatures were tried and it was stated that the combination of 1% of Na{sub 2}SO{sub 4} added and 40 degree C temperature were the optimum taking into account the available equipment in AINPP and cost considerations. The process was carried out in batch mode and 3 residual streams were obtained, an aqueous one which was sent to Residual Water System of AINPP, an organic liquid consisting of decontaminated hydrocarbons, useful for other cleaning tasks and finally a solid one, sited in the in-between interface of the other two liquids, consisting of insoluble soaps used as lubricant thickness, containing the principal proportion of radioactivity. As a result of this process we have achieved a volume reduction higher than 90%, the recycling of the organic solvent and concentration of radioactivity in a solid greasy mass with low water solubility. (author) [Spanish] Texto completo: Como resultado de tareas de descontaminacion de la maquina de carga de la central nuclear Atucha I (CNAI) se genero un residuo liquido de caracteristicas especiales, que requirio el desarrollo de un metodo de tratamiento. El residuo consistia en

Detection and analysis of thermal energy loss in the Atucha I nuclear power plant residual heat removal system

International Nuclear Information System (INIS)

Berra, Sandra; Guala, Mariana I.; Khon, Hector; Lorenzo, Andrea T.; Raffo Calderon, Maria C.; Urrutia, Guillermo

1999-01-01

It is presented the methodology used to detect and to measure energy losses which are existent in the Atucha I nuclear power plant. They were not directly detected, since the magnitude of those was below of the instrumentation precision which is used to measure the electric and thermal power in the plant. To achieve this work temperature special measurements were made. In this way it was possible to quantify the energy losses after operational long periods. (author)

Nanomechanical properties of TiCN and TiCN/Ti coatings on Ti prepared by Filtered Arc Deposition

International Nuclear Information System (INIS)

Sun, Yong; Lu, Cheng; Yu, Hailiang; Kiet Tieu, A.; Su, Lihong; Zhao, Yue; Zhu, Hongtao; Kong, Charlie

2015-01-01

Monolayer TiCN and multilayer TiCN/Ti coatings were deposited on the surface of Ti using the Filtered Arc Deposition System (FADS). Nanoindentation tests were performed on both coatings. The multilayer TiCN/Ti coating exhibited better ductility than the monolayer TiCN coating. The lattice constants of the coatings were characterized by X-ray diffraction. Transmission Electron Microscopy (TEM) was used to investigate the fracture behavior of the coatings. Inter-columnar, inclined and lateral cracks were found to be the dominant crack modes in the monolayer TiCN coatings while small bending crack and radial crack were the dominant crack modes in the multilayer TiCN/Ti coatings. The Finite Element Method (FEM) was used to simulate the indentation process. It was found that the Ti interlayer in the multilayer TiCN/Ti coating could efficiently suppress the fracture, which is responsible for the improved ductility of the multilayer TiCN/Ti coating

Clues to NaCN formation

Science.gov (United States)

Quintana-Lacaci, G.; Cernicharo, J.; Velilla Prieto, L.; Agúndez, M.; Castro-Carrizo, A.; Fonfría, J. P.; Massalkhi, S.; Pardo, J. R.

2017-11-01

Context. ALMA is providing us essential information on where certain molecules form. Observing where these molecules emission arises from, the physical conditions of the gas, and how this relates with the presence of other species allows us to understand the formation of many species, and to significantly improve our knowledge of the chemistry that occurs in the space. Aims: We studied the molecular distribution of NaCN around IRC +10216, a molecule detected previously, but whose origin is not clear. High angular resolution maps allow us to model the abundance distribution of this molecule and check suggested formation paths. Methods: We modeled the emission of NaCN assuming local thermal equilibrium (LTE) conditions. These profiles were fitted to azimuthal averaged intensity profiles to obtain an abundance distribution of NaCN. Results: We found that the presence of NaCN seems compatible with the presence of CN, probably as a result of the photodissociation of HCN, in the inner layers of the ejecta of IRC +10216. However, similar as for CH3CN, current photochemical models fail to reproduce this CN reservoir. We also found that the abundance peak of NaCN appears at a radius of 3 × 1015 cm, approximately where the abundance of NaCl, suggested to be the parent species, starts to decay. However, the abundance ratio shows that the NaCl abundance is lower than that obtained for NaCN. We expect that the LTE assumption might result in NaCN abundances higher than the real ones. Updated photochemical models, collisional rates, and reaction rates are essential to determine the possible paths of the NaCN formation. Based on observations carried out with ALMA and the IRAM 30 m Telescope. ALMA is a partnership of ESO (representing its member states), NSF (USA) and NINS (Japan), together with NRC (Canada) and NSC and ASIAA (Taiwan), in cooperation with the Republic of Chile. The Joint ALMA Observatory is operated by ESO, AUI/NRAO and NAOJ. IRAM is supported by INSU/CNRS (France

Water chemistry of Atucha II PHWVR. Design concepts and evolution

International Nuclear Information System (INIS)

Chocron, Mauricio; Rodriguez, Ivanna; Duca, Jorge; Fernandez, Ricardo; Rico, Jorge

2007-01-01

Full text: Atucha II is a pressurized heavy water vessel reactor designed by Siemens-KWU, currently part of AREVA NP, of 745 MWe and similar to Atucha I, which has been in operation over 25 years. The primary heat transport system (PHTS) is composed by vertical channels (277-313 C degrees) that allocate the fuel elements while the moderator circuit is composed by a partially separated circuit (142-173 C degrees). The moderation power is transferred to the feedwater through the moderator heat exchangers (HX). These HXs operate as the last, high pressure water-steam cycle heaters as well. Materials (with exception of fuel channels and fuel sheaths which are made of zirconium alloys) are all austenitic steels while cobalt containing alloys have been all replaced at the design stage. Steam generator and moderator HX tubing are Alloy 800 made. The core is operated without boron except with the first fresh nucleus. The secondary circuit or Balance of plant (BOP) is similar in conception to that of a PWR but the moderator HXs. It is entirely built of ferrous alloys, has a feedwater-deaerator tank and moisture separator. The energy sink is the Rio de la Plata River. The Reactors Chemistry Department, Chemistry Division, National Atomic Energy Commission, in its character of R and D institution has been committed by CNA II-N.A.S.A Project to prepare the water chemistry specifications, water chemistry engineering and manuals, considering the type of reactor, design and construction aspects and operation characteristics, taking into account the current state-of-the art and worldwide standards. This includes conceptual aspects and implementation and operative aspects as well. This documentation will be released after a designer's review as it has been stated in the respective agreement. Respecting the confidentiality agreement between CNEA and NASA and the confidentiality regarding handling original documentation provided by the designer, it is considered illustrative to

Thermophysical properties of the ionic liquids [EMIM][B(CN)4] and [HMIM][B(CN)4].

Science.gov (United States)

Koller, Thomas M; Rausch, Michael H; Ramos, Javier; Schulz, Peter S; Wasserscheid, Peter; Economou, Ioannis G; Fröba, Andreas P

2013-07-18

In the present study, the thermophysical properties of the tetracyanoborate-based ionic liquids (ILs) 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][B(CN)4]) and 1-hexyl-3-methylimidazolium tetracyanoborate ([HMIM][B(CN)4]) obtained by both experimental methods and molecular dynamics (MD) simulations are presented. Conventional experimental techniques were applied for the determination of refractive index, density, interfacial tension, and self-diffusion coefficients for [HMIM][B(CN)4] at atmospheric pressure in the temperature range from 283.15 to 363.15 K. In addition, surface light scattering (SLS) experiments provided accurate viscosity and interfacial tension data. As no complete molecular parametrization was available for the MD simulations of [HMIM][B(CN)4], our recently developed united-atom force field for [EMIM][B(CN)4] was partially transferred to the homologous IL [HMIM][B(CN)4]. Deviations between our simulated and experimental data for the equilibrium properties are less than ±0.3% in the case of density and less than ±8% in the case of interfacial tension for both ILs. Furthermore, the calculated and measured data for the transport properties viscosity and self-diffusion coefficient are in good agreement, with deviations of less than ±30% over the whole temperature range. In addition to a comparison with the literature, the influence of varying cation chain length on thermophysical properties of [EMIM][B(CN)4] and [HMIM][B(CN)4] is discussed.

Model and simulation of the hydraulic turbine speed regulator of the Atucha I nuclear power plant

International Nuclear Information System (INIS)

Copparoni, G.; Etchepareborda, A.; Urrutia, G.

1992-01-01

The hydraulics turbines of Atucha I Nuclear Power Plant takes advantage of condenser cooling water level difference between the plant and the river to recover about 2,5 MW e. It also supplies emergency power until diesel generators start up. Speed regulation is needed due to the transients that during this process occur. The purpose is to minimize the diesels start up time, and to avoid overshoots on the internal grid frequency. The hydraulic turbine, its speed regulator and the electric system associated with this transient have been modeled. The models and some simulation results are presented in this work. (author)

SCS-CN parameter determination using rainfall-runoff data in heterogeneous watersheds. The two-CN system approach

OpenAIRE

K. X. Soulis; J. D. Valiantzas

2011-01-01

The Soil Conservation Service Curve Number (SCS-CN) approach is widely used as a simple method for predicting direct runoff volume for a given rainfall event. The CN values can be estimated by being selected from tables. However, it is more accurate to estimate the CN value from measured rainfall-runoff data (assumed available) in a watershed. Previous researchers indicated that the CN values calculated from measured rainfall-runoff data vary systematically with the rainfall depth. The...

Solid solution cermet: (Ti,Nb)(CN)-Ni cermet.

Science.gov (United States)

Kwon, Hanjung; Jung, Sun-A

2014-11-01

Solid solution powders without W, (Ti,Nb)(CN) powders with a B1 structure (NaCl like), were synthesized by high energy milling and carbothermal reduction in nitrogen. The range of molar ratios of Ti/Nb for forming complete (Ti,Nb)(CN) phase was broader than that of Ti/W for the (Ti,W)(CN) phase because carbide or carbonitride of Nb had a B1 crystal structure identical to Ti(CN) while WC had a hexagonal crystal structure. The results revealed that the hardness of (Ti,Nb)(CN)-Ni cermets was higher than that of (Ti,W)(CN)-Ni cermets. The lower density of the (Ti,Nb)(CN) powder contributed to the higher hardness compared to (Ti,W)(CN) because the volumetric ratio of (Ti,Nb)(CN) in the (Ti,Nb)(CN)-Ni cermets was higher than that of (Ti,Nb)(CN) in the (Ti,W)(CN)-Ni cermets at the same weight ratio of Ni. Additionally, it was assumed that intrinsic the properties of (Ti,Nb)(CN) could also be the cause for the high hardness of the (Ti,Nb)(CN)-Ni cermets.

Sampling and characterization of spent exchange resins of Atucha I nuclear power plant

International Nuclear Information System (INIS)

Varani, Jose L.; Cernadas, D.; Iglesias, Alberto M.; Raffo Calderon, Maria del C.

2004-01-01

The present storage facilities for spent resins in Atucha I NPP would be full within the next 5 years, accordingly some tasks are being planned to conditioning these waste and so generate enough storage capacity for the remaining life of the plant. Among this tasks is the characterization of spent resins that has several objectives: to know their chemical and radiochemical composition; the homogeneity of these parameters in the total volume of spent resins; the existence or not of compact zones; the proportion of 'crud'; the breakage degree of the micro-spheres; etc. The first step was to analyse the criterion to follow for sampling resins in the storage deposit of 40 m 3 . In order to take some samples from different points, a special device was required. It had to be introduced closed in the resin bed, opened to take the sample and then closed again to return to the surface. A device used in cereal industry for sampling silos to different depths was modified in its internal capacity for reducing operator dose and increasing the length of rod in order to reaching the bottom of the pit. The device was tested in cold mock up before to taking actual samples. Active resins samples, five in total up to now, were taken from deposit to different depths and kept in lead containers. After analysing the samples, the following average results were extracted: 1.7 x 10 5 Bq/g of Co-60, 9.7 x 10 5 Bq/g of Cs-137 and 774 Bq/g of total alpha, which corresponds to intermediate activity waste. The differences between the values of activity of the different samples are of up to 310 % for Co-60 and of up to 788 % for the Cs-137 what indicates a great inhomogeneity. The direct observation of resin grains, placed in a transparent glass burette, did not demonstrate an important proportion of broken or divided resins. (author)

Atucha I nuclear power plant azimuthal ex-vessel flux profile evaluation

International Nuclear Information System (INIS)

Ferraro, Diego

2008-01-01

Irradiation damage in RPV (Reactor Pressure Vessel) in nuclear power plants is a key parameter to be analyzed in order to assess the plant integrity up to end of life and planning for a possible plant life extension. In this work a neutronic model in MCNP that represents a sector of 30 degrees of the Atucha I power plant nucleus has been consolidated with the results of an ex-vessel dosimetry made in the outer surface of the RPV s power plant in order to analyse the irradiation damage through the dpa rate. A strong dependents of the maximum point of damage with the loading of a peripheral channel was found, so a mitigation strategy was proposed, which is basically to empty this channel and its analogs in the rest of the nucleus. Analysing this second case a notable decrease of the damage is found in the zone considerated on the model (shown through the drop of de dpa rate in the zone). [es

Mixed wastes treatment in Atucha I

International Nuclear Information System (INIS)

Varani, J.L.; Comandu, J.F.

1998-01-01

Full text: During decontamination works of the fueling machine of Atucha I nuclear power plant (AINPP), a liquid waste with special characteristics was generated, which needed the development of a treatment method. The waste consisted of an emulsion designed for the cleaning of mechanical components and was formed by an organic solvent dispersed in water with aid of an emulsifier additive. After several cleaning operations, the emulsion contained an important quantity of lubricants and radioactive dirt. The treatment had the objective of recycling a toxic waste such as the organic solvent and reducing the volume of the residual mass. Laboratory tests were made tending to the emulsion separation in their components. Ionic force and ionic mobility were modified for join the emulsion micelles and produce their coalescence. Different salts and working temperatures were tried and it was stated that the combination of 1% of Na 2 SO 4 added and 40 degree C temperature were the optimum taking into account the available equipment in AINPP and cost considerations. The process was carried out in batch mode and 3 residual streams were obtained, an aqueous one which was sent to Residual Water System of AINPP, an organic liquid consisting of decontaminated hydrocarbons, useful for other cleaning tasks and finally a solid one, sited in the in-between interface of the other two liquids, consisting of insoluble soaps used as lubricant thickness, containing the principal proportion of radioactivity. As a result of this process we have achieved a volume reduction higher than 90%, the recycling of the organic solvent and concentration of radioactivity in a solid greasy mass with low water solubility. (author) [es

Fine-structure resolved rotational transitions and database for CN+H2 collisions

Science.gov (United States)

Burton, Hannah; Mysliwiec, Ryan; Forrey, Robert C.; Yang, B. H.; Stancil, P. C.; Balakrishnan, N.

2018-06-01

Cross sections and rate coefficients for CN+H2 collisions are calculated using the coupled states (CS) approximation. The calculations are benchmarked against more accurate close-coupling (CC) calculations for transitions between low-lying rotational states. Comparisons are made between the two formulations for collision energies greater than 10 cm-1. The CS approximation is used to construct a database which includes highly excited rotational states that are beyond the practical limitations of the CC method. The database includes fine-structure resolved rotational quenching transitions for v = 0 and j ≤ 40, where v and j are the vibrational and rotational quantum numbers of the initial state of the CN molecule. Rate coefficients are computed for both para-H2 and ortho-H2 colliders. The results are shown to be in good agreement with previous calculations, however, the rates are substantially different from mass-scaled CN+He rates that are often used in astrophysical models.

Atucha I nuclear power plant: repair works in QK02W01 moderator system heat exchanger; Central nuclar Atucha I. Intervencion al intercambiador nro2 del moderador

Energy Technology Data Exchange (ETDEWEB)

Olivieri, Luis E; Zanni, Pablo A [Nucleoelectrica Argentina SA (NASA), Lima (Argentina). Central Nuclear Atucha 1

2000-07-01

Atucha I nuclear power plant moderator system operates with highly radioactive heavy water, a pressure of 115 Bar and temperatures of about 200 C degrees. In March 2000, an increasing leakage of heavy water to the conventional thermal circuit was detected, conducting the plant to a shut down. The development of a number of actions and measures were taken, in order to plug this leakage. The leakage was found in a heat exchanger, which is located in a place of difficult access, with a high radiological yield and which, according to design, it was not considered to be mechanically repaired. It is a U bend tubes heat exchanger, weighting about 20 tons, and with a heavy water flow of 800 tons/h on the primary circuit, and 950 tons/h of ordinary water on the secondary side. Foreseeing this event, it had been designed and constructed special equipment and procedures, by means of a contract, with the Company INVAP SA. Repair works were carried out within a period of eighty-six (86) days, from which, forty five days were used to repair the component itself. A considerable amount of time was used to prepare simulators and the training of personnel. Due to the high radiological yield and the strict care of radiological standards, it was necessary the participation of 300 persons, integrating a collective dose of 4,86 Sv-m. It was necessary the construction of platforms and auxiliary stairs so as to make the work place accessible, as well as lifting and movement devices for heavy components, since this area does not have such kind of facilities. Welding and cutting machines remote controlled as well as manipulators which operated in front of the exchanger tube sheet were used. The aim was the reduction of dose values as much as possible. Special shielding were developed and in some cases it was necessary the adoption of drastic measures such as the cutting of bolts or pipes. The failure was detected and the tube was plugged. Also were plugged those tubes with wall thickness

H12CN and H13CN excitation analysis in the circumstellar outflow of R Sculptoris

Science.gov (United States)

Saberi, M.; Maercker, M.; De Beck, E.; Vlemmings, W. H. T.; Olofsson, H.; Danilovich, T.

2017-03-01

Context. The 12CO/13CO isotopologue ratio in the circumstellar envelope (CSE) of asymptotic giant branch (AGB) stars has been extensively used as the tracer of the photospheric 12C/13C ratio. However, spatially-resolved ALMA observations of R Scl, a carbon rich AGB star, have shown that the 12CO/13CO ratio is not consistent over the entire CSE. Hence, it can not necessarily be used as a tracer of the 12C/13C ratio. The most likely hypothesis to explain the observed discrepancy between the 12CO/13CO and 12C/13C ratios is CO isotopologue selective photodissociation by UV radiation. Unlike the CO isotopologue ratio, the HCN isotopologue ratio is not affected by UV radiation. Therefore, HCN isotopologue ratios can be used as the tracer of the atomic C ratio in UV irradiated regions. Aims: We aim to present ALMA observations of H13CN(4-3) and APEX observations of H12CN(2-1), H13CN(2-1, 3-2) towards R Scl. These new data, combined with previously published observations, are used to determine abundances, ratio, and the sizes of line-emitting regions of the aforementioned HCN isotopologues. Methods: We have performed a detailed non-LTE excitation analysis of circumstellar H12CN(J = 1-0, 2-1, 3-2, 4-3) and H13CN(J = 2-1, 3-2, 4-3) line emission around R Scl using a radiative transfer code based on the accelerated lambda iteration (ALI) method. The spatial extent of the molecular distribution for both isotopologues is constrained based on the spatially resolved H13CN(4-3) ALMA observations. Results: We find fractional abundances of H12CN/H2 = (5.0 ± 2.0) × 10-5 and H13CN/H2 = (1.9 ± 0.4) × 10-6 in the inner wind (r ≤ (2.0 ± 0.25) ×1015 cm) of R Scl. The derived circumstellar isotopologue ratio of H12CN/H13CN = 26.3 ± 11.9 is consistent with the photospheric ratio of 12C/13C 19 ± 6. Conclusions: We show that the circumstellar H12CN/H13CN ratio traces the photospheric 12C/13C ratio. Hence, contrary to the 12CO/13CO ratio, the H12CN/H13CN ratio is not affected by UV

The Argentine nuclear policy: evaluation and proposals of the National Atomic Energy Commission. Privatization of the nuclear power plants and the situation of Atucha II. Addendum 1

International Nuclear Information System (INIS)

2001-01-01

An analysis is made of the possible privatization of the nuclear power plants in Argentina. The urgent definition of a nuclear policy for the short, medium and long term is strongly recommended to the Government together with the conclusion of the construction of the Atucha II nuclear power plant

Atucha-I source terms for sequences initiated by transients

International Nuclear Information System (INIS)

Baron, J.; Bastianelli, B.

1997-01-01

The present work is part of an expected source terms study in the Atucha I nuclear power plant during severe accidents. From the accident sequences with a significant probability to produce core damage, those initiated by operational transients have been identified as the most relevant. These sequences have some common characteristics, in the sense that all of them resume in the opening of the primary system safety valves, and leave this path open for the coolant loss. In the case these sequences continue as severe accidents, the same path will be used for the release of the radionuclides, from the core, through the primary system and to the containment. Later in the severe accident sequence, the failure of the pressure vessel will occur, and the corium will fall inside the reactor cavity, interacting with the concrete. During these processes, more radioactive products will be released inside the containment. In the present work the severe accident simulation initiated by a blackout is performed, from the point of view of the phenomenology of the behavior of the radioactive products, as they are transported in the piping, during the core-concrete interactions, and inside the containment buildings until it failure. The final result is the source term into the atmosphere. (author) [es

Volatile amines treatment: Corrosion rates and Atucha I nuclear power plant experience

International Nuclear Information System (INIS)

Iglesias, Alberto M.; Jimenez Rebagliati, Raul; Raffo Calderon, Maria C.; Manzi, Ricardo

2000-01-01

Steam generators water treatment with volatile amines in place of ammonia is usual today. This option seems an acceptable alternative to the generalize use of ammonia-sodium phosphate and has advantages when copper alloys are present. There are several amines that can work as corrosion inhibitor but the most useful for plant applications are: morpholine, ethanolamine and cyclohexylamine. In this work, are present the obtained results of corrosion rates measurements by electrochemical methods. The hydrothermal conditions of our experiences were similar to that of the Atucha I nuclear power plant (CNA I). pH, conductivity and dissolved oxygen measures were correlated with corrosion rates of the CNA I materials as carbon steel and admiralty brass. The faradaic impedance spectroscopy techniques allows a more detailed interpretation of corrosion rates process. Morpholine and ammonia behavior can be evaluated under power plant operations conditions with the accumulated experience of CNA I. Results are present throughout material release and his effects over heat transfer parameters. (author)

Model of automatic fuel management for the Atucha II nuclear central with the PUMA IV code

International Nuclear Information System (INIS)

Marconi G, J.F.; Tarazaga, A.E.; Romero, L.D.

2007-01-01

The Atucha II central is a heavy water power station and natural uranium. For this reason and due to the first floor reactivity excess that have this type of reactors, it is necessary to carry out a continuous fuel management and with the central in power (for the case of Atucha II every 0.7 days approximately). To maintain in operation these centrals and to achieve a good fuels economy, different types of negotiate of fuels that include areas and roads where the fuels displace inside the core are proved; it is necessary to prove the great majority of these managements in long periods in order to corroborate the behavior of the power station and the burnt of extraction of the fuel elements. To carry out this work it is of great help that a program implements the approaches to continue in each replacement, using the roads and areas of each administration type to prove, and this way to obtain as results the one regulations execution in the time and the average burnt of extraction of the fuel elements, being fundamental this last data for the operator company of the power station. To carry out the previous work it is necessary that a physicist with experience in fuel management proves each one of the possible managements, even those that quickly can be discarded if its don't fulfill with the regulatory standards or its possess an average extraction burnt too much low. For this it is of fundamental help that with an automatic model the different administrations are proven and lastly the physicist analyzes the more important cases. The pattern in question not only allows to program different types of roads and areas of fuel management, but rather it also foresees the possibility to disable some of the approaches. (Author)

Overview of the SEU project for extended burnup at the Atucha-I NPP. Four years of operating experience

International Nuclear Information System (INIS)

Fink, J.M.; Higa, M.; Perez, R.; Pineyro, J.; Sidelnik, J.; Casario, J.A.; Alvarez, L.

2002-01-01

Atucha I is a 357 MWe nuclear station moderated and cooled with heavy water, of German design located in Argentina. Fuelling is on-power and the plant was originally fuelled with natural uranium. To reduce fuel costs a program was initiated in August 1993 to introduce gradually slightly enriched uranium (SEU) fuel (0.85 w% U-235) with an associated burnup increase from 5900 MWd/tU to 11300 MWd/tU. The introduction of SEU fuel started in January 1995 and the program was divided in three Phases with an upper limit of SEU FA in the core: 12, 60 and 252 (full core) and licensing documentation was prepared for each Phase. This paper describes the most important aspects of the operating and project experience, and some factors limiting the burnup extension from an operation point of view. After four years of the program and with 181 SEU FA (71%) of the core, the operating experience has been good and without unfavourable effects due to the use of SEU fuel with the only exception of a small increase of the time to reach full power in plant startups or power cycling. In particular, the new criteria to prevent PCI failures in power ramps for higher burnup SEU fuel in refueling operations, plant startups or power cycling has been effective. The average discharge burnup of the SEU fuel taken out of the reactor in 1998 was 11263 MWd/tU. The average discharge burnup of the natural fuel in the same year was 6640 MWd/tU, with an increase of about 12% of the original value for a natural fuel core. The average number of fresh fuel assemblies per full power day was being reduced from 1.31 to 0.92 in 1998 and 0.83 in 1999. The fuel costs dropped gradually during the program from 9.38 (with natural uranium fuel) to 6.57 $/MWh in the first four months of 1999 (taking as reference the NU and SEU FA costs for 1999). Because of this the SEU program has been an important contribution to the reduction of Atucha I operating costs and to the competitiveness of nuclear power generation against

Experience gathered from the transport of a fuel element prototype of the CNA-II (Atucha-II nuclear power plant) type

International Nuclear Information System (INIS)

Pastorini, A.; Belinco, C.G.; El Bis, E.D.; Sacchi, M.A.; Mayans, C.O.; Martin Ghiselli, A.; Marcora, G.R.

1990-01-01

This work describes the needs to materialize the transport of a fuel element prototype of the CNA-II (Atucha-II nuclear power plant) type, under special conditions, from the Fabrication Pilot Plant sited at the Constituyentes Atomic Center and the Ezeiza Atomic Center, for its subsequent analysis at the High Pressure Experimental Loop. The special conditions under which the transport has been made responded to the fact that the prototype presents a fragile adjustment between rods and separators, necessary to be preserved. (Author) [es

Identification of a potential superhard compound ReCN

International Nuclear Information System (INIS)

Fan, Xiaofeng; Li, M.M.; Singh, David J.; Jiang, Qing; Zheng, W.T.

2015-01-01

Highlights: • We identify a new ternary compound ReCN with theoretical calculation. • The ternary compound ReCN is with two stable structures with P63mc and P3m1. • ReCN is a semiconductor from the calculation of electronic structures. • ReCN is found to possess the outstanding mechanical properties. • ReCN may be synthesized relatively easily. - Abstract: We identify a new ternary compound, ReCN and characterize its properties including structural stability and indicators of hardness using first principles calculations. We find that there are two stable structures with space groups P63mc (HI) and P3m1 (HII), in which there are no C–C and N–N bonds. Both structures, H1 and III are elastically and dynamically stable. The electronic structures show that ReCN is a semiconductor, although the parent compounds, ReC 2 and ReN 2 are both metallic. ReCN is found to possess the outstanding mechanical properties with the large bulk modulus, shear modulus and excellent ideal strengths. In addition, ReCN may perhaps be synthesized relatively easily because it becomes thermodynamic stable with respect to decomposition at very low pressures

Magnetic anisotropy of [Mo(CN)7]4- anions and fragments of cyano-bridged magnetic networks.

Science.gov (United States)

Chibotaru, Liviu F; Hendrickx, Marc F A; Clima, Sergiu; Larionova, Joulia; Ceulemans, Arnout

2005-08-18

Quantum chemistry calculations of CASSCF/CASPT2 level together with ligand field analysis are used for the investigation of magnetic anisotropy of [Mo(CN)7]4- complexes. We have considered three types of heptacyano environments: two ideal geometries, a pentagonal bipyramid and a capped trigonal prism, and the heptacyanomolybdate fragment of the cyano-bridged magnetic network K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O. At all geometries the first excited Kramers doublet is found remarkably close to the ground one due to a small orbital energy gap in the ligand field spectrum, which ranges between a maximal value in the capped trigonal prism (800 cm(-1)) and zero in the pentagonal bipyramid. The small value of this gap explains (i) the axial form of the g tensor and (ii) the strong magnetic anisotropy even in strongly distorted complexes. Comparison with available experimental data for the g tensor of the mononuclear precursors reveals good agreement with the present calculations for the capped trigonal prismatic complex and a significant discrepancy for the pentagonal bipyramidal one. The calculations for the heptacyanomolybdate fragment of K2[Mn(H2O)2]3[Mo(CN)7]2.6H2O give g(perpendicular)/g(parallel) approximately 0.5 and the orientation of the local anisotropy axis close to the symmetry axis of an idealized pentagonal bipyramid. These findings are expected to be important for the understanding of the magnetism of anisotropic Mo(III)-Mn(II) cyano-bridged networks based on the [Mo(CN)7]4- building block.

Operative modes of the primary circuit degasser of Atucha II N.P.P

International Nuclear Information System (INIS)

Rodriguez, Ivanna; Contino, Maximiliano; Chocron, Mauricio; Duca, Jorge

2012-09-01

Atucha II (N.A.S.A., Buenos Aires Province, Argentina) is a Pressurized Vessel Heavy Water Reactor designed by Siemens with a capacity of 740 MWe. After a long delay in construction the plant is close to the commissioning and among the many task that are carried out, chemistry and operation of devices related to it are under consideration [1]. As it is known, Hydrogen or Deuterium dosing has the purpose of both: limitation of the water radiolysis and to provide an appropriate reductive media for the structural materials, mainly stainless steel, A800 and Zr-4. Dealing with a heavy water plant, it is critical to determine whether it is necessary to add D 2 or if it is feasible to dose H 2 , by considering heavy water degradation and heavy water upgrading system capability. Those aspects have been previously analyzed and presented [2]. It is also necessary to consider blankets and venting locations that address to losses of the expensive D 2 . In the present work several alternatives of hydrogenation are presented and evaluated, considering the Degasser (D), the Volume Control Tank (TCV) and the special features of the purification and volume control system of a pressurized vessel heavy water plant where the primary circuit and moderator are partially mixed. Also the influence of venting through the pressurizer is analyzed. Conclusions are obtained in connection to (i) the maintenance of a permanent blanket of H 2 /He, 4%, in the TCV dome at a given initial pressure, (ii) The same but constant pressure to reach 0.6 ppm of H 2 in the Primary and Moderator water circuit, (iii) transients while reducing pressure in the Degasser and considering contribution of pressurizer venting, (iv) estimated contribution of the general corrosion of the system and (iv) differences if D 2 is used. (authors)

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

Science.gov (United States)

Pauzat, F.; Ellinger, Y.; Mclean, A. D.

1991-01-01

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case.

The text of the agreement between the Agency and Argentina for the application of safeguards to the Atucha power reactor facility

International Nuclear Information System (INIS)

1995-01-01

The Agreement between the Republic of Argentina, the Federative Republic of Brazil, the Brazilian-Argentine Agency for Accounting and Control of Nuclear Materials and the International Atomic Energy Agency for the Application of Safeguards came into force on 4 March 1994. As a result of the coming into force of the aforesaid Agreement for Argentina, the application of safeguards under the Agreement of 3 October 1972 between Argentina and the IAEA for the application of safeguards to the Atucha Power Reactor Facility has been suspended

Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible?

International Nuclear Information System (INIS)

Pauzat, F.; Ellinger, Y.; Mclean, A.D.

1991-01-01

Rotational constants and dipole moments for linear-chain radicals CnCH and CnN are estimated using a combinatiaon of ab initio molecular orbital calculations and observed data on the starting members of the series. CnCH with n = 0-5 have been observed by radioastronomy in carbon-rich interstellar clouds; higher members of the series have 2Pi ground states with large dipole moments and are strong candidates for observation. CN and C3N have also been observed by radioastronomy; higher members of the series, with the possible exception of C5N, have 2Pi ground states with near-zero dipole moments making their interstellar detection hopeless under present observational conditions. C5N can be a strong candidate only if it has a 2Sigma ground state, and best computations so far indicate that this is not the case. 20 refs

Evidence of significant covalent bonding in Au(CN)(2)(-).

Science.gov (United States)

Wang, Xue-Bin; Wang, Yi-Lei; Yang, Jie; Xing, Xiao-Peng; Li, Jun; Wang, Lai-Sheng

2009-11-18

The Au(CN)(2)(-) ion is the most stable Au compound known for centuries, yet a detailed understanding of its chemical bonding is still lacking. Here we report direct experimental evidence of significant covalent bonding character in the Au-C bonds in Au(CN)(2)(-) using photoelectron spectroscopy and comparisons with its lighter congeners, Ag(CN)(2)(-) and Cu(CN)(2)(-). Vibrational progressions in the Au-C stretching mode were observed for all detachment transitions for Au(CN)(2)(-), in contrast to the atomic-like transitions for Cu(CN)(2)(-), revealing the Au-C covalent bonding character. In addition, rich electronic structural information was obtained for Au(CN)(2)(-) by employing 118 nm detachment photons. Density functional theory and high-level ab initio calculations were carried out to understand the photoelectron spectra and obtain insight into the nature of the chemical bonding in the M(CN)(2)(-) complexes. Significant covalent character in the Au-C bonding due to the strong relativistic effects was revealed in Au(CN)(2)(-), consistent with its high stability.

Full scale dynamic tests of Atucha II NPP

International Nuclear Information System (INIS)

Konno, T.; Alvarez, L.M.; Ceballos, M.A.; Prato, C.A.; Uchiyama, S.; Godoy, A.R.

1995-01-01

This paper summarizes the main results of a series of dynamic tests of the reactor building of Atucha II NPP performed to determine the dynamic properties of its massive structure deeply embedded in Quaternary soil deposits. Tests were performed under two different types of loading conditions: Steady state harmonic loads imposed by mechanical exciters and impulsive loads induced by dropping a weight on the ground surface in the vicinity. Natural frequencies and mode shapes were identified and the associated modal damping ratios were experimentally determined. Numerical analyses of the reactor building-foundation system by two different F.E. models were performed. One of them, based on an axisymmetric representation of the soil-structure system, was used to simulate the steady state vibration tests and to calculate the dynamic stiffness of the foundation slab and soil layers for comparison with those experimentally obtained. The other, a 3-D F.E. model of the superstructure, was used to assess the natural frequencies and mode shapes obtained from the tests, representing dynamic stiffness of the foundation with stiffness coefficients derived both from the tests and from the axisymmetric F.E. model. Good agreement of the natural frequencies given by two types of tests was generally found, with the largest difference between them in the fundamental frequency of the building. Estimates of modal damping derived from the tests showed significant differences depending on the technique used to calculate them. For the fundamental mode damping was found to be 23-42 %, gradually decreasing with frequency to 2-4 % for around 10 Hz. (author)

Full scale dynamic tests of Atucha II NPP

International Nuclear Information System (INIS)

Prato, C.A.; Ceballos, M.A.; Konno, T.; Uchiyama, S.; Alvarez, L.M.; Godoy, A.R.

1998-01-01

This paper summarizes the main results of a series of dynamic tests of the reactor building of Atucha II NPP performed to determine the dynamic properties of its massive structure deeply embedded in quaternary soil deposits. Tests were performed under two different types of loading conditions: steady state harmonic loads imposed by mechanical exciters and impulsive loads induced by dropping a weight on the ground surface in the vicinity. Natural frequencies and mode shapes were identified and the associated modal damping ratios were experimentally determined. Numerical analyses of the reactor building-foundation system by two different F.E. models were performed. One of them, based on an axisymmetric representation of the soil-structure system, was used to simulate the steady state vibration tests and to calculate the dynamic stiffness of the foundation slab and soil layers for comparison with those experimentally obtained. The other, a 3-D F.E. model of the superstructure, was used to assess the natural frequencies and mode shapes obtained from the tests, representing dynamic stiffness of the foundation with stiffness coefficients derived both from the tests and from the axisymmetric F.E. model. Good agreement of the natural frequencies given by two types of tests were generally found, with the largest difference between them in the fundamental frequency of the building. Estimates of modal damping derived from the tests showed significant differences depending on the technique used to calculate them. For the fundamental mode, damping was found to be 23-42%, gradually decreasing with frequency to 2-4% for ∝10 Hz. (orig.)

Some conclusions obtained from the thermo-hydraulic behavior analysis of the nuclear power plant Atucha I, in case of loss of coolant accident with second heat sink

International Nuclear Information System (INIS)

Ventura, Mirta A.

2003-01-01

This paper is based on the recompilation, analysis and elaboration of the results of the operator (NA-SA), in the framework of the Atucha I Second Heat Sink project. The results have been compared with those obtained for the same power plant without second heat sink. The conclusions of the work permit the establishment of the operation rules of the plant. (author)

Structural, Mechanical and Tribological Properties of NbCN-Ag Nanocomposite Films Deposited by Reactive Magnetron Sputtering

Directory of Open Access Journals (Sweden)

Fanjing Wu

2018-01-01

Full Text Available In this study, reactive magnetron sputtering was applied for preparing NbCN-Ag films with different Ag additions. Ag contents in the as-deposited NbCN-Ag films were achieved by adjusting Ag target power. The composition, microstructure, mechanical properties, and tribological properties were characterized using energy-dispersive X-ray spectroscopy (EDS, X-ray diffraction (XRD, field emission scanning electron microscope (FE-SEM, high resolution transmission electron microscopy (HRTEM, Raman spectrometry, nano-indentation, and high-temperature sliding wear tests. Results indicated that face-centered cubic (fcc NbN, hexagonal close-packed (hcp NbN and fcc Ag, amorphous C and amorphous CNx phase co-existed in the as-deposited NbCN-Ag films. After doping with 2.0 at.% Ag, the hardness and elastic modulus reached a maximum value of 33 GPa and 340 GPa, respectively. Tribological properties were enhanced by adding Ag in NbCN-Ag films at room temperature. When the test temperature rose from 300 to 500 °C, the addition of Ag was found beneficial for the friction properties, showing a lowest friction coefficient of ~0.35 for NbCN-12.9 at.% Ag films at 500 °C. This was mainly attributed to the existence of AgOx, NbOx, and AgNbOx lubrication phases that acted as solid lubricants to modify the wear mechanism.

Quantitative and sensitive analysis of CN molecules using laser induced low pressure He plasma

Energy Technology Data Exchange (ETDEWEB)

Pardede, Marincan [Department of Electrical Engineering, University of Pelita Harapan, 1100 M.H. Thamrin Boulevard, Lippo Village, Tangerang 15811 (Indonesia); Hedwig, Rinda [Department of Computer Engineering, Bina Nusantara University, 9 K.H. Syahdan, Jakarta 14810 (Indonesia); Abdulmadjid, Syahrun Nur; Lahna, Kurnia; Idris, Nasrullah; Ramli, Muliadi [Department of Physics, Faculty of Mathematics and Natural Sciences, Syiah Kuala University, Darussalam, Banda Aceh 23111, NAD (Indonesia); Jobiliong, Eric [Department of Industrial Engineering, University of Pelita Harapan, 1100 M.H. Thamrin Boulevard, Lippo Village, Tangerang 15811 (Indonesia); Suyanto, Hery [Department of Physics, Faculty of Mathematics and Natural Sciences, Udayana University, Kampus Bukit Jimbaran, Denpasar 80361, Bali (Indonesia); Marpaung, Alion Mangasi [Department of Physics, Faculty of Mathematics and Natural Sciences, Jakarta State University, 10 Rawamangun, Jakarta 13220 (Indonesia); Suliyanti, Maria Margaretha [Research Center for Physics, Indonesia Institute of Sciences, Kawasan Puspiptek, Serpong, Tangerang Selatan, 15314 Banten (Indonesia); Tjia, May On [Physics of Magnetism and Photonics Group, Faculty of Mathematics and Natural Sciences, Bandung Institute of Technology, 10 Ganesha, Bandung 40132 (Indonesia); Research Center of Maju Makmur Mandiri Foundation, 40/80 Srengseng Raya, Jakarta 11630 (Indonesia); Lie, Tjung Jie; Lie, Zener Sukra; Kurniawan, Davy Putra; Kurniawan, Koo Hendrik, E-mail: kurnia18@cbn.net.id [Research Center of Maju Makmur Mandiri Foundation, 40/80 Srengseng Raya, Jakarta 11630 (Indonesia); Kagawa, Kiichiro [Research Center of Maju Makmur Mandiri Foundation, 40/80 Srengseng Raya, Jakarta 11630 (Indonesia); Fukui Science Education Academy, Takagi Chuou 2 choume, Fukui 910-0804 (Japan)

2015-03-21

We report the results of experimental study on CN 388.3 nm and C I 247.8 nm emission characteristics using 40 mJ laser irradiation with He and N{sub 2} ambient gases. The results obtained with N{sub 2} ambient gas show undesirable interference effect between the native CN emission and the emission of CN molecules arising from the recombination of native C ablated from the sample with the N dissociated from the ambient gas. This problem is overcome by the use of He ambient gas at low pressure of 2 kPa, which also offers the additional advantages of cleaner and stronger emission lines. The result of applying this favorable experimental condition to emission spectrochemical measurement of milk sample having various protein concentrations is shown to yield a close to linear calibration curve with near zero extrapolated intercept. Additionally, a low detection limit of 5 μg/g is found in this experiment, making it potentially applicable for quantitative and sensitive CN analysis. The visibility of laser induced breakdown spectroscopy with low pressure He gas is also demonstrated by the result of its application to spectrochemical analysis of fossil samples. Furthermore, with the use of CO{sub 2} ambient gas at 600 Pa mimicking the Mars atmosphere, this technique also shows promising applications to exploration in Mars.

Scaling analysis of [Fe(pyrazole)4]2[Nb(CN)8] molecular magnet

International Nuclear Information System (INIS)

Konieczny, P.; Pełka, R.; Zieliński, P.M.; Pratt, F.L.; Pinkowicz, D.; Sieklucka, B.; Wasiutyński, T.

2013-01-01

The critical behaviour of the three dimensional (3D) molecular magnet {[Fe II (pirazol) 4 ] 2 [Nb IV (CN) 8 ]·4H 2 O} n has been studied with the use of experimental techniques such as ac magnetometry and zero field μSR spectroscopy. The sample orders magnetically below T c =7.8 K. The measurements allowed to determine static exponents β, γ, and the dynamic exponent w. The resulting exponent values indicate that the studied system belongs to the universality class of the 3D Heisenberg model. - Highlights: • The critical behaviour of {[Fe II (pirazol) 4 ] 2 [Nb IV (CN) 8 ]∙4H 2 O} n has been studied. • Critical exponents β, γ, and w were obtained from ac magnetometry and ZF µSR data. • All obtained values of critical exponents are close to the 3D Heisenberg model

Formation of Nitriles in the Interstellar Medium via Reactions of Cyano Radicals, CN(X2Σ+), with Unsaturated Hydrocarbons

Science.gov (United States)

Balucani, N.; Asvany, O.; Huang, L. C. L.; Lee, Y. T.; Kaiser, R. I.; Osamura, Y.; Bettinger, H. F.

2000-12-01

; since CH3CCH is the common precursor to H2CCCH(CN)/CH3CCCN and the latter isomer has been assigned unambiguously toward TMC-1 and OMC-1, H2CCCH(CN) is strongly expected to be present in both clouds as well. The formation of isonitrile isomers was not observed in our experiments. Since all reactions to HCCNC, C2H3NC, CH3CCNC, H2CCCH(NC), H2CCC(NC)(CH3), and C6H5NC are either endothermic or the exit barrier is well above the energy of the reactants, neutral-neutral reactions of cyano radicals with closed shell unsaturated hydrocarbons cannot synthesize isonitriles in cold molecular clouds. However, in outflow of carbon stars, the enhanced translational energy of both reactants close to the photosphere of the central star can compensate this endothermicity, and isonitriles might be formed in these hotter environments as well.

Cyanide-limited complexation of molybdenum(III): synthesis of octahedral [Mo(CN)(6)](3-) and cyano-bridged [Mo(2)(CN)(11)](5-).

Science.gov (United States)

Beauvais, Laurance G; Long, Jeffrey R

2002-03-13

Octahedral coordination of molybdenum(III) is achieved by limiting the amount of cyanide available upon complex formation. Reaction of Mo(CF(3)SO(3))(3) with LiCN in DMF affords Li(3)[Mo(CN)(6)] x 6DMF (1), featuring the previously unknown octahedral complex [Mo(CN)(6)](3-). The complex exhibits a room-temperature moment of mu(eff) = 3.80 mu(B), and assignment of its absorption bands leads to the ligand field parameters Delta(o) = 24800 cm(-1) and B = 247 cm(-1). Further restricting the available cyanide in a reaction between Mo(CF(3)SO(3))(3) and (Et(4)N)CN in DMF, followed by recrystallization from DMF/MeOH, yields (Et(4)N)(5)[Mo(2)(CN)(11)] x 2DMF x 2MeOH (2). The dinuclear [Mo(2)(CN)(11)](5-) complex featured therein contains two octahedrally coordinated Mo(III) centers spanned by a bridging cyanide ligand. A fit to the magnetic susceptibility data for 2, gives J = -113 cm(-1) and g = 2.33, representing the strongest antiferromagnetic coupling yet observed through a cyanide bridge. Efforts to incorporate these new complexes in magnetic Prussian blue-type solids are ongoing.

Economical benefits for the use of slightly enriched fuel elements at the Atucha-I nuclear power plant

International Nuclear Information System (INIS)

Sidelnik, J.I.; Sosa, M.A.

1987-01-01

The fuel represents a very important factor in the operative cost of the Atucha I nuclear power plant. This cost is drastically reduced with the use of fuel elements of slightly enriched uranium. The annual saving is analyzed with actual values for fuel elements with an enrichment of 0.85% by weight of U-235. With the reactor core in equilibrium state the annual saving achieved is approximately 7.5-10 u$s. According to the present irradiation plan, the benefit for the transition period is studied. An analysis of the sensitivity to differential increments in factors determining the cost of fuel elements or to changes in manufacturing losses is also performed, calculating its effect on the waste, the storage of irradiated elements and the amount of UO 2 required. (Author)

ND online software development for data acquisition of replacement operations of fuel assemblies of Atucha I Nuclear power plant

International Nuclear Information System (INIS)

Calvo, Maria Dolores; Wentzeis, Luis

2012-01-01

The ND Online software was developed in order to acquire data on a real-time basis of the refueling operations at the Atucha I nuclear power plant. The fuel elements containing slightly enriched uranium dioxide are located in the nuclear reactor core inside the cooling channels. The refueling operations are made periodically while the reactor is operating at full power. The acquired signals during the refueling operations are: pressure, force and position of the fuel element. In order to improve the safety and availability of the installation, monitoring of the refueling operations is important for the early detection of anomalies related to the fuel element itself, the cooling channels or the refueling machine (author)

Temporary storage facility for spent nuclear fuels at the Atucha I nuclear power station (CNA)

International Nuclear Information System (INIS)

Wasinger, K.

1983-01-01

According to plans of the Argentine Atomic Energy Commission (CNEA), the spent nuclear fuel elements of the Atucha I Nuclear Power Station are to be stored temporarily pending a decision about the ultimate disposal concept. The holding capacity of the first fuel storage facility built by the German KWU together with the whole power plant had been expanded in 1978 to a level good until mid-1982. In 1977, KWU drafted the concept of another fuel storage facility. Like the first one, it was designed as a wet storage system attached to the power plant installations and had a holding capacity of 6944 fuel elements, which corresponds to some 1100 te of uranium. This extends the storage capacity up until 1996. In 1978, KWU was commissioned by CNEA to plan the whole facility and deliver the mechanical and electrical equipment. CNEA themselves assumed responsibility for the construction work. The second fuel storage facility was commissioned three years after the start of construction. (orig.) [de

Soft X-ray emission spectroscopy used for the characterization of a-C and CN{sub x} thin films

Energy Technology Data Exchange (ETDEWEB)

Nepijko, S.A., E-mail: nepijko@uni-mainz.de [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Chernenkaya, A. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Graduate School Materials Science in Mainz, Staudingerweg 9, 55128 Mainz (Germany); Medjanik, K.; Chernov, S.V. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Klimenkov, M. [Institute for Applied Materials, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Vlasenko, O.V. [Sumy State University, Rimsky-Korsakov str. 2, 40007 Sumy (Ukraine); Petrovskaya, S.S. [Frantsevich Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Krzhizhanovsky str. 3, 03142 Kiev (Ukraine); Odnodvorets, L.V. [Sumy State University, Rimsky-Korsakov str. 2, 40007 Sumy (Ukraine); Zaulichnyy, Ya.V. [National Technical University of Ukraine (KPI), Pobedy Av. 37, 03056 Kiev (Ukraine); Schönhense, G. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany)

2015-02-27

We present the results of a soft X-ray emission spectroscopy study of a-C and CN{sub x} films on a Si(100) substrate. Also for the characterization of the homogeneity in depth of these films electron energy loss spectroscopy measurements with localization better than 4 nm were carried out. In case of CN{sub x} films the highest diamond-like modification occurs in the region close to the Si(100) substrate. The film density decreases with increasing distance from the substrate and becomes almost constant in range of thicknesses more than ~ 2 nm. - Highlights: • CN{sub x} and a-C film densities decrease with the increase of thickness. • Density increases with the decrease of Si(100) substrate temperature at preparation. • Highest concentration of the diamond-like structure is in the substrate vicinity. • It reduces further from the substrate and stabilizes at thickness ≥ 2 nm.

Estimation of CN Parameter for Small Agricultural Watersheds Using Asymptotic Functions

Directory of Open Access Journals (Sweden)

Tomasz Kowalik

2015-03-01

Full Text Available This paper investigates a possibility of using asymptotic functions to determine the value of curve number (CN parameter as a function of rainfall in small agricultural watersheds. It also compares the actually calculated CN with its values provided in the Soil Conservation Service (SCS National Engineering Handbook Section 4: Hydrology (NEH-4 and Technical Release 20 (TR-20. The analysis showed that empirical CN values presented in the National Engineering Handbook tables differed from the actually observed values. Calculations revealed a strong correlation between the observed CN and precipitation (P. In three of the analyzed watersheds, a typical pattern of the observed CN stabilization during abundant precipitation was perceived. It was found that Model 2, based on a kinetics equation, most effectively described the P-CN relationship. In most cases, the observed CN in the investigated watersheds was similar to the empirical CN, corresponding to average moisture conditions set out by NEH-4. Model 2 also provided the greatest stability of CN at 90% sampled event rainfall.

Analysis of the main causes of failures in the Atucha I PWR moderator circuit branch piping

International Nuclear Information System (INIS)

Porto, J.; Sarmiento, G.S.

1983-01-01

From 1977 to 1979 four through cracks were detected in the auxiliary connection of the moderator piping with the coolant circuit in the PWR Atucha I Nuclear Plant. The failures were observed to occur systematically in the same place of the pipe, where mechanical stresses were detected experimentally and thermal stresses were calculated based on temperature values measured on the pipe. The temperature field in steady state conditions as well as during thermal shocks was modelled by finite element codes, and the corresponding thermal stresses were than numerically calculated. Considering those thermal and mechanical solicitations, a crack propagation analysis based on the elastoplastic fracture mechanics and the finite element method is now being developed. Among other causes such as fatigue corrosion and vibrations, the results of the analysis show that the most preponderant factors determining the cracking are mechanical stress, thermal stress and thermal fatigue

Irradiation program of slightly enriched fuel elements at the Atucha I nuclear power plant

International Nuclear Information System (INIS)

Casario, J.A.; Cesario, R.H.; Perez, R.A.; Sidelnik, J.I.

1987-01-01

An irradiation program of fuel elements with slightly enriched uranium is implemented, tending to the homogenization of core at Atucha I nuclear power plant. The main benefits of the enrichment program are: a) to extend the average discharge burnup of fuel elements, reducing the number of elements used to generate the same amount of energy. This implies a smaller annual consumption of elements and consequently the reduction of transport and replacement operations and of the storage pool systems as well as that of radioactive wastes; b) the saving of uranium and structural materials (Zircaloy and others). In the initial stage of program an homogeneous core enrichment of 0.85% by weight of U-235 is anticipated. The average discharge burnup of fuel elements, as estimated by previous studies, is approximately 11.6 MW d/kg U. The annual consumption of fuel elements is reduced from 396 of natural uranium to 205, with a load factor of 0.85. It is intended to reach the next equilibrium steps with an enrichment of 1.00 and 1.20% in U-235. (Author)

CN in the Sgr A* environment - first results

International Nuclear Information System (INIS)

Stankovic, M; Seaquist, E R; Muehle, S

2006-01-01

The radical CN, through the CN/HCN ratio, has proven to be an exceptionally good tool to study the photodissociation regions (PDRs) dominated by FUV radiation. Our region of interest, the circumnuclear disk (CND) surrounding Sgr A*, is exposed to the strong UV radiation field originating from the central stellar cluster. It contains potentially star forming cores recently elucidated by interferometric HCN observations with OVRO by Christopher et al. (2005). We present the results of preliminary observations of CN (N = 2-l) transitions with the IRAM 30-m telescope and report, for the first time, detection of CN emission in the GC region indicative of PDR, activity. This work motivates the further investigation of the role of PDRs in the clumpy medium of the Galactic center (GC) environment in global photodissociation and in promoting or inhibiting star formation in the CND

Effects of C/N controlled periphyton based organic farming of freshwater prawn on water quality parameters and biotic factors

Directory of Open Access Journals (Sweden)

Md. Rezoanul Haque

2014-08-01

Full Text Available The effects of C:N controlled periphyton based organic farming of freshwater prawn on water quality parameters and biotic factors were investigated. The experiment had two treatments: T1 and T2 each with three replications. Stocking density was maintained at 20,000 juveniles ha-1. In T1, only commercially available prawn feed was applied and in T2, a locally formulated and prepared feed containing 24% crude protein with C:N ratio close to 20 was used, and maize flour and bamboo side shoots were provided for maintaining C:N ratio 20.Mean values of water quality parameters did not vary significantly (P>0.05 between treatments. Periphytic biomass in terms of dry matter, ash free dry matter (AFDM and chlorophyll a showed significant difference (P<0.05 among different sampling months. Individual harvesting weight, individual weight gain, specific growth rates, gross and net yields of prawn were significantly higher (P<0.05 in T2 than T1. Therefore, it was concluded that freshwater prawn might consume periphyton biomass in C:N controlled periphyton based organic farming practices resulted a significantly (P<0.05 higher production of freshwater prawn than traditional farming.

Structural Properties and UV-Visible Absorption Spectroscopy of Retinal-pyridyl-CN Re(I) Carbonyl Bipyridine Complex: A Theoretical Study.

Science.gov (United States)

Eng, Julien; Daniel, Chantal

2015-10-29

The structural, electronic, and optical properties of the all-trans and five cis conformers of [Re(CO)3(bpy)(ret-pyr-CN)](+) (bpy = 2,2'-bipyridine; ret-pyr-CN = pyridyl-CN-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-n)-none-(2,4,6,8-tetraen) were studied in solvent by means of density functional theory (DFT) and time-dependent DFT. The isolated retinal-like chromophore ret-pyr-CN was investigated as well for comparison. By coordination to the complex the two lowest intraligand (IL) states localized on the retinal group are slightly red-shifted from 627 to 690 nm and from 415 to 450 nm, respectively. Several isomerization pathways are open upon irradiation of the Re(I) complex by visible light (400-450 nm), especially to two cis conformers corresponding to the isomerization of the two double bonds of the retinal-like ligand close to the pyridyl group linked to the Re(I) fragment. The metal-to-ligand charge transfer states localized either on the retinal group or on the bpy ligand should play a minor role in the isomerization process itself but could improve its efficiency via ultra-fast intersystem crossing.

Theoretical-experimental assessment of the variables affecting fretting of Atucha I nuclear power plant utility steam generators tubes

International Nuclear Information System (INIS)

Kulichevsky, Raul M.

1995-01-01

Fretting wear of Steam Generator tubes caused by flow induced vibrations generates uncertainty on their integrity. The knowledge of the controlling variables of the wear process may give a criterion to evaluate the tubes residual life. Information on vibratory response and dynamic interaction between tubes and their supports are prerequisites for understanding the relationship between fretting wear and tube vibration. Experimental results of the vibratory response of an Atucha-I nuclear power plant type U-tube, the influence of tube/support clearance on this response and a study of tube/support dynamic interaction, which allow the verification of a finite element model of this type of tubes, are presented in this work. Also wear results for the Incoloy 800/DIN 1.4550 austenitic stainless steel pair of materials and a first evaluation of the wear constant of this pair are presented. (author)

Ion beam analysis, corrosion resistance and nanomechanical properties of TiAlCN/CN{sub x} multilayer grown by reactive magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Alemón, B.; Flores, M. [Departamento de Ingeniería de Proyectos, CUCEI, Universidad de Guadalajara, J. Guadalupe Zuno 48, Los Belenes, Zapopan, Jal. 45101 (Mexico); Canto, C. [Instituto de Física, UNAM, Avenida de la Investigación S/N, Coyoacán, Mexico, DF 04510 (Mexico); Andrade, E., E-mail: andrade@fisica.unam.mx [Instituto de Física, UNAM, Avenida de la Investigación S/N, Coyoacán, Mexico, DF 04510 (Mexico); Lucio, O.G. de [Instituto de Física, UNAM, Avenida de la Investigación S/N, Coyoacán, Mexico, DF 04510 (Mexico); Rocha, M.F. [ESIME-Z, Instituto Politécnico Nacional, ALM Zacatenco, Mexico, DF 07738 (Mexico); Broitman, E. [Thin Films Physics Division, IFM, Linköping University, SE-58183 Linköping (Sweden)

2014-07-15

A novel TiAlCN/CN{sub x} multilayer coating, consisting of nine TiAlCN/CN{sub x} periods with a top layer 0.5 μm of CN{sub x}, was designed to enhance the corrosion resistance of CoCrMo biomedical alloy. The multilayers were deposited by dc and RF reactive magnetron sputtering from Ti{sub 0.5}Al{sub 0.5} and C targets respectively in a N{sub 2}/Ar plasma. The corrosion resistance and mechanical properties of the multilayer coatings were analyzed and compared to CoCrMo bulk alloy. Ion beam analysis (IBA) and X-ray diffraction tests were used to measure the element composition profiles and crystalline structure of the films. Corrosion resistance was evaluated by means of potentiodynamic polarization measurements using simulated body fluid (SBF) at typical body temperature and the nanomechanical properties of the multilayer evaluated by nanoindentation tests were analyzed and compared to CoCrMo bulk alloy. It was found that the multilayer hardness and the elastic recovery are higher than the substrate of CoCrMo. Furthermore the coated substrate shows a better general corrosion resistance than that of the CoCrMo alloy alone with no observation of pitting corrosion.

Phonon dispersion curves for CsCN

International Nuclear Information System (INIS)

Gaur, N.K.; Singh, Preeti; Rini, E.G.; Galgale, Jyostna; Singh, R.K.

2004-01-01

The motivation for the present work was gained from the recent publication on phonon dispersion curves (PDCs) of CsCN from the neutron scattering technique. We have applied the extended three-body force shell model (ETSM) by incorporating the effect of coupling between the translation modes and the orientation of cyanide molecules for the description of phonon dispersion curves of CsCN between the temperatures 195 and 295 K. Our results on PDCs in symmetric direction are in good agreement with the experimental data measured with inelastic neutron scattering technique. (author)

Ageing management program of wires for Atucha II Nuclear Power Plant

International Nuclear Information System (INIS)

Zorrilla, J.; Antonaccio, E.; Luraschi, C.; Simionato, E.; Nieto, H.

2012-01-01

Electrical cables constitute one of the most important components of NPP in terms o maintenance, safety and availability of the plant. Due to their large extension (thousands of kilometers) it is impossible to fully replace them and aging management becomes essential for long term operation of NPP. Since Atucha II is under construction there was a good opportunity to establish and implement a holistic cable aging management program from the beginning according to the state of the art in this field. The scope of this program involves safety related cables, including EQ cables and non EQ cables as well. Due to the diversity of the installed cables is impossible to address an aging management program of every single specimen. However it is possible to establish 'cables families' of similar aging behavior based on insulation and jacket material, manufacture, etc Several aging management strategies were set for the different 'cables families'. These strategies include cables deposit in plant, elaboration of procedures of visual and tactile inspection, NDE techniques, etc Currently the aging management program is being implemented covering topic such as: Cable screening and grouping. Review of EQ documentation and conventional qualification information referring to the installed cables. Establishment of base line of condition monitoring techniques. Calibration and set up of test parameters for NDE techniques. Aging mechanism characterization and determination of. Design construction and installation of cable deposit in plant (author)

Atucha I nuclear power plant: repair works in QK02W01 moderator system heat exchanger

International Nuclear Information System (INIS)

Olivieri, Luis E.; Zanni, Pablo A.

2000-01-01

Atucha I nuclear power plant moderator system operates with highly radioactive heavy water, a pressure of 115 Bar and temperatures of about 200 C degrees. In March 2000, an increasing leakage of heavy water to the conventional thermal circuit was detected, conducting the plant to a shut down. The development of a number of actions and measures were taken, in order to plug this leakage. The leakage was found in a heat exchanger, which is located in a place of difficult access, with a high radiological yield and which, according to design, it was not considered to be mechanically repaired. It is a U bend tubes heat exchanger, weighting about 20 tons, and with a heavy water flow of 800 tons/h on the primary circuit, and 950 tons/h of ordinary water on the secondary side. Foreseeing this event, it had been designed and constructed special equipment and procedures, by means of a contract, with the Company INVAP SA. Repair works were carried out within a period of eighty-six (86) days, from which, forty five days were used to repair the component itself. A considerable amount of time was used to prepare simulators and the training of personnel. Due to the high radiological yield and the strict care of radiological standards, it was necessary the participation of 300 persons, integrating a collective dose of 4,86 Sv-m. It was necessary the construction of platforms and auxiliary stairs so as to make the work place accessible, as well as lifting and movement devices for heavy components, since this area does not have such kind of facilities. Welding and cutting machines remote controlled as well as manipulators which operated in front of the exchanger tube sheet were used. The aim was the reduction of dose values as much as possible. Special shielding were developed and in some cases it was necessary the adoption of drastic measures such as the cutting of bolts or pipes. The failure was detected and the tube was plugged. Also were plugged those tubes with wall thickness

7 CFR Appendix C to Part 226 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

...). EC17SE91.009 (c) The CN label statement includes the following: (1) The product identification number... 7 Agriculture 4 2010-01-01 2010-01-01 false Child Nutrition (CN) Labeling Program C Appendix C to.... C Appendix C to Part 226—Child Nutrition (CN) Labeling Program 1. The Child Nutrition (CN) Labeling...

7 CFR Appendix C to Part 225 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

...). EC17SE91.006 (c) The CN label statement includes the following: (1) The product identification number... 7 Agriculture 4 2010-01-01 2010-01-01 false Child Nutrition (CN) Labeling Program C Appendix C to... Appendix C to Part 225—Child Nutrition (CN) Labeling Program 1. The Child Nutrition (CN) Labeling Program...

Assessment of theoretical and experimental results in the calculation of atmospheric dilution factors in the Atucha I nuclear power plant

International Nuclear Information System (INIS)

Quintana, E.E.; Tossi, M.H.; Telleria, D.M.

1990-01-01

Collective doses produced during the normal working of the Atucha I Nuclear Power Plant are calculated using annual atmospheric factors. This work studies the behaviour of the dilution factors in different periods of the year in order to fit the calculated dose model applying factors from seasonal, monthly or weekly periods. The Radiation Protection Group of the C.N.E.A. have carried out continuous environmental monitoring in the surroundings of the Atucha I Nuclear Power Plant. These studies include the measurement of air tritium concentration, radionuclide that is found principally as tritiated water vapour. This isotope, normally released by the nuclear power plant was used as a tracer to assess the atmospheric dilution factors. Factors were calculated by two methods: an experimental one, based on environmental measurements of the tritium concentration in the surroundings of the nuclear power plant and another one by applying a theoretical model based on information from the micrometeorological tower located in the mentioned place. To carry out the environmental monitoring, four monitoring stations in the surroundings of the power plant were chosen. Three of them are approximately one kilometer from the plant and the fourth is 7.5 km away, near the city of Lima. To condense and collect the atmospheric water vapour, an overcooling system was used. The measurement was performed by liquid scintillation counting, previous alkaline electrolytical enrichment of the samples. The theoretical model uses hourly values of direction and wind intensity, as well as the atmospheric dispersive properties. Values obtained during the period 1976 to 1988 allowed, applying statistical tests, to validate the theoretical model and to observe seasonal variation of the dilution factors throughout the same year and between different years. Finally, results and graphics are presented showing that the behaviour of the dilution factors in different periods of the year. It is recommended to

Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands.

Science.gov (United States)

Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Liu, Yun; Mu, Qiang

2017-07-17

To explore stable polynuclear magnetic superhalogens, we perform an unbiased structure search for polynuclear iron-based systems based on pseudohalogen ligand CN using the CALYPSO method in conjunction with density functional theory. The superhalogen properties, magnetic properties, and thermodynamic stabilities of neutral and anionic Fe 2 (CN) 5 and Fe 3 (CN) 7 clusters are investigated. The results show that both of the clusters have superhalogen properties due to their electron affinities (EAs) and that vertical detachment energies (VDEs) are significantly larger than those of the chlorine element and their ligand CN. The distribution of the extra electron analysis indicates that the extra electron is aggregated mainly into pseudohalogen ligand CN units in Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ cluster. These features contribute significantly to their high EA and VDE. Besides superhalogen properties, these two anionic clusters carry a large magnetic moment just like the Fe 2 F 5 ¯ cluster. Additionally, the thermodynamic stabilities are also discussed by calculating the energy required to fragment the cluster into various smaller stable clusters. It is found that Fe(CN) 2 is the most favorable fragmentation product for anionic Fe 2 (CN) 5 ¯ and Fe 3 (CN) 7 ¯ clusters, and both of the anions are less stable against ejection of Fe atoms than Fe(CN) n-x .

The effect of Ti(CN/TiNb(CN coating on erosion–corrosion resistance

Directory of Open Access Journals (Sweden)

William Aperador Chaparro

2012-05-01

Full Text Available The goal of this work was to study electrochemical behaviour in corrosion-erosion conditions for Ti(CN/TiNb(CN multilayer coatings having 1, 50, 100, 150 and 200 bilayer periods on AISI 4140 steel substrates by using a multi-target magnetron reactive sputtering device, with an r.f. source (13.56 MHz, two cylindrical magnetron cathodes and two stoichiometric TiC and Nb targets. The multi-layers were evaluated by comparing them to corrosion, erosion and erosion corrosion for a 30º impact angle in a solution of 0.5 M NaCl and silica, analysing the effect of impact angle and the number of bilayers on these coatings’ corrosion resistance. The electrochemical characterisation was performed using electrochemical impedance spectroscopy for analysing corrosion surface; surface morphology was characterised by using a high-resolution scanning electron microscope (SEM. The results showed a de-creased corrosion rate for multilayer systems tested at 30°.

Simulation program for the dynamic behaviour of the primary system and moderators's circuit of the Atucha I Nuclear Power Plant

International Nuclear Information System (INIS)

Castano, Jorge; Gvirtzman, H.A.

1981-01-01

A model of digital computation is presented to simulate the primary system of heat transportation, moderator system and the associated systems for adjustment, regulation and control in the PHWR reactor at the Atucha-1 nuclear power plant. The model discusses in a concentrated way the different components and allows the study of the dynamical behaviour of the power plant facing disturbances with respect to a state of stationary regime. General considerations and description of the model are made. The method is described showing flow sheets, graphs and developing basic formulas, simulating a primary system, moderator and secondary system of the steam generator and the main system of regulation. Also an analysis of the results is made, for the case of disturbances which reduce or increase the power of the reactor by 10%. (V.B.) [es

A theoretical study of spectroscopy and metastability of the CN2+ dication

Czech Academy of Sciences Publication Activity Database

Fišer, J.; Polák, Rudolf

2012-01-01

Roč. 392, č. 1 (2012), s. 55-62 ISSN 0301-0104 Institutional research plan: CEZ:AV0Z40400503 Keywords : CN * CN+ * CN2+ Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.957, year: 2012

Seismotectonic models and CN algorithm: The case of Italy

International Nuclear Information System (INIS)

Costa, G.; Orozova Stanishkova, I.; Panza, G.F.; Rotwain, I.M.

1995-07-01

The CN algorithm is here utilized both for the intermediate term earthquake prediction and to validate the seismotectonic model of the Italian territory. Using the results of the analysis, made through the CN algorithm and taking into account the seismotectonic model, three areas, one for Northern Italy, one for Central Italy and one for Southern Italy, are defined. Two transition areas, between the three main areas are delineated. The earthquakes which occurred in these two areas contribute to the precursor phenomena identified by the CN algorithm in each main area. (author). 26 refs, 6 figs, 2 tabs

Scaling analysis of [Fe(pyrazole){sub 4}]{sub 2}[Nb(CN){sub 8}] molecular magnet

Energy Technology Data Exchange (ETDEWEB)

Konieczny, P., E-mail: piotr.konieczny@ifj.edu.pl [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków (Poland); Pełka, R.; Zieliński, P.M. [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków (Poland); Pratt, F.L. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxfordshire OX11 0QX (United Kingdom); Pinkowicz, D.; Sieklucka, B. [Department of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow (Poland); Wasiutyński, T. [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków (Poland)

2013-10-15

The critical behaviour of the three dimensional (3D) molecular magnet {[Fe"I"I(pirazol)_4]_2[Nb"I"V(CN)_8]·4H_2O}{sub n} has been studied with the use of experimental techniques such as ac magnetometry and zero field μSR spectroscopy. The sample orders magnetically below T{sub c}=7.8 K. The measurements allowed to determine static exponents β, γ, and the dynamic exponent w. The resulting exponent values indicate that the studied system belongs to the universality class of the 3D Heisenberg model. - Highlights: • The critical behaviour of {[Fe"I"I(pirazol)_4]_2[Nb"I"V(CN)_8]∙4H_2O}{sub n} has been studied. • Critical exponents β, γ, and w were obtained from ac magnetometry and ZF µSR data. • All obtained values of critical exponents are close to the 3D Heisenberg model.

Raman study of vibrational dephasing in liquid CH3CN and CD3CN

International Nuclear Information System (INIS)

Schroeder, J.; Schiemann, V.H.; Sharko, P.T.; Jonas, J.

1977-01-01

The Raman line shapes of the ν 1 (a 1 ) C--H and C--D fundamentals in liquid acetonitrile and acetonitrile-d 3 have been measured as a function of pressure up to 4 kbar within the temperature interval 30--120 degreeC. Densities have also been determined. From the isotropic component of the vibrational Raman band shape the vibrational relaxation times have been obtained as a function of temperature and pressure (density). The experimental results can be summarized as follows: (i) as T increases at constant density rho, the vibrational relaxation rate (tau/sub vib/) -1 increases; (ii) at constant T as density is raised tau/sub vib/ -1 increases; (iii) at constant pressure the T increase produces higher tau/sub vib/ -1 , however, the change is more pronounced for the CD 3 CN liquid. Isotopic dilution studies of the CH 3 CN/CD 3 CN mixtures shows no significant effect on (tau/sub vib/ -1 ). The experimental data are interpreted in terms of the Kubo stochastic line shape theory and the dephasing model of Fischer and Laubereau. The results based on Kubo formalism indicate that dephasing is the dominant relaxation mechanism and that the modulation is fast. The isolated binary collision model proposed by Fischer and Laubereau for vibrational dephasing reproduces the essential features of the density and temperature dependence of the (tau/sub vib/) -1 and suggests that pure dephasing is the dominant broadening mechanism for the isotropic line shapes studied. In the calculation the elastic collision times were approximated by the Enskog relaxation times

Structure and bonding of ScCN and ScNC: Ground and low-lying states

International Nuclear Information System (INIS)

Kalemos, Apostolos; Metropoulos, Aristophanes; Mavridis, Aristides

2012-01-01

Graphical abstract: The experimentally unknown systems ScCN and ScNC have been studied through single reference CISD and CCSD(T) methods. A total of 20 = 10 (ScCN) + 10 (ScNC) states were examined. All states are quite ionic whereas ScNC(X ∼3 Δ) is stabler than ScCN(X ∼3 Δ) by ∼5 kcal/mol. Display Omitted Highlights: ► We have studied through ab initio methods the polytopic system Sc[CN]. ► A series of low lying states for both isomeric forms have been examined. ► Around equilibrium the system displays a pronounced Sc + [CN] − ionic character. - Abstract: We have studied the experimentally unknown Sc[CN] molecular system in both its isomeric forms, scandium cyanide (ScCN) and isocyanide (ScNC), through ab initio computations. We report energetics, geometries, harmonic frequencies, and dipole moments for the first 20 Sc[CN] states correlating diabatically to Sc + ( 3 D, 1 D, 3 F) + CN − (X 1 Σ + ). Both isomers have a pronounced ionic character around equilibrium due to the high electron affinity of the CN group and the low ionization energy of the Sc atom. According to our calculations the ScNC isomer (X ∼3 Δ) is stabler than the ScCN(X ∼3 Δ) by ∼5 kcal/mol.

Moderator behaviour and reactor internals integrity at Atucha I NPP

International Nuclear Information System (INIS)

Berra, S.; Guala, M.; Herzovich, P.; Chocron, M.; Lorenzo, A.; Raffo Calderon, Ma. C. del; Urrutia, G.

1996-01-01

Atucha I is a Pressure Vessel Heavy Water Cooled Heavy Water Moderator Reactor. In this kind of reactor the moderator tank is physically connected to the primary coolant. Since neutron economy requires the moderator to be as cold as possible, it is necessary that even when physically connected, it should have a separated cooling system, which in this case is also used as a feed-water preheater, and also heat mass transfer with primary coolant should be minimized. This condition requires that some reactor internals are designed in principle to last the whole life of the plant. However, in 1988 the failure of one internal produced a 16 month shut down. This incident could have been prevented but the idea that reactor internals would not have failures due to aging was dominant at that time avoiding the early detection of the failure. However, the analysis of the records after the incident showed that some process variables had changed previously to the incident, i.e., power exchanged at the moderator heat exchanger had increased. Since the station restart up some changes in the moderator process variables and a flow rate reduction of about 10% through the primary side of one moderator cooler were observed. In order to understand the flow reduction and the overall behaviour of moderators parameters, two models were developed that predict moderator and moderator cooler behavior under the new conditions. The present paper refers to these models, which together with the improvement of process variables measurements mentioned in another paper presented at this meeting permits to understand current moderator behaviour and helps to early diagnostic of an eventual reactor internal failure. (author). 2 refs, 4 figs, 1 tab

Moderator behaviour and reactor internals integrity at Atucha I NPP

Energy Technology Data Exchange (ETDEWEB)

Berra, S; Guala, M; Herzovich, P [Central Nuclear Atucha I, Nucleoelectrica Argentina, Lima, Buenos Aires (Argentina); Chocron, M; Lorenzo, A; Raffo Calderon, Ma. C. del; Urrutia, G [Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Centro Atomico Constituyentes

1997-12-31

Atucha I is a Pressure Vessel Heavy Water Cooled Heavy Water Moderator Reactor. In this kind of reactor the moderator tank is physically connected to the primary coolant. Since neutron economy requires the moderator to be as cold as possible, it is necessary that even when physically connected, it should have a separated cooling system, which in this case is also used as a feed-water preheater, and also heat mass transfer with primary coolant should be minimized. This condition requires that some reactor internals are designed in principle to last the whole life of the plant. However, in 1988 the failure of one internal produced a 16 month shut down. This incident could have been prevented but the idea that reactor internals would not have failures due to aging was dominant at that time avoiding the early detection of the failure. However, the analysis of the records after the incident showed that some process variables had changed previously to the incident, i.e., power exchanged at the moderator heat exchanger had increased. Since the station restart up some changes in the moderator process variables and a flow rate reduction of about 10% through the primary side of one moderator cooler were observed. In order to understand the flow reduction and the overall behaviour of moderators parameters, two models were developed that predict moderator and moderator cooler behavior under the new conditions. The present paper refers to these models, which together with the improvement of process variables measurements mentioned in another paper presented at this meeting permits to understand current moderator behaviour and helps to early diagnostic of an eventual reactor internal failure. (author). 2 refs, 4 figs, 1 tab.

Sorption Mechanisms of Cesium on Cu II2Fe II(CN) 6and Cu II3[Fe III(CN) 6] 2Hexacyanoferrates and Their Relation to the Crystalline Structure

Science.gov (United States)

Ayrault, S.; Jimenez, B.; Garnier, E.; Fedoroff, M.; Jones, D. J.; Loos-Neskovic, C.

1998-12-01

CuII2FeII(CN)6·xH2O and CuII3[FeIII(CN)6]2·xH2O can be prepared with reproducible chemical compositions and structures after careful washing. They have cubicFmoverline3mstructures with iron vacancies. In CuII2FeII(CN)6, copper occupies two different sites: Cu1 in position 4blinked to Fe through the CN groups, and Cu2 not linked to the CN groups and partially occupying the interstitial 24epositions. The second type of site is not present in CuII3[FeIII(CN)6]2. Sorption kinetics and isotherms were determined for cesium on both hexacyanoferrates by batch experiments. On CuII3[FeIII(CN)6]2, the maximum uptake is only 0.073 Cs/Fe (at./at.). On CuII2FeII(CN)6, the uptake reaches 1.5 Cs/Fe. The sorption kinetics include at least two steps: at1/2variation until approximately 72 h and then a slow evolution studied up to 6 months. The sorption mechanism is complex. The main process seems to be diffusion of ion pairs, followed by a reorganization of the solid, resulting in one or more new solid phases. The presence of the Cu2 site seems to play a favorable role in the sorption. Owing to its good midterm stability and the first rapid step of exchange, CuII2FeII(CN)6·xH2O seems to be one of the most promising compounds for the recovery of cesium from nuclear liquid wastes.

Polarization due to dust scattering in the planetary nebula Cn1-1

International Nuclear Information System (INIS)

Bhatt, H.C.

1989-01-01

The peculiar emission-line object Cn1-1 (=HDE330036=PK330+4 degrees 1), classified both as a symbiotic star and as a planetary nebula, was detected by the Infrared Astronomical Satellite (IRAS) as a strong source of far-infrared dust in the system. Bhatt and Mallik (1986) discussed the nature of the dust in Cn1-1 and argued that the object is a Type I protoplanetary nebula in a binary system. The argument presented here is that the polarization is intrinsic to Cn1-1 and is due to scattering by large (compared to interstellar) dust grains in the protoplanetary nebula that are asymmetrically distributed around the central star. The large degree of polarization (approximately 3 percent for the Cn1-1 distance of approximately 450 pc) with a large lambda(sub max) is naturally explained if it is caused by scattering by large dust grains in the Cn1-1 nebula. Since the H(sub alpha) line is also polarized at the same level and position angle as the continuum, the dust must be asymmetrically distributed around the central star. The morphology of the protoplanetary nebula in Cn1-1 may be bipolar. Thus, the polarization observations support the suggestion that Cn1-1 is a bipolar Type I planetary nebula

New approach to neurorehabilitation: cranial nerve noninvasive neuromodulation (CN-NINM) technology

Science.gov (United States)

Danilov, Yuri P.; Tyler, Mitchel E.; Kaczmarek, Kurt A.; Skinner, Kimberley L.

2014-06-01

Cranial Nerve NonInvasive NeuroModulation (CN-NINM) is a primary and complementary multi-targeted rehabilitation therapy that appears to initiate the recovery of multiple damaged or suppressed brain functions affected by neurological disorders. It is deployable as a simple, home-based device (portable neuromodulation stimulator, or PoNSTM) and training regimen following initial patient training in an outpatient clinic. It may be easily combined with many existing rehabilitation therapies, and may reduce or eliminate the need for more aggressive invasive procedures or possibly decrease total medication intake. CN-NINM uses sequenced patterns of electrical stimulation on the tongue. Our hypothesis is that CN-NINM induces neuroplasticity by noninvasive stimulation of two major cranial nerves: trigeminal (CN-V), and facial (CN-VII). This stimulation excites a natural flow of neural impulses to the brainstem (pons varolli and medulla), and cerebellum, to effect changes in the function of these targeted brain structures, extending to corresponding nuclei of the brainstem. CN-NINM represents a synthesis of a new noninvasive brain stimulation technique with applications in physical medicine, cognitive, and affective neurosciences. Our new stimulation method appears promising for treatment of a full spectrum of movement disorders, and for both attention and memory dysfunction associated with traumatic brain injury.

Estimation of CN Parameter for Small Agricultural Watersheds Using Asymptotic Functions

OpenAIRE

Tomasz Kowalik; Andrzej Walega

2015-01-01

This paper investigates a possibility of using asymptotic functions to determine the value of curve number (CN) parameter as a function of rainfall in small agricultural watersheds. It also compares the actually calculated CN with its values provided in the Soil Conservation Service (SCS) National Engineering Handbook Section 4: Hydrology (NEH-4) and Technical Release 20 (TR-20). The analysis showed that empirical CN values presented in the National Engineering Handbook tables differed from t...

Thermoelastic analysis for the fuel claddings of the nuclear power reactor at Atucha in the skid's region

International Nuclear Information System (INIS)

Sanchez Sarmiento, Gustavo; Basombrio, F.G.

1979-01-01

For the fuel elements of the Nuclear Power Reactor at Atucha, a two-dimensional thermoelastic analysis has been made in the region of the skids of the fuel cladding, when the gap between them and the fuel rod separator's support becomes zero. In such a case the latter forces exert on the skids an elastic reaction opposite to the cladding's expansion. The internal pressure reaching the yield stress for the cladding material has been calculated, as a function of the initial gap; for several possible fuel rod locations within the separator; for the actual dimensions and also for reduced thickness of the cladding; with a given external pressure and, with a known temperature spatial distribution. The latter has been calculated by solving the heat conduction equation along the fuel element for a certain power level in the reactor. The calculations are made with two FORTRAN IV computer codes developed at C.A.B., using the finite-element method: the NOLICUARM, to solve the nonlinear quasi-harmonic equation, and the ELASTEF 3, for the solution of thermoelastic problems with plane symmetry. (author) [es

7 CFR Appendix C to Part 220 - Child Nutrition (CN) Labeling Program

Science.gov (United States)

2010-01-01

... product label that contains a CN label statement and CN logo as defined in paragraph 3 (b) and (c) below... statement” as defined in paragraph 3(c). EC17SE91.003 (c) The “CN label statement” includes the following... alternate product toward the meat/meat alternate, bread/bread alternate, and/or vegetable/fruit component of...

InterProScan Result: CN211485 [KAIKOcDNA[Archive

Lifescience Database Archive (English)

Full Text Available CN211485 CN211485_2_ORF1 AA5126E0BA1C15EC PRINTS PR00385 P450 3.6e-08 T IPR001128 Cytochrome P450 Molecular... Function: monooxygenase activity (GO:0004497)|Molecular Function: iron ion binding (GO:0005506)|Molecular... Function: electron carrier activity (GO:0009055)|Molecular Function: heme binding (GO:0020037) ...

A Novel Cyanide-Bridged Thulium-Nickel Heterobimetallic Polymeric Complex (H2O)2(DMF)10Tm2[Ni(CN)4]2[Ni(CN)4] including O-H···N Hydrogen Bond

International Nuclear Information System (INIS)

Chung, Janghoon; Park, Daeyoung; Song, Mina; Ha, Sungin; Kang, Ansoo; Moon, Sangbong; Ryu, Cheolhwi

2012-01-01

The experimental section lists the observed infrared absorption frequencies for the complex. Typically bridging CN ligands have higher stretching frequencies than the terminal CN ligands. Accordingly, cyanide stretching bands (2170, 2156, 2139 cm -1 . at higher frequencies than the stretching band (2127 cm -1 ) of K 2 [Ni(CN) 4 ] are assigned to bridging cyanide ligands. The band at 2128 cm -1 is assigned to terminal cyanide ligands because their location in the cyanide stretching region compares with the absorption observed for the nonbridging cyanide ligands in K 2 [Ni(CN) 4 ]. Array (H 2 O) 2 (DMF) 10 Tm 2 [Ni(CN) 4 ] 2 [Ni(CN) 4 ] and other lanthanide metal-Ni systems display similar CN stretching patterns in their spectra. A broad absorption band at 2950-3550 cm -1 was observed in the spectrum. This supports the presence of O-H···N intermolecular hydrogen bond interactions between the polymers

First detection of cyanamide (NH2CN) towards solar-type protostars

Science.gov (United States)

Coutens, A.; Willis, E. R.; Garrod, R. T.; Müller, H. S. P.; Bourke, T. L.; Calcutt, H.; Drozdovskaya, M. N.; Jørgensen, J. K.; Ligterink, N. F. W.; Persson, M. V.; Stéphan, G.; van der Wiel, M. H. D.; van Dishoeck, E. F.; Wampfler, S. F.

2018-05-01

Searches for the prebiotically relevant cyanamide (NH2CN) towards solar-type protostars have not been reported in the literature. We present here the first detection of this species in the warm gas surrounding two solar-type protostars, using data from the Atacama Large Millimeter/Submillimeter Array Protostellar Interferometric Line Survey (PILS) of IRAS 16293-2422 B and observations from the IRAM Plateau de Bure Interferometer of NGC 1333 IRAS2A. We also detected the deuterated and 13C isotopologs of NH2CN towards IRAS 16293-2422 B. This is the first detection of NHDCN in the interstellar medium. Based on a local thermodynamic equilibrium analysis, we find that the deuteration of cyanamide ( 1.7%) is similar to that of formamide (NH2CHO), which may suggest that these two molecules share NH2 as a common precursor. The NH2CN/NH2CHO abundance ratio is about 0.2 for IRAS 16293-2422 B and 0.02 for IRAS2A, which is comparable to the range of values found for Sgr B2. We explored the possible formation of NH2CN on grains through the NH2 + CN reaction using the chemical model MAGICKAL. Grain-surface chemistry appears capable of reproducing the gas-phase abundance of NH2CN with the correct choice of physical parameters.

Experimental and numerical determination of the dynamic properties of the reactor building of Atucha II NPP

International Nuclear Information System (INIS)

Ceballos, M.A.; Car, E.J.; Prato, T.A.; Prato, C.A.; Alvarez, L.M.; Godoy, A.R.

1995-01-01

Determination of the dynamic properties of the reactor building of Atucha II NPP is carried out in order to: i) Obtain valuable information for seismic qualification of the plant, and ii) Assess some procedures for testing and analysis that are used in the process of seismic evaluation of existing nuclear facilities founded on Quaternary soil deposits. Both steady state and impulsive dynamic tests were performed but attention is centered here in tile techniques used to determine natural frequencies and modal damping ratios with impulsive tests. Numerical analyses were performed by means of a 3-D model model of the superstructure together with foundation stiffness coefficients derived in a separate paper from steady state vibration tests, and also from analysis with a 2-D F.E. model of the soil layers capable of approximating the 3-D features of the problem. The computed foundation stiffness coefficients are compared both with those obtained from the tests and from an axisymmetric F.E. model; results indicate that foundation stiffness coefficients calculated with F.E. models with soil parameters given by laboratory tests performed on cored samples are significantly lower than those given by the steady state vibration tests. (author)

Study on re-sputtering during CN{sub x} film deposition through spectroscopic diagnostics of plasma

Energy Technology Data Exchange (ETDEWEB)

Liang, Peipei; Yang, Xu; Li, Hui; Cai, Hua [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Sun, Jian; Xu, Ning [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shanghai Engineering Research Center of Ultra-Precision Optical Manufacturing, Fudan University, Shanghai 200433 (China); Wu, Jiada, E-mail: jdwu@fudan.edu.cn [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shanghai Engineering Research Center of Ultra-Precision Optical Manufacturing, Fudan University, Shanghai 200433 (China); Engineering Research Center of Advanced Lighting Technology, Ministry of Education, Fudan University, Shanghai 200433 (China)

2015-10-15

A nitrogen-carbon plasma was generated during the deposition of carbon nitride (CN{sub x}) thin films by pulsed laser ablation of a graphite target in a discharge nitrogen plasma, and the optical emission of the generated nitrogen-carbon plasma was measured for the diagnostics of the plasma and the characterization of the process of CN{sub x} film deposition. The nitrogen-carbon plasma was recognized to contain various species including nitrogen molecules and molecular ions excited in the ambient N{sub 2} gas, carbon atoms and atomic ions ablated from the graphite target and CN radicals. The temporal evolution and spatial distribution of the CN emission and their dependence on the substrate bias voltage show two groups of CN radicals flying in opposite directions. One represents the CN radicals formed as the products of the reactions occurring in the nitrogen-carbon plasma, revealing the reactive deposition of CN{sub x} film due to the reactive expansion of the ablation carbon plasma in the discharge nitrogen plasma and the effective formation of gaseous CN radicals as precursors for CN{sub x} film growth. The other one represents the CN radicals re-sputtered from the growing CN{sub x} film by energetic plasma species, evidencing the re-sputtering of the growing film accompanying film growth. And, the re-sputtering presents ion-induced sputtering features.

SCS-CN based time-distributed sediment yield model

Science.gov (United States)

Tyagi, J. V.; Mishra, S. K.; Singh, Ranvir; Singh, V. P.

2008-05-01

SummaryA sediment yield model is developed to estimate the temporal rates of sediment yield from rainfall events on natural watersheds. The model utilizes the SCS-CN based infiltration model for computation of rainfall-excess rate, and the SCS-CN-inspired proportionality concept for computation of sediment-excess. For computation of sedimentographs, the sediment-excess is routed to the watershed outlet using a single linear reservoir technique. Analytical development of the model shows the ratio of the potential maximum erosion (A) to the potential maximum retention (S) of the SCS-CN method is constant for a watershed. The model is calibrated and validated on a number of events using the data of seven watersheds from India and the USA. Representative values of the A/S ratio computed for the watersheds from calibration are used for the validation of the model. The encouraging results of the proposed simple four parameter model exhibit its potential in field application.

Pressure-induced polymerization of P(CN){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gou, Huiyang, E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu; Kim, Duck Young; Strobel, Timothy A., E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu [Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, NW, Washington, DC 20015 (United States); Yonke, Brendan L. [NRC Postdoctoral Associate, Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Epshteyn, Albert [Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Smith, Jesse S. [High Pressure Collaborative Access Team, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439 (United States)

2015-05-21

Motivated to explore the formation of novel extended carbon-nitrogen solids via well-defined molecular precursor pathways, we studied the chemical reactivity of highly pure phosphorous tricyanide, P(CN){sub 3}, under conditions of high pressure at room temperature. Raman and infrared (IR) spectroscopic measurements reveal a series of phase transformations below 10 GPa, and several low-frequency vibrational modes are reported for the first time. Synchrotron powder X-ray diffraction measurements taken during compression show that molecular P(CN){sub 3} is highly compressible, with a bulk modulus of 10.0 ± 0.3 GPa, and polymerizes into an amorphous solid above ∼10.0 GPa. Raman and IR spectra, together with first-principles molecular-dynamics simulations, show that the amorphization transition is associated with polymerization of the cyanide groups into CN bonds with predominantly sp{sup 2} character, similar to known carbon nitrides, resulting in a novel phosphorous carbon nitride (PCN) polymeric phase, which is recoverable to ambient pressure.

Hydrogeological modelling of the eastern region of Areco river locally detailed on Atucha I and II nuclear power plants area

International Nuclear Information System (INIS)

Grattone, Natalia I.; Fuentes, Nestor O.

2009-01-01

Water flow behaviour of Pampeano aquifer was modeled using Visual Mod-flow software Package 2.8.1 with the assumption of a free aquifer, within the region of the Areco river and extending to the rivers of 'Canada Honda' and 'de la Cruz'. Steady state regime was simulated and grid refinement allows obtaining locally detailed calculation in the area of Atucha I and II Nuclear power plants, in order to compute unsteady situations as the consequence of water flow variations from and to the aquifer, enabling the model to study the movement of possible contaminant particles in the hydrogeologic system. In this work the effects of rivers action, the recharge conditions and the flow lines are analyzed, taking always into account the range of reliability of obtained results, considering the incidence of uncertainties introduced by data input system, the estimates and interpolation of parameters used. (author)

THE SPATIAL DISTRIBUTION OF OH AND CN RADICALS IN THE COMA OF COMET ENCKE

International Nuclear Information System (INIS)

Ihalawela, Chandrasiri A.; Pierce, Donna M.; Dorman, Garrett R.; Cochran, Anita L.

2011-01-01

Multiple potential parent species have been proposed to explain CN abundances in comet comae, but the parent has not been definitively identified for all comets. This study examines the spatial distribution of CN radicals in the coma of comet Encke and determines the likelihood that CN is a photodissociative daughter of HCN in the coma. Comet Encke is the shortest orbital period (3.3 years) comet known and also has a low dust-to-gas ratio based on optical observations. Observations of CN were obtained from 2003 October 22 to 24, using the 2.7 m telescope at McDonald Observatory. To determine the parent of CN, the classical vectorial model was modified by using a cone shape in order to reproduce Encke's highly aspherical and asymmetric coma. To test the robustness of the modified model, the spatial distribution of OH was also modeled. This also allowed us to obtain CN/OH ratios in the coma. Overall, we find the CN/OH ratio to be 0.009 ± 0.004. The results are consistent with HCN being the photodissociative parent of CN, but we cannot completely rule out other possible parents such as CH 3 CN and HC 3 N. We also found that the fan-like feature spans ∼90°, consistent with the results of Woodney et al..

CN rings in full protoplanetary disks around young stars as probes of disk structure

Science.gov (United States)

Cazzoletti, P.; van Dishoeck, E. F.; Visser, R.; Facchini, S.; Bruderer, S.

2018-01-01

Aims: Bright ring-like structure emission of the CN molecule has been observed in protoplanetary disks. We investigate whether such structures are due to the morphology of the disk itself or if they are instead an intrinsic feature of CN emission. With the intention of using CN as a diagnostic, we also address to which physical and chemical parameters CN is most sensitive. Methods: A set of disk models were run for different stellar spectra, masses, and physical structures via the 2D thermochemical code DALI. An updated chemical network that accounts for the most relevant CN reactions was adopted. Results: Ring-shaped emission is found to be a common feature of all adopted models; the highest abundance is found in the upper outer regions of the disk, and the column density peaks at 30-100 AU for T Tauri stars with standard accretion rates. Higher mass disks generally show brighter CN. Higher UV fields, such as those appropriate for T Tauri stars with high accretion rates or for Herbig Ae stars or for higher disk flaring, generally result in brighter and larger rings. These trends are due to the main formation paths of CN, which all start with vibrationally excited H_2^* molecules, that are produced through far ultraviolet (FUV) pumping of H2. The model results compare well with observed disk-integrated CN fluxes and the observed location of the CN ring for the TW Hya disk. Conclusions: CN rings are produced naturally in protoplanetary disks and do not require a specific underlying disk structure such as a dust cavity or gap. The strong link between FUV flux and CN emission can provide critical information regarding the vertical structure of the disk and the distribution of dust grains which affects the UV penetration, and could help to break some degeneracies in the SED fitting. In contrast with C2H or c-C3H2, the CN flux is not very sensitive to carbon and oxygen depletion.

Regional Calibration of SCS-CN L-THIA Model: Application for Ungauged Basins

OpenAIRE

Jeon, Ji-Hong; Lim, Kyoung; Engel, Bernard

2014-01-01

Estimating surface runoff for ungauged watershed is an important issue. The Soil Conservation Service Curve Number (SCS-CN) method developed from long-term experimental data is widely used to estimate surface runoff from gaged or ungauged watersheds. Many modelers have used the documented SCS-CN parameters without calibration, sometimes resulting in significant errors in estimating surface runoff. Several methods for regionalization of SCS-CN parameters were evaluated. The regionalization met...

CN and HCN in the infrared spectrum of IRC + 10216

Science.gov (United States)

Wiedemann, G. R.; Deming, D.; Jennings, D. E.; Hinkle, Kenneth H.; Keady, John J.

1991-01-01

The abundance of HCN in the inner circumstellar shell of IRC + 10216 has been remeasured using the 12-micron nu2 band. The 12-micron lines are less saturated than HCN 3-micron lines previously detected in the spectrum of IRC + 10216. The observed 12-micron HCN line is formed in the circumstellar shell from about 4 to 12 R sub * in accord with a photospheric origin for HCN. The derived HCN abundance in the 4 to 12 R sub* region is 4 x 10 exp-5 and the column density is 7 x 10 exp 18/sq cm. The 5-micron CN vibration-rotation fundamental band was detected for the first time in an astronomical source. Using four CN lines, the CN column density was determined to be 2.6 x 10 exp 15/sq cm and the rotational temperature to be 8 +/-2 K. The peal radial abundance is 1 x 10 exp -5. The values for the temperature and abundance are in good agreement with microwave results and with the formation of CN from the photolysis of HCN.

Structure of MoCN films deposited by cathodic arc evaporation

Energy Technology Data Exchange (ETDEWEB)

Gilewicz, A., E-mail: adam.gilewicz@tu.koszalin.pl [Koszalin University of Technology, Faculty of Technology and Education, Sniadeckich 2, 75-453 Koszalin (Poland); Jedrzejewski, R.; Kochmanska, A.E. [West Pomeranian University of Technology Szczecin, Faculty of Mechanical Engineering and Mechatronics, 19 Piastów Ave., 70-313 Szczecin (Poland); Warcholinski, B. [Koszalin University of Technology, Faculty of Technology and Education, Sniadeckich 2, 75-453 Koszalin (Poland)

2015-02-27

Molybdenum carbonitride (MoCN) coatings were deposited onto HS6-5-2 steel substrate using pure Mo targets in mixed acetylene and nitrogen atmosphere by cathodic arc evaporation. The structural properties of MoCN coatings with different carbon contents (as an effect of the C{sub 2}H{sub 2} flow rate) were investigated systematically. Phase and chemical composition evolution of the coatings were characterized both by the glancing angle of X-ray diffraction (XRD) and wavelength dispersive spectrometry, respectively. These analyses have been supplemented by estimates of grain sizes and stress in the coatings. The XRD results show that the increase in acetylene flow rate causes the formation of molybdenum carbide (MoC) hexagonal phase in the coatings, a reduction of grain size and an increase in internal stress. - Highlights: • MoN and MoCN coatings were deposited by cathodic arc evaporation in nitrogen atmosphere. • MoCN coatings were formed using different acetylene flow rates. • Phase composition evolution was observed. • Crystallite size and stress were calculated.

Dissociation mechanisms and dynamics of doubly charged CD3CN observed by PEPIPICO spectroscopy

International Nuclear Information System (INIS)

Harada, C.; Tada, S.; Yamamoto, K.; Senba, Y.; Yoshida, H.; Hiraya, A.; Wada, S.; Tanaka, K.; Tabayashi, K.

2006-01-01

Dissociation of free acetonitrile-d 3 molecule, CD 3 CN induced by core level excitation was studied near the nitrogen K-edge by time-of-flight fragment mass spectroscopy. A variety of atomic and molecular fragment cations such as D + , CD n + , C 2 D n + , and CD n CN + were detected using the effusive CD 3 CN beam. Photoelectron-photoion-photoion coincidence technique was applied to analyse the dissociation mechanisms and dynamics of doubly charged CD 3 CN 2+ following the N(1s-π * ) excitation. The charge separation mechanisms of core-excited CD 3 CN were discussed in connection with Auger final state distributions

ESR studies of electron irradiated K3Ir(CN)6 in KCl single crystals

International Nuclear Information System (INIS)

Vugman, N.V.; Pinhal, N.M.

1983-01-01

ESR studies of KCl single crystals doped with small amounts of K 3 Ir(CN) 6 and submitted to a prolongued 2 MeV electron irradiation at room temperature reveal the presence of the [IR(CN) 5 Cl] 4- and [Ir(CN) 4 Cl 2 ] 4- new molecular species. Ligand spin densities and ligand field parameters are calculated from the experimental hyperfine and superhyperfine interactions and compared to previous data on the [Ir(CN) 5 ] 4- species. (Author) [pt

Tree species is the major factor explaining C:N ratios in European forest soils

DEFF Research Database (Denmark)

Cools, Nathalie; Vesterdal, Lars; De Vos, Bruno

2014-01-01

The C:N ratio is considered as an indicator of nitrate leaching in response to high atmospheric nitrogen (N) deposition. However, the C:N ratio is influenced by a multitude of other site-related factors. This study aimed to unravel the factors determining C:N ratios of forest floor, mineral soil...... mineral soil layers it was the humus type. Deposition and climatic variables were of minor importance at the European scale. Further analysis for eight main forest tree species individually, showed that the influence of environmental variables on C:N ratios was tree species dependent. For Aleppo pine...... and peat top soils in more than 4000 plots of the ICP Forests large-scale monitoring network. The first objective was to quantify forest floor, mineral and peat soil C:N ratios across European forests. Secondly we determined the main factors explaining this C:N ratio using a boosted regression tree...

CN molecule vibrational spectra excitation in several LTE plasma sources conditions

International Nuclear Information System (INIS)

Iova, I.; Iova, Floriana; Ionita, I.; Bazavan, M.; Ilie, Gh.; Stanescu, G.

2001-01-01

Our interest in CN plasma study steams of the facilities to obtain the CN radicals in a free atmosphere electric discharge where the C of the coal electrodes can to combine in the enough high temperature plasma with the atmospheric nitrogen. Also of much interest is the very important phenomena in which the CN vibrational spectra can be implied and used as a diagnostic tool (plasma chemistry, astrophysics and so on). A peculiar importance presents the CN vibrational spectra in the transient plasmas. It is the reason why we have investigated here some internal processes of a continued and interrupted arc of various pulse lengths. To these purposes we present with enough accuracy the behaviour of the relative band head intensities of the sequences Δ v = +1 and Δ v = 0 belonging to the CN electronic transition (B 2 Σ - X 2 Σ), as a function of the pulse length (50 - 200 ms) as well as a function of the cathode to anode separation. These behaviours give us indications on the vibrational levels of the electronic state populations in several regions of the arc plasma as well on the efficiency of these levels excitation for several plasma pulse lengths. (authors)

Nanostructure transition in Cr–C–N coatings deposited by pulsed closed field unbalanced magnetron sputtering

International Nuclear Information System (INIS)

Wu, Z.L.; Lin, J.; Moore, J.J.; Lei, M.K.

2012-01-01

Cr–C–N coatings with different compositions, i.e. (C + N)/Cr atomic ratios (x) of 0.81–2.77, were deposited using pulsed closed field unbalanced magnetron sputtering by varying the chromium and graphite target powers, the pulse configuration and the ratio of the nitrogen flow rate to the total gas flow rate. Three kinds of nanostructures were identified in the Cr–C–N coatings dependent on the x values: a nano-columnar structure of hexagonal closed-packed (hcp) Cr 2 (C,N) and face-centered cubic (fcc) Cr(C,N) at x = 0.81 and 1.03 respectively, a nanocomposite structure consisting of nanocrystalline Cr(C,N) embedded in an amorphous C(N) matrix at x = 1.26 and 1.78, and a Cr-containing amorphous C(N) structure at x = 2.77. A maximum hardness of 31.0 GPa and a high H/E ratio of 1.0 have been achieved in the nc-Cr(C,N)/a-C(N) nanocomposite structure at x = 1.26, whereas the coating with a Cr-containing amorphous C(N) structure had a minimum hardness of 10.9 GPa and a low H/E ratio of 0.08 at x = 2.77. The incorporation of carbon into the Cr–N coatings led to a phase transition from hcp-Cr 2 (C,N) to fcc-Cr(C,N) by the dissolution into the nanocrystallites, and promoted the amorphization of Cr–C–N coatings with the precipitation of amorphous C(N). It was found that a high x value over 1.0 in the Cr–C–N coatings is the composition threshold to the nanostructure transition. - Highlights: ► Nanostructure transition of Cr–C–N coatings depended on (C + N)/Cr atomic ratio. ► A nano-columnar structure formed at atomic ratio less than 1.0. ► A nc-Cr(C,N)/a-C(N) nanocomposite structure formed at atomic ratio of 1.0–2.7. ► A Cr-containing amorphous C(N) structure formed at atomic ratio more than 2.7. ► Maximum hardness of 31.0 GPa was for nanocomposite coatings at atomic ratio of 1.26.

Anomalous thermal expansion, negative linear compressibility, and high-pressure phase transition in ZnAu2(CN) 4 : Neutron inelastic scattering and lattice dynamics studies

Science.gov (United States)

Gupta, Mayanak K.; Singh, Baltej; Mittal, Ranjan; Zbiri, Mohamed; Cairns, Andrew B.; Goodwin, Andrew L.; Schober, Helmut; Chaplot, Samrath L.

2017-12-01

We present temperature-dependent inelastic-neutron-scattering measurements, accompanied by ab initio calculations of the phonon spectra and elastic properties as a function of pressure to quantitatively explain an unusual combination of negative thermal expansion and negative linear compressibility behavior of ZnAu2(CN) 4 . The mechanism of the negative thermal expansion is identified in terms of specific anharmonic phonon modes that involve bending of the -Zn-NC-Au-CN-Zn- linkage. The soft phonon at the L point at the Brillouin zone boundary quantitatively relates to the high-pressure phase transition at about 2 GPa. The ambient pressure structure is also found to be close to an elastic instability that leads to a weakly first-order transition.

A Procedure to Address the Fuel Rod Failures during LB-LOCA Transient in Atucha-2 NPP

Directory of Open Access Journals (Sweden)

Martina Adorni

2011-01-01

Full Text Available Depending on the specific event scenario and on the purpose of the analysis, the availability of calculation methods that are not implemented in the standard system thermal hydraulic codes might be required. This may imply the use of a dedicated fuel rod thermomechanical computer code. This paper provides an outline of the methodology for the analysis of the 2A LB-LOCA accident in Atucha-2 NPP and describes the procedure adopted for the use of the fuel rod thermomechanical code. The methodology implies the application of best estimate thermalhydraulics, neutron physics, and fuel pin performance computer codes, with the objective to verify the compliance with the specific acceptance criteria. The fuel pin performance code is applied with the main objective to evaluate the extent of cladding failures during the transient. The procedure consists of a deterministic calculation by the fuel performance code of each individual fuel rod during its lifetime and in the subsequent LB-LOCA transient calculations. The boundary and initial conditions are provided by core physics and three-dimensional neutron kinetic coupled thermal-hydraulic system codes calculations. The procedure is completed by the sensitivity calculations and the application of the probabilistic method, which are outside the scope of the current paper.

Preparation of mesoporous carbon nitride structure by the dealloying of Ni/a-CN nanocomposite films

Science.gov (United States)

Zhou, Han; Shen, Yongqing; Huang, Jie; Liao, Bin; Wu, Xianying; Zhang, Xu

2018-05-01

The preparation of mesoporous carbon nitride (p-CN) structure by the selective dealloying process of Ni/a-CN nanocomposite films is investigated. The composition and structure of the Ni/a-CN nanocomposite films and porous carbon nitride (p-CN) films are determined by scan electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Phase separated structure including nickel carbide phase and the surrounding amorphous carbon nitride (a-CN) matrix are detected for the as-deposited films. Though the bulk diffusion is introduced in the film during the annealing process, the grain sizes for the post-annealed films are around 10 nm and change little comparing with the ones of the as-deposited films, which is associated with the thermostability of the CN surrounding in the film. The p-CN skeleton with its pore size around 12.5 nm is formed by etching the post-annealed films, indicative of the stability of the phase separated structure during the annealing process.

Application of GIS-based SCS-CN method in West Bank catchments, Palestine

Directory of Open Access Journals (Sweden)

Sameer Shadeed

2010-03-01

Full Text Available Among the most basic challenges of hydrology are the prediction and quantification of catchment surface runoff. The runoff curve number (CN is a key factor in determining runoff in the SCS (Soil Conservation Service based hydrologic modeling method. The traditional SCS-CN method for calculating the composite curve number is very tedious and consumes a major portion of the hydrologic modeling time. Therefore, geographic information systems (GIS are now being used in combination with the SCS-CN method. This paper assesses the modeling of flow in West Bank catchments using the GIS-based SCS-CN method. The West Bank, Palestine, is characterized as an arid to semi-arid region with annual rainfall depths ranging between 100 mm in the vicinity of the Jordan River to 700 mm in the mountains extending across the central parts of the region. The estimated composite curve number for the entire West Bank is about 50 assuming dry conditions. This paper clearly demonstrates that the integration of GIS with the SCS-CN method provides a powerful tool for estimating runoff volumes in West Bank catchments, representing arid to semi-arid catchments of Palestine.

Two different one-dimensional structural motifs in [catena-{Cu(tacn)}2Pd(CN)4]Br2.[catena-Cu(tacn)Pd(CN)4]2.H2O (tacn is 1,4,7-triazacyclononane).

Science.gov (United States)

Kuchár, Juraj; Cernák, Juraj

2009-07-01

The title compound, catena-poly[[bis[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-di-mu-cyanido-kappa(4)N:C-palladate(II)-di-mu-cyanido-kappa(4)C:N] dibromide bis[[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-mu-cyanido-kappa(2)N:C-[dicyanidopalladate(II)]-mu-cyanido-kappa(2)C:N] monohydrate], {[Cu(2)Pd(CN)(4)(C(6)H(15)N(3))(2)]Br(2).[Cu(2)Pd(2)(CN)(8)(C(6)H(15)N(3))(2)].H(2)O}(n), (I), was isolated from an aqueous solution containing tacn.3HBr (tacn is 1,4,7-triazacyclononane), Cu(2+) and tetracyanidopalladate(2-) anions. The crystal structure of (I) is essentially ionic and built up of 2,2-electroneutral chains, viz. [Cu(tacn)(NC)-Pd(CN)(2)-(CN)-], positively charged 2,4-ribbons exhibiting the composition {[Cu(tacn)(NC)(2)-Pd(CN)(2)-Cu(tacn)](2n+)}(n), bromide anions and one disordered water molecule of crystallization. The O atom of the water molecule occupies two unique crystallographic positions, one on a centre of symmetry, which is half occupied, and the other in a general position with one-quarter occupancy. One of the tacn ligands also exhibits disorder. The formation of two different types of one-dimensional structural motif within the same structure is a unique feature of this compound.

Highly efficient alkane oxidation catalyzed by [Mn(V)(N)(CN)4](2-). Evidence for [Mn(VII)(N)(O)(CN)4](2-) as an active intermediate.

Science.gov (United States)

Ma, Li; Pan, Yi; Man, Wai-Lun; Kwong, Hoi-Ki; Lam, William W Y; Chen, Gui; Lau, Kai-Chung; Lau, Tai-Chu

2014-05-28

The oxidation of various alkanes catalyzed by [Mn(V)(N)(CN)4](2-) using various terminal oxidants at room temperature has been investigated. Excellent yields of alcohols and ketones (>95%) are obtained using H2O2 as oxidant and CF3CH2OH as solvent. Good yields (>80%) are also obtained using (NH4)2[Ce(NO3)6] in CF3CH2OH/H2O. Kinetic isotope effects (KIEs) are determined by using an equimolar mixture of cyclohexane (c-C6H12) and cyclohexane-d12 (c-C6D12) as substrate. The KIEs are 3.1 ± 0.3 and 3.6 ± 0.2 for oxidation by H2O2 and Ce(IV), respectively. On the other hand, the rate constants for the formation of products using c-C6H12 or c-C6D12 as single substrate are the same. These results are consistent with initial rate-limiting formation of an active intermediate between [Mn(N)(CN)4](2-) and H2O2 or Ce(IV), followed by H-atom abstraction from cyclohexane by the active intermediate. When PhCH2C(CH3)2OOH (MPPH) is used as oxidant for the oxidation of c-C6H12, the major products are c-C6H11OH, c-C6H10O, and PhCH2C(CH3)2OH (MPPOH), suggesting heterolytic cleavage of MPPH to generate a Mn═O intermediate. In the reaction of H2O2 with [Mn(N)(CN)4](2-) in CF3CH2OH, a peak at m/z 628.1 was observed in the electrospray ionization mass spectrometry, which is assigned to the solvated manganese nitrido oxo species, (PPh4)[Mn(N)(O)(CN)4](-)·CF3CH2OH. On the basis of the experimental results the proposed mechanism for catalytic alkane oxidation by [Mn(V)(N)(CN)4](2-)/ROOH involves initial rate-limiting O-atom transfer from ROOH to [Mn(N)(CN)4](2-) to generate a manganese(VII) nitrido oxo active species, [Mn(VII)(N)(O)(CN)4](2-), which then oxidizes alkanes (R'H) via a H-atom abstraction/O-rebound mechanism. The proposed mechanism is also supported by density functional theory calculations.

Cubic mesoporous Ag@CN: a high performance humidity sensor.

Science.gov (United States)

Tomer, Vijay K; Thangaraj, Nishanthi; Gahlot, Sweta; Kailasam, Kamalakannan

2016-12-01

The fabrication of highly responsive, rapid response/recovery and durable relative humidity (%RH) sensors that can precisely monitor humidity levels still remains a considerable challenge for realizing the next generation humidity sensing applications. Herein, we report a remarkably sensitive and rapid %RH sensor having a reversible response using a nanocasting route for synthesizing mesoporous g-CN (commonly known as g-C 3 N 4 ). The 3D replicated cubic mesostructure provides a high surface area thereby increasing the adsorption, transmission of charge carriers and desorption of water molecules across the sensor surfaces. Owing to its unique structure, the mesoporous g-CN functionalized with well dispersed catalytic Ag nanoparticles exhibits excellent sensitivity in the 11-98% RH range while retaining high stability, negligible hysteresis and superior real time %RH detection performances. Compared to conventional resistive sensors based on metal oxides, a rapid response time (3 s) and recovery time (1.4 s) were observed in the 11-98% RH range. Such impressive features originate from the planar morphology of g-CN as well as unique physical affinity and favourable electronic band positions of this material that facilitate water adsorption and charge transportation. Mesoporous g-CN with Ag nanoparticles is demonstrated to provide an effective strategy in designing high performance %RH sensors and show great promise for utilization of mesoporous 2D layered materials in the Internet of Things and next generation humidity sensing applications.

Synthesis, spectroscopic, thermal and structural properties of [M(3-aminopyridine)2Ni(μ-CN)2(CN)2]n (M(II) = Co and Cu) heteropolynuclear cyano-bridged complexes

Science.gov (United States)

Kartal, Zeki

2016-01-01

Two novel cyano-bridged heteropolynuclear complexes, [Co(3-aminopyridine)2Ni(μ-CN)2(CN)2]n and [Cu(3-aminopyridine)2Ni(μ-CN)2(CN)2]n have been synthesized and characterized by elemental, thermal, FT-IR and FT-Raman spectroscopies. The structures of complexes have been determined by X-ray powder diffraction. The FT-IR and FT-Raman spectra of complexes have been recorded in the region of 3500-400 cm-1 and 3500-100 cm-1, respectively. General information was acquired about structural properties of these complexes from FT-IR and FT-Raman spectra by considering changes at characteristic peaks of the cyano group and 3AP. The splitting of the ν(Ctbnd N) stretching bands in the FT-IR spectra for complexes indicates the presence of terminal and bridging cyanides. The thermal behaviors of these complexes have been also investigated in the range of 25-950 °C using TG and DTG methods. Magnetic susceptibility measurements were made at room temperature using Gouy-balance.

37-Active rods fuel element for Atucha 1 nuclear power plant. Effects of this change in design over the neutronic behavior, decay power and radioactive inventory

International Nuclear Information System (INIS)

Villar, Javier E.

1999-01-01

The influence of the use of 37-rods fuel element on the behavior of the Atucha 1 nuclear power plant homogeneous core with slightly enriched fuel to 0.85 w % were studied through representative parameters such as average discharge burnup, channel powers, reactivity coefficients, kinetic parameters, radioactive inventory and decay power. In general, the values of mentioned parameters are similar to those corresponding to a core with the 36-rods fuel element actually in use, although it must be emphasized a decrease both in linear power and, in minor degree, in the efficiency of shut-off and control rods and a slight increase in the discharge burnup. The fuel management strategy developed for a core with 36-rods elements can be maintained. (author)

Evaluation of SCS-CN method using a fully distributed physically based coupled surface-subsurface flow model

Science.gov (United States)

Shokri, Ali

2017-04-01

The hydrological cycle contains a wide range of linked surface and subsurface flow processes. In spite of natural connections between surface water and groundwater, historically, these processes have been studied separately. The current trend in hydrological distributed physically based model development is to combine distributed surface water models with distributed subsurface flow models. This combination results in a better estimation of the temporal and spatial variability of the interaction between surface and subsurface flow. On the other hand, simple lumped models such as the Soil Conservation Service Curve Number (SCS-CN) are still quite common because of their simplicity. In spite of the popularity of the SCS-CN method, there have always been concerns about the ambiguity of the SCS-CN method in explaining physical mechanism of rainfall-runoff processes. The aim of this study is to minimize these ambiguity by establishing a method to find an equivalence of the SCS-CN solution to the DrainFlow model, which is a fully distributed physically based coupled surface-subsurface flow model. In this paper, two hypothetical v-catchment tests are designed and the direct runoff from a storm event are calculated by both SCS-CN and DrainFlow models. To find a comparable solution to runoff prediction through the SCS-CN and DrainFlow, the variance between runoff predictions by the two models are minimized by changing Curve Number (CN) and initial abstraction (Ia) values. Results of this study have led to a set of lumped model parameters (CN and Ia) for each catchment that is comparable to a set of physically based parameters including hydraulic conductivity, Manning roughness coefficient, ground surface slope, and specific storage. Considering the lack of physical interpretation in CN and Ia is often argued as a weakness of SCS-CN method, the novel method in this paper gives a physical explanation to CN and Ia.

Structural phase transitions in Zn(CN)2 under high pressures

International Nuclear Information System (INIS)

Poswal, H.K.; Tyagi, A.K.; Lausi, Andrea; Deb, S.K.; Sharma, Surinder M.

2009-01-01

High pressure behavior of zinc cyanide (Zn(CN) 2 ) has been investigated with the help of synchrotron-based X-ray diffraction measurements. Our studies reveal that under pressure this compound undergoes phase transformations and the structures of the new phases depend on whether the pressure is hydrostatic or not. Under hydrostatic conditions, Zn(CN) 2 transforms from cubic to orthorhombic to cubic-II to amorphous phases. In contrast, the non-hydrostatic pressure conditions drive the ambient cubic phase to a partially disordered crystalline phase, which eventually evolves to a substantially disordered phase. The final disordered phase in the latter case is distinct from the amorphous phase observed under the hydrostatic pressures. - Graphical abstract: High pressure X-ray diffraction investigations on Zn(CN) 2 show three phase transformations i.e., cubic→orthorhombic→cubic-II→amorphous. However, the results strongly depend upon the nature of stress

Bacterial Electrocatalysis of K4[Fe(CN)6] Oxidation

DEFF Research Database (Denmark)

Zheng, Zhiyong; Xiao, Yong; Wu, Ranran

Shewanella oneidensis MR-1 (MR-1), a model strain of electrochemically active bacteria, can transfer electrons from cell to extracellular electron acceptors including Fe(III) (hydro)oxides. It has been reported that several redox species such as cytochromes in membranes and flavins assist...... in the electron transport (ET) processes. However, the oxidization of metal compounds was barely described. Here we report electrocatalysis of K4[Fe(CN)6] oxidation by MR-1. K4[Fe(CN)6] is a redox inorganic compound and shows a reversible redox process on bare glassy carbon (GCE). This is reflected by a pair...

WebCN: A web-based computation tool for in situ-produced cosmogenic nuclides

Energy Technology Data Exchange (ETDEWEB)

Ma Xiuzeng [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States)]. E-mail: hongju@purdue.edu; Li Yingkui [Department of Geography, University of Missouri-Columbia, Columbia, MO 65211 (United States); Bourgeois, Mike [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Caffee, Marc [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Elmore, David [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Granger, Darryl [Department of Earth and Atmospheric Sciences, Purdue University, West Lafayette, IN 47907 (United States); Muzikar, Paul [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Smith, Preston [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States)

2007-06-15

Cosmogenic nuclide techniques are increasingly being utilized in geoscience research. For this it is critical to establish an effective, easily accessible and well defined tool for cosmogenic nuclide computations. We have been developing a web-based tool (WebCN) to calculate surface exposure ages and erosion rates based on the nuclide concentrations measured by the accelerator mass spectrometry. WebCN for {sup 10}Be and {sup 26}Al has been finished and published at http://www.physics.purdue.edu/primelab/for{sub u}sers/rockage.html. WebCN for {sup 36}Cl is under construction. WebCN is designed as a three-tier client/server model and uses the open source PostgreSQL for the database management and PHP for the interface design and calculations. On the client side, an internet browser and Microsoft Access are used as application interfaces to access the system. Open Database Connectivity is used to link PostgreSQL and Microsoft Access. WebCN accounts for both spatial and temporal distributions of the cosmic ray flux to calculate the production rates of in situ-produced cosmogenic nuclides at the Earth's surface.

A syntactical comparison between pair sentential calculus PSC and Gupta's definitional calculus Cn

OpenAIRE

石井,忠夫

2016-01-01

In this paper we will compare two logical systems PSC and Cn with a syntactical point of view. Because both notions of the pair-sentence with stage number in PSC and Gupta's sentence-definition with revision stage number in Cn are very similar, and both can deal with paradoxical sentences like a simple Liar sentence. His system was defined as a predicate calculus, but here we will introduce the propositional version of Cn for the comparison, and we had the following results: (1) C0 is a sublo...

Synthesis and molecular structure of [Cu(NH3)4][Ni(CN)4]: A missing piece in the [Cu(NH3)n][Ni(CN)4] story

Science.gov (United States)

Solanki, Dina; Hogarth, Graeme

2015-11-01

Reaction of CuCl2·2H2O and K2[Ni(CN)4]·2H2O in aqueous ammonia gave blue rod-like crystals of [Cu(NH3)4][Ni(CN)4]. An X-ray crystallographic reveals that square-planar anions and cations are weakly associated through coordination of a cis pair of cyanide ligands to copper, with one short and one long contact and thus the copper centre is best described as a square-based pyramid. Crystals lose ammonia readily upon removal from the solvent and this has been probed by TGA and DSC measurements. For comparison we have also re-determined the structure of the related ethylenediamine (en) complex [Cu(en)2][Ni(CN)4] at 150 K. This consists of a 1D chain in which a trans pair of cyanide ligands bind to copper such that the latter has an overall tetragonally distorted octahedral coordination geometry.

Efficient adsorption of Au(CN)2- from gold cyanidation with graphene oxide-polyethylenimine hydrogel as adsorbent

Science.gov (United States)

Yang, Lang; Jia, Feifei; Yang, Bingqiao; Song, Shaoxian

The adsorption of gold cyanide complex ion (Au(CN)2-) on graphene oxide-polyethylenimine hydrogel (GO/PEI hydrogel) from gold cyanidation has been studied to explore the possibility of the application of GO/PEI hydrogel in gold cyanidation process for extracting gold from ores. The adsorption was carried out in artificial Au(CN)2- aqueous solution with GO/PEI hydrogel as adsorbent. The experimental results, as well as IR, XPS and SEM-EDS, have shown that GO/PEI hydrogel exhibited a high adsorption capacity and a fast adsorption rate of Au(CN)2-, suggesting that GO/PEI hydrogel might be a good adsorbent for the recovery of Au(CN)2-. The adsorption of Au(CN)2- on GO/PEI hydrogel obeyed the Langmuir isotherm model and fitted well with the pseudo second order model. The good recovery of Au(CN)2- was largely related to the porous structure, large specific surface area, as well as the oxygenous functional groups on the surface of GO/PEI hydrogel.

EDF-1 downregulates the CaM/Cn/NFAT signaling pathway during adipogenesis

International Nuclear Information System (INIS)

López-Victorio, Carlos J.; Velez-delValle, Cristina; Beltrán-Langarica, Alicia; Kuri-Harcuch, Walid

2013-01-01

Highlights: ► EDF-1 participates early adipogenesis in 3T3F442A cells induced with Staurosporine/Dexamethasone. ► EDF-1 associates with CaM and Cn, most likely inactivating Cn. ► EDF-1/CaM complex seems to prevent NFATc1 activation by Cn. ► EDF-1 regulates the Cn/CaM/NFATc1 pathway during adipogenesis. ► EDF-1 may regulate the activation of Cn through a complex formation with CaM. - Abstract: The endothelial differentiation factor-1 (EDF-1) is a calmodulin binding protein that regulates calmodulin-dependent enzymes. In endothelial cells, this factor can form a protein complex with calmodulin. We analyzed the relationship between this factor and the members of calmodulin/calcineurin/nuclear factor of activated T-cells (NFAT) signaling pathway during adipogenesis of 3T3-F442A cells. We found that the expression of edf1 is upregulated during early adipogenesis, whereas that of calcineurin gene is lowered, suggesting that this pathway should be downregulated to allow for adipogenesis to occur. We also found that EDF-1 associates with calmodulin and calcineurin, most likely inactivating calcineurin. Our results showed that EDF-1 inactivates the calmodulin/calcineurin/NFAT pathway via sequestration of calmodulin, during early adipogenesis, and we propose a mechanism that negatively regulates the activation of calcineurin through a complex formation between EDF-1 and calmodulin. This finding raises the possibility that modulating this pathway might offer some alternatives to regulate adipose biology

EDF-1 downregulates the CaM/Cn/NFAT signaling pathway during adipogenesis

Energy Technology Data Exchange (ETDEWEB)

López-Victorio, Carlos J.; Velez-delValle, Cristina; Beltrán-Langarica, Alicia [Department of Cell Biology, Center for Research and Advanced Studies-IPN, Apdo. Postal 14-740, México City 07000 (Mexico); Kuri-Harcuch, Walid, E-mail: walidkuri@gmail.com [Department of Cell Biology, Center for Research and Advanced Studies-IPN, Apdo. Postal 14-740, México City 07000 (Mexico)

2013-03-01

Highlights: ► EDF-1 participates early adipogenesis in 3T3F442A cells induced with Staurosporine/Dexamethasone. ► EDF-1 associates with CaM and Cn, most likely inactivating Cn. ► EDF-1/CaM complex seems to prevent NFATc1 activation by Cn. ► EDF-1 regulates the Cn/CaM/NFATc1 pathway during adipogenesis. ► EDF-1 may regulate the activation of Cn through a complex formation with CaM. - Abstract: The endothelial differentiation factor-1 (EDF-1) is a calmodulin binding protein that regulates calmodulin-dependent enzymes. In endothelial cells, this factor can form a protein complex with calmodulin. We analyzed the relationship between this factor and the members of calmodulin/calcineurin/nuclear factor of activated T-cells (NFAT) signaling pathway during adipogenesis of 3T3-F442A cells. We found that the expression of edf1 is upregulated during early adipogenesis, whereas that of calcineurin gene is lowered, suggesting that this pathway should be downregulated to allow for adipogenesis to occur. We also found that EDF-1 associates with calmodulin and calcineurin, most likely inactivating calcineurin. Our results showed that EDF-1 inactivates the calmodulin/calcineurin/NFAT pathway via sequestration of calmodulin, during early adipogenesis, and we propose a mechanism that negatively regulates the activation of calcineurin through a complex formation between EDF-1 and calmodulin. This finding raises the possibility that modulating this pathway might offer some alternatives to regulate adipose biology.

Hydrothermal syntheses, structural, Raman, and luminescence studies of Cm[M(CN)2]3.3H2O and Pr[M(CN)2]3.3H2O (M=Ag, Au)

International Nuclear Information System (INIS)

Assefa, Zerihun; Haire, Richard G.; Sykora, Richard E.

2008-01-01

We have prepared Cm[Au(CN) 2 ] 3 .3H 2 O and Cm[Ag(CN) 2 ] 3 .3H 2 O as a part of our continuing investigations into the chemistry of the 5f-elements' dicyanometallates. Single crystals of Cm[Au(CN) 2 ] 3 .3H 2 O were obtained from the reaction of CmCl 3 and KAu(CN) 2 under mild hydrothermal conditions. Due to similarities in size, the related praseodymium compounds were also synthesized and characterized for comparison with the actinide systems. The compounds crystallize in the hexagonal space group P6 3 /mcm, where the curium and the transition metals interconnect through cyanide bridging. Crystallographic data (Mo Kα, λ=0.71073 A): Cm[Au(CN) 2 ] 3 .3H 2 O (1), a=6.6614(5) A, c=18.3135(13) A, V=703.77(9), Z=2; Pr[Au(CN) 2 ] 3 .3H 2 O (3), a=6.6662(8) A, c=18.497(3) A, V=711.83(17), Z=2; Pr[Ag(CN) 2 ] 3 .3H 2 O (4), a=6.7186(8) A, c=18.678(2) A, V=730.18(14), Z=2. The Cm 3+ and/or Pr 3+ ions are coordinated to six N-bound CN - groups resulting in a trigonal prismatic arrangement. Three oxygen atoms of coordinated water molecules tricap the trigonal prismatic arrangement providing a coordination number of nine for the f-elements. The curium ions in both compounds exhibit a strong red emission corresponding to the 6 D 7/2 → 8 S 7/2 transition. This transition is observed at 16,780 cm -1 , with shoulders at 17,080 and 16,840 cm -1 for the Ag complex, while the emission is red shifted by ∼100 cm -1 in the corresponding gold complex. The Pr systems also provide well-resolved emissions upon f-f excitation. - Graphical abstract: Coordination polymeric compounds between a trans-plutonium element, curium and transition metal ions, gold(I) and silver(I), were prepared using the hydrothermal synthetic procedure. The curium ion and the transition metals are interconnected through cyanide bridging. The Cm ion has a tricapped trigonal prismatic coordination environment with coordination number of nine. Detail photoluminescence studies of the complexes are also reported

Calculations of the optical properties for FA1:Ag+ centers and CN interactions at the regular and defect sites of the LiI (0 0 1) surface: First principle calculations

International Nuclear Information System (INIS)

Abdel Aal, S.

2007-01-01

The optical properties of the F A1 :Ag + color centers and CN interactions at the flat, edge and corner surfaces of LiI (0 0 1) were investigated by using quantum mechanical configuration interaction singles (CIS) and density functional theory (DFT) ab initio methods. Clusters of variable sizes were embedded in the simulated Coulomb fields that closely approximate the Madelung fields of the host surfaces, and the nearest-neighbor ions to the defect site were allowed to relax to equilibrium in order to calculate the optical properties. The sensitivity of the calculated transition energies (Stokes shifts) of F A1 :Ag + centers as well as related optical properties such as optical-optical conversion efficiency, relaxed excited states of the defect-containing surface, orientational destruction of the point defect, recording sensitivity, and the Glasner-Tompkins empirical rule, to the coordination number of the surface ion and artificial polarization were examined. The dependance of the adsorption energies of CN at LiI (0 0 1) surface, the coadsorption of CN, and the charge transfer reactions between CN and the paramagnetic iodine vacancy on the coordination number and artificial polarization effects were also clarified

Structural and thermodynamic study of the system Th-C-N in the presence of excess graphite; the existence of a new hexagonal phase β 'ThCN' stable at high temperature

International Nuclear Information System (INIS)

Pialoux, A.

1980-01-01

The progressive reaction of nitrogen on the 'dicarbide' of thorium in the presence of excess graphite has been studied using X-ray diffractometry at high temperature (T 0 C) under controlled pressure (10 -3 0 C using measurements of crystalline parameters, equilibrium pressures and free enthalpies of standard formation of the various carbonitrides and nitrides observed. It is notably shown that the 'dicarbide' in stable at psub(N2)'s considerably weaker than those stated by Benz and Froxel, the nitrogen content of the γ Th C 2 ' cubic phase increasing furthermore with temperature. The new β 'ThCN' phase which does not quench crystallizes in the hexagonal system and in reattatched to the group space with P31 m, the various contractions of tis crystalline parameter Csub(β) is interpreted as a closing of the double bond of the C 2 pairs in this structure. The temperature of 1125 0 C is attributed to the new polymorphic transformation: β 'ThCN' hexagonal reversible α 'ThCN' monoclinic which appear to be of the martensitic type, the crystalline parameters of α'ThCN' being furthermore measured from 20 to 1125 0 C. (orig.)

Review IPEEE C.N. external event Vandellos II; Revision del IPEEE de otros sucesos externos de C.N. Vandellos II

Energy Technology Data Exchange (ETDEWEB)

Hernandez, H.; Gasca, C.; Beltran, F.; Salvat, M.; Pifarre, D.; Canadell, F.; Aleman, A.

2010-07-01

Within the process of maintaining and updating the risk analysis of CN Vandellos II, results from the review of the study of vulnerability of the plant against severe accidents caused by external events (Individual Plant Examination on Extornal Events, IPEEE).

Routine production of H11CN and :11C:-1-aminocyclopentanecarboxylic acid

International Nuclear Information System (INIS)

Sambre, J.; Vandecasteele, C.; Geothals, P.; Rabi, N.A.; Haver, D. van; Slegers, G.

1985-01-01

The production of H 11 CN using the 14 N(p,α) 11 C reaction, was studied. The yield is 140 mCi/μA at saturation (EOB). From 1.8 Ci of H 11 CN 140 mCi of [ 11 C]ACPC are produced routinely and under remote-control. Chemical and pharmaceutical controls showed that the product is suitable for injection. (author)

[Hydrogen production and enzyme activity of acidophilic strain X-29 at different C/N ratio].

Science.gov (United States)

Li, Qiu-bo; Xing, De-feng; Ren, Nan-qi; Zhao, Li-hua; Song, Ye-ying

2006-04-01

Some fermentative bacteria can produce hydrogen by utilizing carbohydrate and other kinds of organic compounds as substrates. Hydrogen production was also determined by both the limiting of growth and related enzyme activity in energy metabolism. Carbon and nitrogen are needed for the growth and metabolism of microorganisms. In addition, the carbon/nitrogen (C/N) ratio can influence the material metabolized and the energy produced. In order to improve the hydrogen production efficiency of the bacteria, we analyzed the effect of different C/N ratios on hydrogen production and the related enzyme activities in the acidophilic strain X-29 using batch test. The results indicate that the differences in the metabolism level and enzyme activity are obvious at different C/N ratios. Although the difference in liquid fermentative products produced per unit of biomass is not obvious, hydrogen production is enhanced at a specifically determined ratio. At a C/N ratio of 14 the accumulative hydrogen yield of strain X-29 reaches the maximum, 2210.9 mL/g. At different C/N ratios, the expression of hydrogenase activity vary; the activity of hydrogenase decrease quickly after reaching a maximum along with the fermentation process, but the time of expression is short. The activity of alcohol dehydrogenase (ADH) tend to stabilize after reaching a peak along with the fermentation process, the difference in expression activity is little, and the expression period is long at different C/N ratios. At a C/N ratio of 14 hydrogenase and ADH reach the maximum 2.88 micromol x (min x mg)(-1) and 33.2 micromol x (min x mg)(-1), respectively. It is shown that the C/N ratio has an important effect on enhancing hydrogen production and enzyme activity.

Low energy electron attachment to cyanamide (NH{sub 2}CN)

Energy Technology Data Exchange (ETDEWEB)

Tanzer, Katrin; Denifl, Stephan, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Pelc, Andrzej, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Mass Spectrometry Department, Institute of Physics, Marie Curie-Sklodowska University, Pl. M. C.-Sklodowskiej 1, 20-031 Lublin (Poland); Huber, Stefan E. [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany); Czupyt, Z. [Ion Microprobe Facility Micro-area Analysis Laboratory, Polish Geological Institute–National Research Institute, Rakowiecka 4, 00-975 Warszawa (Poland)

2015-01-21

Cyanamide (NH{sub 2}CN) is a molecule relevant for interstellar chemistry and the chemical evolution of life. In the present investigation, dissociative electron attachment to NH{sub 2}CN has been studied in a crossed electron–molecular beams experiment in the electron energy range from about 0 eV to 14 eV. The following anionic species were detected: NHCN{sup −}, NCN{sup −}, CN{sup −}, NH{sub 2}{sup −}, NH{sup −}, and CH{sub 2}{sup −}. The anion formation proceeds within two broad electron energy regions, one between about 0.5 and 4.5 eV and a second between 4.5 and 12 eV. A discussion of possible reaction channels for all measured negative ions is provided. The experimental results are compared with calculations of the thermochemical thresholds of the anions observed. For the dehydrogenated parent anion, we explain the deviation between the experimental appearance energy of the anion with the calculated corresponding reaction threshold by electron attachment to the isomeric form of NH{sub 2}CN—carbodiimide.

Neutronic calculations for the reactor pressure vessel of Atucha I nuclear power plant

International Nuclear Information System (INIS)

Lerner, Ana M.; Madariaga, Marcelo R.

1999-01-01

In 1974 a surveillance program for the Atucha I nuclear power plant pressure vessel was initiated which included the construction of different types of specimens, distributed in 30 irradiation capsules located under the core at the lower part of some of the fuel channels. The capsules containing the irradiated specimens were withdrawn in two stages; the first set (SET 1) of 15 specimens in 1980 and the second one (SET 2) of the remaining 15, in 1987. Both fracture mechanic tests and dosimetry analysis were carried out by the designer (KWU) for SET1 and by the owner National Atomic Energy Commission (CNEA) for SET2. The calculations performed in the case of SET1 showed that there was a significant spectrum difference between the position where the specimens had been and the reactor pressure vessel (RPV) - inner surface (IS). It was established that the ratio of thermal flux (E 1 MeV) varied, approximately, from 1000 to 10 from the irradiation position to the RPV- IS. The purpose of this report is to show the calculations recently performed at the Nuclear Regulatory Authority, with particular emphasis on the difference in the results generated by the modification to sightly enriched fuel. A simplified 1-D calculations show that there is a slight increase (4% approximately) in the flux along the whole energy range. As it has already been mentioned, this is due, more than to the isotopic composition of the new fuel, to the difference in power density spatial distribution, which is a consequence of a different fuel management, necessary to preserve operational limits below their maximum allowed values with the same total thermal power generated. More detailed calculations are nevertheless foreseen in order to verify these first results. (author)

Multiple stellar populations of globular clusters from homogeneous Ca-Cn photometry. II. M5 (NGC 5904) and a new filter system

OpenAIRE

Lee, Jae-Woo

2017-01-01

Using our ingeniously designed new filter systems, we investigate the multiple stellar populations of the RGB and AGB in the GC M5. Our results are the following. (1) Our cn_jwl index accurately traces the nitrogen abundances in M5, while other color indices fail to do so. (2) We find bimodal CN distributions both in the RGB and the AGB sequences, with the number ratios between the CN-weak (CN-w) and the CN-strong (CN-s) of n(CN-w):n(CN-s) = 29:71(+/- 2) and 21:79(+/- 7), respectively. (3) We...

Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.

Science.gov (United States)

Ruiz-Castillo, Paula; Buchwald, Stephen L

2016-10-12

Pd-catalyzed cross-coupling reactions that form C-N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C-N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts.

EST Table: CN379387 [KAIKOcDNA[Archive

Lifescience Database Archive (English)

Full Text Available CN379387 rzhswbb0_004120 10/09/28 99 %/113 aa gb|ADB13006.1| elongation factor-1 alpha [Colias pelidne skinn...eri] 10/09/01 95 %/113 aa FBpp0257399|DyakGE12389-PA 10/08/28 77 %/113 aa R03G5.1d#

Synthesis of SiCN@TiO2 core-shell ceramic microspheres via PDCs method

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Liu, Hongli; Wei, Ning; Li, Jing; Zhang, Haiyuan; Chu, Peng

2018-02-01

A facile and effective polymer-derived ceramics (PDCs) emulsification-crosslinking-pyrolysis method was developed to fabricate SiCN@TiO2 core-shell ceramic microspheres with polyvinylsilazane (PVSZ) and tetrabutyl titanate (TBT) as precursors. The TBT: PVSZ mass ratios, emulsifier concentrations and the pyrolysis temperature were examined as control parameters to tune the size and morphology of microspheres. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed the synthesized SiCN@TiO2 microspheres to be comprised of SiCN core coated with TiO2 crystals, with an average size of 0.88 μm when pyrolyzed at 1400 °C. The analysis of Fourier transform infrared spectroscopy (FT-IR), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) ensured that SiCN@TiO2 core-shell ceramic microspheres composed of rutile TiO2, β-SiC and Si3N4 crystalline phases, The thermal properties were characterized by thermogravimetric analysis (TGA). The obtained SiCN@TiO2 core-shell ceramic microspheres were the promising candidate of the infrared opacifier in silica aerogels and this technique can be extended to other preceramic polymers.

Syntheses, structures, and magnetic properties of three new MnII-[MoIII(CN)7]4- molecular magnets.

Science.gov (United States)

Wei, Xiao-Qin; Pi, Qian; Shen, Fu-Xing; Shao, Dong; Wei, Hai-Yan; Wang, Xin-Yi

2018-05-22

By reaction of K4[MoIII(CN)7]·2H2O, Mn(ClO4)2·6H2O and bidentate chelating ligands, three new cyano-bridged compounds, namely Mn2(3-pypz)(H2O)(CH3CN)[Mo(CN)7] (1), Mn2(1-pypz)(H2O)(CH3CN)[Mo(CN)7] (2) and Mn2(pyim)(H2O)(CH3CN)[Mo(CN)7] (3) (3-pypz = 2-(1H-pyrazol-3-yl)pyridine, 1-pypz = 2-(1H-pyrazol-1-yl)pyridine, pyim = 2-(1H-imidazol-2-yl)pyridine), have been synthesized and characterized structurally and magnetically. Single crystal X-ray analyses revealed that although the chelating ligands are different, compounds 1 to 3 are isomorphous and crystallize in the same monoclinic space group C2/m. Connected by the bridging cyano groups, one crystallographically unique [Mo(CN)7]4- unit and three crystallographically unique MnII ions of different coordination environments form similar three-dimensional frameworks, which have a four-nodal 3,4,4,7-connecting topological net with a vertex symbol of {43}{44·62}2{410·611}. Magnetic measurements revealed that compounds 1-3 display long-range magnetic ordering with critical temperatures of 64, 66 and 62 K, respectively. These compounds are rare examples of a small number of chelating co-ligand coordinated [Mo(CN)7]4--based magnetic materials. Specifically, the bidentate chelating ligands were successfully introduced into the heptacyanomolybdate system for the first time.

Synergy between erosion-corrosion of steel AISI 4140 covered by a multilayer TiCN / TiNbCN, at an impact angle of 90°

Directory of Open Access Journals (Sweden)

Willian Aperador Chaparro

2013-01-01

Full Text Available El propósito de este trabajo es estudiar el efecto de la erosión corrosión en el desgaste de los recubrimientos en forma de multicapas de [TiCN / TiNbCN] n depositadas sobre sustratos de acero AISI 4140. El crecimiento de las multicapas de [TiCN / TiNbCN] n se realizó mediante un sistema magnetrón sputtering con RF reactivo en el que se varió sistemáticamente el período bicapa (Λ, y el número bicapa (n, manteniendo constante el espesor total de las capas (~ 3 micras. Las multicapas se evaluaron comparando la corrosión, erosión y erosión – corrosión a un ángulo de impacto de 90 º en una solución de 0,5 M de NaCl y de sílice, analizando el número de bicapas sobre en la resistencia a la corrosión de estos recubrimientos. Las curvas de polarización se realizaron en el potencial de reposo. Posteriormente de la realización de los experimentos de las curvas de polarización las muestras se analizaron por microscopía electrónica de barrido. Los resultados muestran que el buen rendimiento de los sistemas multicapa en sistemas dinámicos de corrosión y corrosión por erosión y la mejora de desgaste es debido al hecho de que las curvas de polarización se mueven hacia las zonas donde las densidades de corriente disminuyen al aumentar el número de bicapas.

Synthesis of polypyrrole within the cell wall of yeast by redox-cycling of [Fe(CN)6](3-)/[Fe(CN)6](4-).

Science.gov (United States)

Ramanavicius, Arunas; Andriukonis, Eivydas; Stirke, Arunas; Mikoliunaite, Lina; Balevicius, Zigmas; Ramanaviciene, Almira

2016-02-01

Yeast cells are often used as a model system in various experiments. Moreover, due to their high metabolic activity, yeast cells have a potential to be applied as elements in the design of biofuel cells and biosensors. However a wider application of yeast cells in electrochemical systems is limited due to high electric resistance of their cell wall. In order to reduce this problem we have polymerized conducting polymer polypyrrole (Ppy) directly in the cell wall and/or within periplasmic membrane. In this research the formation of Ppy was induced by [Fe(CN)6](3-)ions, which were generated from K4[Fe(CN)6], which was initially added to polymerization solution. The redox process was catalyzed by oxido-reductases, which are present in the plasma membrane of yeast cells. The formation of Ppy was confirmed by spectrophotometry and atomic force microscopy. It was confirmed that the conducting polymer polypyrrole was formed within periplasmic space and/or within the cell wall of yeast cells, which were incubated in solution containing pyrrole, glucose and [Fe(CN)6](4-). After 24h drying at room temperature we have observed that Ppy-modified yeast cell walls retained their initial spherical form. In contrast to Ppy-modified cells, the walls of unmodified yeast have wrinkled after 24h drying. The viability of yeast cells in the presence of different pyrrole concentrations has been evaluated. Copyright © 2015 Elsevier Inc. All rights reserved.

Review IPEEE C.N. external event Vandellos II

International Nuclear Information System (INIS)

Hernandez, H.; Gasca, C.; Beltran, F.; Salvat, M.; Pifarre, D.; Canadell, F.; Aleman, A.

2010-01-01

Within the process of maintaining and updating the risk analysis of CN Vandellos II, results from the review of the study of vulnerability of the plant against severe accidents caused by external events (Individual Plant Examination on Extornal Events, IPEEE).

Multiple Stellar Populations of Globular Clusters from Homogeneous Ca-CN Photometry. II. M5 (NGC 5904) and a New Filter System

Science.gov (United States)

Lee, Jae-Woo

2017-07-01

Using our ingeniously designed new filter systems, we investigate multiple stellar populations of the red giant branch (RGB) and the asymptotic giant branch (AGB) in the globular cluster (GC) M5. Our results are the following. (1) Our {{cn}}{JWL} index accurately traces nitrogen abundances in M5, while other color indices fail to do so. (2) We find bimodal CN distributions in both RGB and AGB sequences, with number ratios between CN-weak (CN-w) and CN-strong (CN-s) of n(CN-w):n(CN-s) = 29:71 (±2) and 21:79 (±7), respectively. (3) We also find a bimodal photometric [N/Fe] distribution for M5 RGB stars. (4) Our {{cn}}{JWL}-[O/Fe] and {{cn}}{JWL}-[Na/Fe] relations show clear discontinuities between the two RGB populations. (5) Although small, the RGB bump of CN-s is slightly brighter, {{Δ }}{V}{bump} = 0.07 ± 0.04 mag. If real, the difference in the helium abundance becomes {{Δ }}Y = 0.028 ± 0.016, in the sense that CN-s is more helium enhanced. (6) Very similar radial but different spatial distributions with comparable center positions are found for the two RGB populations. The CN-s RGB and AGB stars are more elongated along the NW-SE direction. (7) The CN-s population shows a substantial net projected rotation, while that of the CN-w population is nil. (8) Our results confirm the deficiency of CN-w AGB stars previously noted by others. We show that it is most likely due to stochastic truncation in the outer part of the cluster. Finally, we discuss the formation scenario of M5. Based on observations made with the Cerro Tololo Inter-American Observatory (CTIO) 1 m telescope, which is operated by the SMARTS consortium.

Soil microbial C:N ratio is a robust indicator of soil productivity for paddy fields

Science.gov (United States)

Li, Yong; Wu, Jinshui; Shen, Jianlin; Liu, Shoulong; Wang, Cong; Chen, Dan; Huang, Tieping; Zhang, Jiabao

2016-10-01

Maintaining good soil productivity in rice paddies is important for global food security. Numerous methods have been developed to evaluate paddy soil productivity (PSP), most based on soil physiochemical properties and relatively few on biological indices. Here, we used a long-term dataset from experiments on paddy fields at eight county sites and a short-term dataset from a single field experiment in southern China, and aimed at quantifying relationships between PSP and the ratios of carbon (C) to nutrients (N and P) in soil microbial biomass (SMB). In the long-term dataset, SMB variables generally showed stronger correlations with the relative PSP (rPSP) compared to soil chemical properties. Both correlation and variation partitioning analyses suggested that SMB N, P and C:N ratio were good predictors of rPSP. In the short-term dataset, we found a significant, negative correlation of annual rice yield with SMB C:N (r = -0.99), confirming SMB C:N as a robust indicator for PSP. In treatments of the short-term experiment, soil amendment with biochar lowered SMB C:N and improved PSP, while incorporation of rice straw increased SMB C:N and reduced PSP. We conclude that SMB C:N ratio does not only indicate PSP but also helps to identify management practices that improve PSP.

Crystal structure of the coordination polymer [FeIII2{PtII(CN4}3

Directory of Open Access Journals (Sweden)

Maksym Seredyuk

2015-01-01

Full Text Available The title complex, poly[dodeca-μ-cyanido-diiron(IIItriplatinum(II], [FeIII2{PtII(CN4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN4]2− anions (point group symmetry 2/m bridging cationic [FeIIIPtII(CN4]+∞ layers extending in the bc plane. The FeII atoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtII atoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN4]+∞ layers corresponds to the length a/2 = 8.0070 (3 Å, and the separation between two neighbouring PtII atoms of the bridging [PtII(CN4]2− groups corresponds to the length of the c axis [7.5720 (2 Å]. The structure is porous with accessible voids of 390 Å3 per unit cell.

Vibrational emission analysis of the CN molecules in laser-induced breakdown spectroscopy of organic compounds

Energy Technology Data Exchange (ETDEWEB)

Fernández-Bravo, Ángel; Delgado, Tomás; Lucena, Patricia; Laserna, J. Javier, E-mail: laserna@uma.es

2013-11-01

Laser-induced breakdown spectroscopy (LIBS) of organic materials is based on the analysis of atomic and ionic emission lines and on a few molecular bands, the most important being the CN violet system and the C{sub 2} Swan system. This paper is focused in molecular emission of LIBS plasmas based on the CN (B{sup 2}Σ–X{sup 2}Σ) band, one of the strongest emissions appearing in all carbon materials when analyzed in air atmosphere. An analysis of this band with sufficient spectral resolution provides a great deal of information on the molecule, which has revealed that valuable information can be obtained from the plume chemistry and dynamics affecting the excitation mechanisms of the molecules. The vibrational emission of this molecular band has been investigated to establish the dependence of this emission on the molecular structure of the materials. The paper shows that excitation/emission phenomena of molecular species observed in the plume depend strongly on the time interval selected and on the irradiance deposited on the sample surface. Precise time resolved LIBS measurements are needed for the observation of distinctive CN emission. For the organic compounds studied, larger differences in the behavior of the vibrational emission occur at early stages after plasma ignition. Since molecular emission is generally more complex than that involving atomic emission, local plasma conditions as well as plume chemistry may induce changes in vibrational emission of molecules. As a consequence, alterations in the distribution of the emissions occur in terms of relative intensities, being sensitive to the molecular structure of every single material. - Highlights: • Vibrational emission of CN species in laser-induced plasmas has been investigated. • Distribution of vibrational emission of CN has been found to be time dependent. • Laser irradiance affects the vibrational distribution of the CN molecules. • Plume chemistry controls the excitation mechanisms of CN

Chemical Complexity in Local Diffuse and Translucent Clouds: Ubiquitous Linear C3H and CH3CN, a Detection of HC3N and an Upper Limit on the Abundance of CH2CN

Science.gov (United States)

Liszt, Harvey; Gerin, Maryvonne; Beasley, Anthony; Pety, Jerome

2018-04-01

We present Jansky Very Large Array observations of 20–37 GHz absorption lines from nearby Galactic diffuse molecular gas seen against four cosmologically distant compact radio continuum sources. The main new observational results are that l-C3H and CH3CN are ubiqitous in the local diffuse molecular interstellar medium at {\\text{}}{A}{{V}} ≲ 1, while HC3N was seen only toward B0415 at {\\text{}}{A}{{V}} > 4 mag. The linear/cyclic ratio is much larger in C3H than in C3H2 and the ratio CH3CN/HCN is enhanced compared to TMC-1, although not as much as toward the Horsehead Nebula. More consequentially, this work completes a long-term program assessing the abundances of small hydrocarbons (CH, C2H, linear and cyclic C3H and C3 {{{H}}}2, and C4H and C4H‑) and the CN-bearing species (CN, HCN, HNC, HC3N, HC5N, and CH3CN): their systematics in diffuse molecular gas are presented in detail here. We also observed but did not strongly constrain the abundances of a few oxygen-bearing species, most prominently HNCO. We set limits on the column density of CH2CN, such that the anion CH2CN‑ is only viable as a carrier of diffuse interstellar bands if the N(CH2CN)/N(CH2CN‑) abundance ratio is much smaller in this species than in any others for which the anion has been observed. We argue that complex organic molecules (COMS) are not present in clouds meeting a reasonable definition of diffuse molecular gas, i.e., {\\text{}}{A}{{V}} ≲ 1 mag. Based on observations obtained with the NRAO Jansky Very Large Array (VLA).

Iodine capture by Hofmann-type clathrate Ni(II)(pz)[Ni(II)(CN)_4

International Nuclear Information System (INIS)

Massasso, Giovanni; Long, Jerome; Haines, Julien; Devautour-Vinot, Sabine; Maurin, Guillaume; Larionova, Joulia; Guerin, Christian; Guari, Yannick; Grandjean, Agnes; Onida, Barbara; Donnadieu, Bruno

2014-01-01

The thermally stable Hofmann-type clathrate framework Ni(II)(pz)[Ni(II)(CN)_4] (pz = pyrazine) was investigated for the efficient and reversible sorption of iodine (I_2) in the gaseous phase and in solution with a maximum adsorption capacity of 1 mol of I_2 per 1 mol of Ni(II)pz)[Ni(II)(CN)_4] in solution. (authors)

2D water layer enclathrated between Mn(II)-Ni(CN)4 coordination frameworks

International Nuclear Information System (INIS)

Ray, Ambarish; Bhowmick, Indrani; Sheldrick, William S.; Jana, Atish Dipankar; Ali, Mahammed

2009-01-01

A [Ni(CN) 4 ] 2- based two-dimensional Mn(II) coordination polymer {Mn(H 2 O) 2 [NiCN] 4 .4H 2 O}, in which the coordination layers are stacked on top of each other sandwiching 2D water layer of boat-shaped hexagonal water clusters has been synthesized. The complex exhibits high thermal decomposition temperature and reversible water absorption, which were clearly demonstrated by thermal and PXRD studies on the parent and rehydrated complex after dehydration. - Abstract: A coordination polymer, {Mn(H 2 O) 2 [NiCN] 4 .4H 2 O} n , showed that the coordination layers are stacked on top of each other sandwiching 2D ice layer of boat-shaped hexagonal water clusters . Display Omitted

A critical quantum chemical and experimental study of the potentiality of direct labeling of the CN group with [99mTc(CO)3]+ or [186/188Re(CO)3]+ in CN containing biomolecules

International Nuclear Information System (INIS)

Safi, Benasser; Mertens, John; Kersemans, Ken; Geerlings, Paul

2008-01-01

Introduction: It was determined recently that [ 99m Tc(OH 2 ) 2 (X - )(CO 3 ) 3 ] could strongly bind to the CN group, allowing direct labeling of CN in vitamin B 12 despite the presence of a benzimidazole group. The aim of this paper was to perform a critical study of this potentiality, coupling quantum chemical calculations to experimental evidence. Methods: Computational methods: Within the density functional theory calculations, the 6-31+G** basis set (C, H, O, N atoms) and the LANL2DZ basis set (Tc,Re) were used. Stability calculations of the [RCNM(CO) 3 ] + ) (M=Tc,Re) complexes were performed with the Gaussian 03 suite of programs, while for the evaluation of relative stability substitution reactions were used. Radiochemistry: Vitamin B 12 , 4-hydroxy-benzylcyanide and 4-methoxy-benzonitrile were labeled at 100 deg. C during 30 min. High-performance liquid chromatography analysis was performed using radioactive and UV detection. Results: Computational methods: The influence of different ligands on the stability yielded a sequence: imidazole>tBuCN>NH 3 ∼CH 3 CN>HCN (mimicking the best CoCN)>H 2 O. The transmetalation reaction indicates that all ligands prefer Re to Tc. The preference for the nitrogen atom of imidazole to the cyanide nitrogen atom for complex formation with [Tc(CO) 3 (H 2 O) 3 ] + is interpreted in terms of the hard and soft acid and base properties principle. Radiochemistry: 4-Hydroxy-benzylcyanide and 4-methoxy-benzonitrile did not show any labeling. An excess of acetonitrile did not inhibit the labeling of vitamin B 12 as expected if the CN group should be involved, indicating that the labeling occurs on a stronger complexing group present like benzimidazole. Conclusion: Both theory and experiments prove that [CN-Tc(CO) 3 (H 2 O) (2-x) L x ] + complexes are weak and that in vitamin B 12 most probably the benzimidazole group is involved

Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

Energy Technology Data Exchange (ETDEWEB)

Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

2009-12-23

Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

Influence of trimethylsilane flow on the microstructure, mechanical and tribological properties of CrSiCN coatings in water lubrication

International Nuclear Information System (INIS)

Wu, Zhiwei; Zhou, Fei; Wang, Qianzhi; Zhou, Zhifeng; Yan, Jiwang; Li, Lawrence Kwok-Yan

2015-01-01

Highlights: • CrSiCN coatings with different Si and C contents were deposited. • CrSiCN coatings consisted of Cr(C,N) nanocrystallites and amorphous phases such as a-Si_3N_4(SiC, SiCN) and a-C(a-CN_x). • CrSiCN coatings exhibited the highest hardness of 21.3 GPa at the TMS flow of 10 sccm. • CrSiCN coatings deposited at the TMS flow of 10 sccm possessed the excellent tribological properties in water. • The wear mechanism changed from tribochemical wear to mechanical wear when the TMS flow increased. - Abstract: CrSiCN coatings with different silicon and carbon contents were deposited on silicon wafers and 316L stainless steels using unbalanced magnetron sputtering via adjusting trimethylsilane (TMS) flow, and their microstructure and mechanical properties were characterized by X-ray diffraction (XRD), scanning electron microscopy(SEM), X-ray photoelectrons spectroscopy(XPS) and nano-indenter, respectively. The tribological properties of CrSiCN coatings sliding against SiC balls in water were investigated using ball-on-disk tribometer. The results showed that the CrSiCN coatings had fine composite microstructure consisting of nanocrystallites of Cr(C, N) crystal and amorphous phases such as a-Si_3N_4 and a-C(a-CN_x). The typical columnar structures changed from fine cluster to coarse ones when the Si content was beyond 3.4 at.%. With an increase in the TMS flow, the hardness and Young's modulus of Corsican coatings all first increased, and then rapidly decreased, but the compressive stress in the coatings varied in the range of 2.8–4.8 GPa. When the TMS flow was 10 sccm, the CrSiCN coatings exhibited the highest hardness of 21.3 GPa and the lowest friction coefficient (0.11) and wear rate (8.4 × 10"−"8 mm"3/N m). But when the TMS flow was beyond 15 sccm, the tribological properties of CrSiCN coatings in water became poor.

Polymer-derived Ceramic SiCN-MoS2 Nanosheet Composite for Lithium Ion Battery Anodes

Science.gov (United States)

Bhandavat, Romil; Singh, Gurpreet

2012-02-01

We demonstrate synthesis of a novel SiCN-MoS2 nanosheet composite for use as Li-ion battery anode for high power applications. The nanosheet composite was prepared by thermal decomposition of polysilazane (SiCN precursor) on exfoliated MoS2 surfaces. The morphology and chemical structure was studied using a range of spectroscopy techniques that revealed a sidewall functionalization of exfoliated MoS2 by the polymeric precursor. The thermodynamic stability of SiCN-MoS2 nanosheets was also confirmed by thermo-gravimetric analysis (1000 degree C). Batteries assembled using MoS2-SiCN nanosheets as active anode material showed that lithium can be reversibly intercalated in the voltage range of 0-2.5 V with first cycle discharge capacity of 620 mAh/g at a current density of 100 mA/g.

Application of GIS-based SCS-CN method in West Bank catchments, Palestine

OpenAIRE

Sameer Shadeed; Mohammad Almasri

2010-01-01

Among the most basic challenges of hydrology are the prediction and quantification of catchment surface runoff. The runoff curve number (CN) is a key factor in determining runoff in the SCS (Soil Conservation Service) based hydrologic modeling method. The traditional SCS-CN method for calculating the composite curve number is very tedious and consumes a major portion of the hydrologic modeling time. Therefore, geographic information systems (GIS) are now being used in combination with the SCS...

Friction and wear of TiCN coatings deposited by filtered arc

International Nuclear Information System (INIS)

Huang, S.W.; Ng, K.; Samandi, M.

1998-01-01

A series of macroparticle-free TiN, TiCN and TiC coatings were deposited on 316 austenitic stainless steel using a titanium target in a filtered arc deposition system and reactive mixtures of CH4 and N2 gases. The microhardness of the coatings were measured by using an Ultra Microhardness Indentation System (UMIS-2000). The wear and friction of the coatings were assessed under controlled test conditions in a pin-on-disc tribometer. The results show a significant increase in microhardness and wear resistance as the CH4 :N2 gas flow rate ratio is increased. At lower load (14N), all coatings exhibited low friction and wear. At higher load (25N), the higher carbon content TiCN and TiC coatings showed a much lower friction and wear compared to TiN and low carbon TiCN. The topographical examination of coatings and worn surfaces established that the self-lubricating effect of the carbonaceous particles condensed from the plasma during the deposition was primarily responsible for the low friction and wear regime. (authors)

Growth feature of ionic nitrogen doped CN_x bilayer films with Ti and TiN interlayer by pulse cathode arc discharge

International Nuclear Information System (INIS)

Zhou, Bing; Liu, Zhubo; Piliptsou, D.G.; Rogachev, A.V.; Yu, Shengwang; Wu, Yanxia; Tang, Bin; Rudenkov, A.S.

2016-01-01

Graphical abstract: - Highlights: • Ti/ and TiN/CN_x (N"+) bilayers are prepared at various frequencies by pulse cathode arc. • Ti interlayer facilitates the introduction of N atoms into the CN_x (N"+) films. • The most N-sp"2C bonds (mainly graphite-like N) present in the TiN/CN_x (N"+, 3 Hz) film. • Ti/CN_x (N"+, 3 Hz) bilayer possesses small size and disordering of Csp"2 clusters. • The higher hardness and the lower stress presents in the TiN/CN_x (N"+, 10 Hz) bilayer. - Abstract: Using nano-scaled Ti and TiN as interlayer, ionic nitrogen doped carbon (CN_x (N"+)) bilayer films were prepared at various pulse frequencies by cathode arc technique. Elemental distribution at the interface, bonding compositions, microstructure, and mechanical properties of CN_x (N"+) bilayer films were investigated in dependence of interlayer and pulse frequency by Auger electron spectroscopy, X-ray photoelectron spectroscopy, Raman spectroscopy, nanoindentation, and surface profilometer. The results showed that the diffusion extent of C atoms at the interface of CN_x (N"+) bilayers is higher than for the α-C and CN_x (N_2) bilayers with the same interlayer. Nitrogen atoms could diffuse throughout the pre-deposited Ti and TiN layers into the Si substrate for all CN_x (N"+) bilayers. Ti interlayer facilitates the introduction of N atoms into the CN_x (N"+) films and exhibits a certain catalytic effect on the coordination of N atoms with sp"2- and sp"3-C binding. More nitrogenated and intense CN bonding configurations (mainly graphite-like N) form in the TiN/CN_x (N"+) bilayer. Ti/CN_x (N"+) bilayer prepared at low frequency possesses small size and disordering of Csp"2 clusters but TiN interlayer weakens the formation of Csp"2 bonding and increases the disordering of Csp"2 clusters in the films. The residual stress in the bilayer is lower than for CN_x (N"+) monolayer. The higher hardness and the lower residual stress are present in the TiN/CN_x (N"+, 10 Hz) bilayer.

CN emission spectroscopy study of carbon plasma in nitrogen environment

International Nuclear Information System (INIS)

Abdelli-Messaci, S.; Kerdja, T.; Bendib, A.; Malek, S.

2005-01-01

Spectroscopic emission diagnostics of a carbon plasma created by an excimer KrF laser pulse at three laser fluences (12, 25 and 32 J/cm 2 ) is performed under nitrogen ambient at pressures of 0.5 and 1 mbar. By following the time evolution of the radical CN spectral emission profiles, we notice, at a certain distance from the target surface, the existence of twin peaks for the time of flight distribution. This double structure depends on laser fluence and gas pressure parameters. The first peak moves forward in relation with the plasma expansion whereas the second peak moves backward and it is attributed to CN species undergoing oscillations or reflected shocks

Chemical and radiochemical control of the primary circuit of Atucha INPP (Nuclear Power Plant) since the start up in January 1990

International Nuclear Information System (INIS)

Ali, S.P; Baungartner, E.C.; Blesa, M.A.

1990-01-01

Since the start up of Atucha I Nuclear Power Plant in January 1990, an exhaustive chemical and radiochemical control of primary media was undertaken. The main objectives were the evaluation of the water condition after the long outage and the determination of activity measurements limitations to detect and localize fuel failures. Chemical and radiochemical techniques were critically proved. At the same time, a complete program of updating and optimization of those procedures was developed, including the revision of the analytical parameters, range of applicability and accuracy. A more adequate processing of data was adopted. They were compared with historical values corresponding to periods with and without fuel elements failures, used as references. The analysis of theoretical models of total gamma activity concentration and some specific radionuclides activity concentration evolution and their rates, and the comparison with experimental data obtained during normal operation including some failure events, generated tables of alarm criteria through a combination of parameters. Additionally, actions are suggested for different combination of parameters. Operative conditions that might interfere in the detection and localization of a failed fuel element are also pointed out. (Author)

Distribution of equilibrium burnup for an homogeneous core with fuel elements of slightly enriched uranium (0.85% U-235) at Atucha I nuclear power plant

International Nuclear Information System (INIS)

Sidelnik, J.I.; Perez, R.A.; Salom, G.F.

1987-01-01

At Atucha I, the present fuel management with natural uranium comprises three burnup areas and one irradiation path, sometimes performing four steps in the reactor core, according to the requirements. The discharge burnup is 6.0 Mw d/kg U for a waste reactivity of 6.5 m k and a heavy water purity of 99.75%. This is a preliminary study to obtain the distribution of equilibrium burnup of an homogeneous core with slightly enriched uranium (0.85% by weight U-235), using the time-averaged method implemented in the code PUMA and a representative model of one third of core and fixed rod position. It was found a strategy of three areas and two paths that agrees with the present limits of channel power and specific power in fuel rod. The discharge burnup obtained is 11.6 Mw d/kg U. This strategy is calculated with the same method and a full core representation model is used to verify the obtained results. (Author)

Permission of change of limits in the vapor generators of the Atucha I Nuclear Central

International Nuclear Information System (INIS)

Ventura, M.

2006-01-01

In the mark of the modification of the Atucha-I Nuclear Central Installation (CNA-I) as consequence of the Introduction of the System 'Second Drain of Heat' (SSC), the Entity Responsible for the CNA-I (NASA) requested authorization to the Nuclear Regulatory Authority (ARN) to modify the value of the minimum level of water in the secondary side in the Steam generators (GVs) to activate the signal 'shoot of the Cut of the Reactor' (RESA-LLV). As the level in the GVs is one of those parameters that are used to shoot the Emergency Feeding System (RX), component of the SSC System, also was analyzed the change in the activation of the shoot signal of the 'Second Drain of Heat' (2SSC-LLV). The ARN uses for the study of the nuclear safety of nuclear power plants, the series of prediction programs RELAP5/MOD3.X. It participates of the evaluation and maintenance activities of these codes through specific agreements with the U.S. Nuclear Regulatory Commission (US-NRC). It is necessary to account with programs of this type since the ARN it licenses the construction and operation of Nuclear Power Plants (NPPs) and other outstanding facilities and it inquires its operation according to its own standards. With these tools its are auditing the calculations that the Responsible Entities of the operation make to guarantee the operability of the NPPs assisting the mentioned standards. The analysis with computational codes is used as a tool to achieve the best understanding in the behavior of the plant in union with the engineering approach, the manual calculations, the data analysis and the experience in the operation of the machine. (Author)

Supramolecular architecture based on [Fe(CN)6]3- metallotectons and melaminium synthons

Science.gov (United States)

Krichen, Firas; Walha, Siwar; Lhoste, Jérôme; Bulou, Alain; Kabadou, Ahlem; Goutenoire, François

2017-10-01

Assembly involving [Fe(CN)6]3- metallotectons as building units and melaminium organic cation has been envisioned in order to elaborate a hybrid supramolecular based on ionic H-bonds with formula {(H-mel)4[Fe(CN)6]Cl} (H-mel+: melaminium cation). The compound has been prepared by diffusion method and characterized by single-crystal X-ray diffraction, EDX analysis, and Raman-IR spectroscopies with assignment from ab initio calculations. The melaminium exhibit self cationic coupling with cyclic hydrogen bonds to give a one dimensional {[H-mel]+}∝ synthon. Therefore, these cationic ribbons are inter-linked via hydrogen bonds by the anionic tectons [Fe(CN)6]3- and chlorine anion resulting on a 3D network. Molecular hirshfeld surfaces revealed that the crystal structure has been supported mainly by Nsbnd H⋯N and Nsbnd H⋯Cl intermolecular Hydrogen bonds and by favoured C⋯C and C⋯N weak interactions.

Feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify iron-cyanide (Fe-CN) complexes in soil

Science.gov (United States)

Sut-Lohmann, Magdalena; Raab, Thomas

2017-04-01

Contaminated sites create a significant risk to human health, by poisoning drinking water, soil, air and as a consequence food. Continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze considerable amount of samples. At the present time quantitative determination of Fe-CN concentration in soil usually requires a time consuming two step process: digestion of the sample (e.g., micro distillation system) and its analytical detection performed, e.g., by automated spectrophotometrical flow injection analysis (FIA). In order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS) to quantify the Fe-CN complexes in soil matrix, 42 soil samples were collected (8 to 12.520 mg kg-1CN) indicating single symmetrical CN band in the range 2092 - 2084 cm-1. Partial least squares (PLS) calibration-validation model revealed IR response to CNtot exceeding 1268 mg kg-1 (limit of detection, LOD). Subsequently, leave-one-out cross-validation (LOO-CV) was performed on soil samples containing low CNtot (900 mg kg-1 resulted in LOD equal to 3494 mg kg-1. Our results indicate that spectroscopic data in combination with PLS statistics can efficiently be used to predict Fe-CN concentrations in soil. We conclude that the protocol applied in this study can strongly reduce the time and costs essential for the spatial and vertical screening of the site affected by complexed Fe-CN.

Phonons and colossal thermal expansion behavior of Ag3Co(CN)6 and Ag3Fe(CN)6.

Science.gov (United States)

Mittal, R; Zbiri, M; Schober, H; Achary, S N; Tyagi, A K; Chaplot, S L

2012-12-19

Recently colossal volume thermal expansion has been observed in the framework compounds Ag(3)Co(CN)(6) and Ag(3)Fe(CN)(6). We have measured phonon spectra using neutron time-of-flight spectroscopy as a function of temperature and pressure. Ab initio calculations were carried out for the sake of analysis and interpretation. Bonding is found to be very similar in the two compounds. At ambient pressure, modes in the intermediate frequency part of the vibrational spectra in the Co compound are shifted slightly to higher energies as compared to the Fe compound. The temperature dependence of the phonon spectra gives evidence for a large explicit anharmonic contribution to the total anharmonicity for low-energy modes below 5 meV. We have found that modes are mainly affected by the change in size of the unit cell, which in turn changes the bond lengths and vibrational frequencies. Thermal expansion has been calculated via the volume dependence of phonon spectra. Our analysis indicates that Ag phonon modes within the energy range 2-5 meV are strongly anharmonic and major contributors to thermal expansion in both systems. The application of pressure hardens the low-energy part of the phonon spectra involving Ag vibrations and confirms the highly anharmonic nature of these modes.

Density functional study of electronic, magnetic and hyperfine properties of [M(CN)5 NO]2- (M=Fe, Ru) and reduction products

International Nuclear Information System (INIS)

Gomez, J.A.; Guenzburger, Diana

1999-06-01

The Discrete Variational method (DVM) in density functional theory was employed to investigate the electronic structure of the complexes [Fe(CN) 5 NO] 2- (Nitroprusside), [Fe(CN) 5 NO] 3- , [Fe(CN) 4 NO] 2- , [Ru(CN) 5 NO] 2- and [Ru(CN) 5 NO] 3- . Total energy calculations revealed that in pentacyano nitrosyl ferrate (I) and pentacyano nitrosyl ruthenate (I), which are paramagnetic ions containing one unpaired electron, the M-N-O angle is bent, having values of 152.5 deg and 144 deg, respectively. From self-consistent spin-polarized calculations, the distribution of unpaired electron in the paramagnetic complexes [Fe(CN) 5 NO] 3, [Fe(CN) 4 NO] 2- and [Ru(CN) 5 NO] 3- was obtained as well as spin-density maps. A long-standing controversy regarding the configuration of [Fe(CN) 5 NO] 3- was elucidated, and it was found that the unpaired electron in this complex is in an orbital primarily localized on π * (NO). Moessbauer quadrupole splittings on Fe and Ru were derived from calculations of the electric-field gradients. Magnetic hyperfine coupling constants on No of the NO ligand were also obtained for the paramagnetic complexes. (author)

Crystallization and preliminary crystallographic study of carnosinase CN2 from mice

Energy Technology Data Exchange (ETDEWEB)

Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami, E-mail: kusunoki@protein.osaka-u.ac.jp [Institute for Protein Research, Osaka University, 3-2 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2006-10-01

Mouse carnosinase was crystallized in complex with Zn{sup 2+} or Mn{sup 2+} and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn{sup 2+} or Zn{sup 2+}. Both crystals of CN2 belong to the monoclinic space group P2{sub 1} and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn{sup 2+} complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn{sup 2+} and Mn{sup 2+} complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method.

Crystallization and preliminary crystallographic study of carnosinase CN2 from mice

International Nuclear Information System (INIS)

Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami

2006-01-01

Mouse carnosinase was crystallized in complex with Zn 2+ or Mn 2+ and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn 2+ or Zn 2+ . Both crystals of CN2 belong to the monoclinic space group P2 1 and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn 2+ complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn 2+ and Mn 2+ complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method

SFG experiment and ab initio study of the chemisorption of CN - on low-index platinum surfaces

Science.gov (United States)

Tadjeddine, M.; Flament, J.-P.; Le Rille, A.; Tadjeddine, A.

2006-05-01

A dual analysis is proposed in order to have a better understanding of the adsorption of the cyanide ions on a platinum electrode. The SFG (Sum Frequency Generation) spectroscopy allows the in situ vibrational study and the SFG spectra of the CN - species adsorbed on single crystal Pt electrode allow a systematic study of the low-index platinum surfaces. This experimental work is supported by ab initio calculations using density functional theory and cluster models. For each surface orientation and each geometry, a cluster model of 20-30 Pt atoms has been built in order to interpret the chemisorption of the CN - ions through four kinds of adsorption geometry: on-top or bridge site, bonding via C or N atoms. Geometries have been optimized and adsorption energies, electronic properties and vibrational frequencies have been computed. From the electronic properties, we can propose an analysis of the bonding mechanism for each studied kind of adsorption. The SFG spectra of the CN -/Pt(1 1 1) system present an unique resonance owing to the top C adsorption. It is mainly the same for the CN -/Pt(1 0 0) system. It is also the case for the SFG spectra of the CN -/Pt(1 1 0) system recorded at negative electrochemical voltage; at more positive voltage, a second resonance appears at a lower frequency, owing to the top N adsorption. Experimental and theoretical values of the C-N stretching frequencies are in excellent agreement.

Estimating Composite Curve Number Using an Improved SCS-CN Method with Remotely Sensed Variables in Guangzhou, China

Directory of Open Access Journals (Sweden)

Qihao Weng

2013-03-01

Full Text Available The rainfall and runoff relationship becomes an intriguing issue as urbanization continues to evolve worldwide. In this paper, we developed a simulation model based on the soil conservation service curve number (SCS-CN method to analyze the rainfall-runoff relationship in Guangzhou, a rapid growing metropolitan area in southern China. The SCS-CN method was initially developed by the Natural Resources Conservation Service (NRCS of the United States Department of Agriculture (USDA, and is one of the most enduring methods for estimating direct runoff volume in ungauged catchments. In this model, the curve number (CN is a key variable which is usually obtained by the look-up table of TR-55. Due to the limitations of TR-55 in characterizing complex urban environments and in classifying land use/cover types, the SCS-CN model cannot provide more detailed runoff information. Thus, this paper develops a method to calculate CN by using remote sensing variables, including vegetation, impervious surface, and soil (V-I-S. The specific objectives of this paper are: (1 To extract the V-I-S fraction images using Linear Spectral Mixture Analysis; (2 To obtain composite CN by incorporating vegetation types, soil types, and V-I-S fraction images; and (3 To simulate direct runoff under the scenarios with precipitation of 57mm (occurred once every five years by average and 81mm (occurred once every ten years. Our experiment shows that the proposed method is easy to use and can derive composite CN effectively.

K4 Fe(CN)6 as a spectrophotometric agent for uranium analysis

International Nuclear Information System (INIS)

Soedyartomo; Tarwita.

1976-01-01

The properties of K 4 Fe(CN) 6 as a spectrophotometric agent for Uranium analysis was observed by putting some experiment into practice. The experiment covers the observation of expanding colour stability, the optimization of operating condition (p,H. and wavelength), the effect of K 4 Fe(CN) 6 concentration and the preparation of its standard curves (transmitansion vs uranium concentration) and the observation of the interfering metal spectra s (Cu ++ , Fe ++ ) either of its mixtures or themselves alone, has been carried out. The result and discussion on it are given. (author)

Wireless passive polymer-derived SiCN ceramic sensor with integrated resonator/antenna

Science.gov (United States)

Li, Yan; Yu, Yuxi; San, Haisheng; Wang, Yansong; An, Linan

2013-10-01

This paper presents a passive wireless polymer-derived silicon carbonitride (SiCN) ceramic sensor based on cavity radio frequency resonator together with integrated slot antenna. The effect of the cavity sensor dimensions on the Q-factor and resonant frequency is investigated by numerical simulation. A sensor with optimal dimensions is designed and fabricated. It is demonstrated that the sensor signal can be wirelessly detected at distances up to 20 mm. Given the high-temperature stability of the SiCN, the sensor is very promising for high-temperature wireless sensing applications.

Improvements related with the safety required by the Argentine Regulatory Authority to the Atucha I Nuclear Central; Mejoras relacionadas con la seguridad requeridas por la Autoridad Regulatoria Argentina a la Central Nuclear Atucha I

Energy Technology Data Exchange (ETDEWEB)

Calvo, J.; Michelin, C.; Navarro, R.; Waldman, R. [Autoridad Regulatoria Nuclear, Av. Del Libertador 8250, 1429- Ciudad de Buenos Aires (Argentina)]. e-mail: jcalvo@sede.arn.gov.ar

2006-07-01

The Argentinean Nuclear Regulation Authority (ARN) verified the existence of changes in the state of some internal components of the reactor of the Atucha I Nuclear Power station that, of continuing in the time, it could take to an inconvenient degradation for the safety operation of the installation. In consequence, to the effects of preventing that reach this situation, at the end of 1999, the ARN required to the Responsible Entity for the operation of this power station the implementation of an important improvements program in the internal components of the reactor. Additionally, and based on the results of the Probabilistic Safety analysis, it was added the one mentioned improvements program the implementation of an alternative cooling system of the reactor core denominated Second Drain of Heat, due to it was determined that, for some accidental sequences, their performance would reduce considerably the probability of damage to the core. The concretion of the improvements program implied to the Responsible Entity the realization of an important quantity of engineering studies, tests and specific inspections that allowed to carry out changes on the control bars of the reactor and its guide tubes; the coolant channels; the sensors of neutron flow; and diverse components of the primary and moderator systems. On the other hand also it was implemented the system Second Drain of Heat, what represents a considerable effort to make compatible the instrumentation and control of last generation, with the instrumentation and existent control systems in the power station. Also, it was requested to be carried out an integrity of the pressure recipient for to demonstrate the existence of an acceptable margin for the difference among the acceptable limit temperatures and of ductile/fragile transition of the material for all the possible accidental scenarios during the useful life of the reactor. (Author)

GIS Application in Atucha I Nuclear Power Plant Exercise Argentina, 2007

International Nuclear Information System (INIS)

Sadaniowski, I.V.; Telleria, D.M.; Jordan, O.D.; Boutet, L.I.; Kunst, J.J.; Bruno, H.A.; Hernandez, D.G.; Rodriguez, M.; Cateriano, M.A.; Rey, H.L.

2011-01-01

Geographic Information Systems (GIS) are tools applied to assist in the assessment and solution of many geographical related issues. Recently, their applications have been extended to the areas of disasters and environmental emergencies. GIS not only could be used as a diagnostic tool. Combined with adequate information and other tools capable to predict the transfer of pollutants in the environment and the associated impacts to the public, GIS could be used to support emergency planning and response. The Nuclear Regulatory Authority (NRA) of Argentina has incorporated in 2003 the GIS technology like an innovative resource for its preparation and response activities in emergencies. For this, the NRA acquired the necessary technology (hardware and software) and the technical specialist who were joined to expert's team in the nuclear and radiological emergencies field. The GIS stays operative as support tool in the Emergencies Control Center of NRA. In this paper, the use of GIS as a tool for analysis and advice is presented. The GIS is being used for preparation and development of nuclear emergencies trials and exercises, carried out on-site and off-site at the Nuclear Power Plant Atucha I Buenos Aires, Argentina, in cooperation with civil defense, national and state security and army forces and intensive public involvement. The databases were conformed with information from different sources, including the result of interviews to different actors, as well as other local and national government agencies and forces. Also, educational institutions, local medical centers, etc., were consulted. The information was enriched with outings to field in the surroundings of nuclear power plant. The scope and the detail of the information for this exercise covers 30 kilometers surroundings the nuclear power plant, with a range of significantly different geographical and population conditions. When loading the information in the GIS, a classification scheme is applied and

GIS application in Atucha I nuclear power plant exercise Argentina, 2007

International Nuclear Information System (INIS)

Sadaniowski, Ivana; Jordan, Osvaldo; Boutet, Luis; Kunst, Juan; Bruno, Hector; Hernandez, Daniel; Rodriguez, Monica; Cateriano, Miguel; Rey, Hugo; Telleria, Diego

2008-01-01

Full text: Geographic Information Systems (GIS) are tools applied to assist in the assessment and solution of many geographical related issues. Recently, their applications have been extended to the areas of disasters and environmental emergencies. GIS not only could be used as a diagnostic tool. Combined with adequate information and other tools capable to predict the transfer of pollutants in the environment and the associated impacts to the public, GIS could be used to support emergency planning and response. The Nuclear Regulatory Authority (NRA) of Argentina has incorporated in 2003 the GIS technology like an innovative resource for its preparation and response activities in emergencies. For this, the NRA acquired the necessary technology (hardware and software) and the technical specialist who were joined to expert's team in the nuclear and radiological emergencies field. The GIS stays operative as support tool in the Emergencies Control Center of NRA. In this paper, the use of GIS as a tool for analysis and advice is presented. The GIS is being used for preparation and development of nuclear emergencies trials and exercises, carried out on-site and off-site at the Nuclear Power Plant Atucha I Buenos Aires, Argentina, in cooperation with civil defense, national and state security and army forces and intensive public involvement. The databases were conformed with information from different sources, including the result of interviews to different actors, as well as other local and national government agencies and forces. Also, educational institutions, local medical centers, etc., were consulted. The information was enriched with outings to field in the surroundings of nuclear power plant. The scope and the detail of the information for this exercise covers 30 kilometers surroundings the nuclear power plant, with a range of significantly different geographical and population conditions. When loading the information in the GIS, a classification scheme is applied

Selective hydrogenation of phenol to cyclohexanone over Pd@CN (N-doped porous carbon): Role of catalyst reduction method

Science.gov (United States)

Hu, Shuo; Yang, Guangxin; Jiang, Hong; Liu, Yefei; Chen, Rizhi

2018-03-01

Selective phenol hydrogenation is a green and sustainable technology to produce cyclohexanone. The work focused on investigating the role of catalyst reduction method in the liquid-phase phenol hydrogenation to cyclohexanone over Pd@CN (N-doped porous carbon). A series of reduction methods including flowing hydrogen reduction, in-situ reaction reduction and liquid-phase reduction were designed and performed. The results highlighted that the reduction method significantly affected the catalytic performance of Pd@CN in the liquid-phase hydrogenation of phenol to cyclohexanone, and the liquid-phase reduction with the addition of appropriate amount of phenol was highly efficient to improve the catalytic activity of Pd@CN. The influence mechanism was explored by a series of characterizations. The results of TEM, XPS and CO chemisorption confirmed that the reduction method mainly affected the size, surface composition and dispersion of Pd in the CN material. The addition of phenol during the liquid-phase reduction could inhibit the aggregation of Pd NPs and promote the reduction of Pd (2+), and then improved the catalytic activity of Pd@CN. The work would aid the development of high-performance Pd@CN catalysts for selective phenol hydrogenation.

Co-composting of green waste and food waste at low C/N ratio

International Nuclear Information System (INIS)

Kumar, Mathava; Ou, Y.-L.; Lin, J.-G.

2010-01-01

In this study, co-composting of food waste and green waste at low initial carbon to nitrogen (C/N) ratios was investigated using an in-vessel lab-scale composting reactor. The central composite design (CCD) and response surface method (RSM) were applied to obtain the optimal operating conditions over a range of preselected moisture contents (45-75%) and C/N ratios (13.9-19.6). The results indicate that the optimal moisture content for co-composting of food waste and green waste is 60%, and the substrate at a C/N ratio of 19.6 can be decomposed effectively to reduce 33% of total volatile solids (TVS) in 12 days. The TVS reduction can be modeled by using a second-order equation with a good fit. In addition, the compost passes the standard germination index of white radish seed indicating that it can be used as soil amendment.

Gold nano-particle formation from crystalline AuCN: Comparison of thermal, plasma- and ion-beam activated decomposition

Energy Technology Data Exchange (ETDEWEB)

Beck, Mihály T.; Bertóti, Imre, E-mail: bertoti.imre@ttk.mta.hu; Mohai, Miklós; Németh, Péter; Jakab, Emma; Szabó, László; Szépvölgyi, János

2017-02-15

In this work, in addition to the conventional thermal process, two non-conventional ways, the plasma and ion beam activations are described for preparing gold nanoparticles from microcrystalline AuCN precursor. The phase formation at plasma and ion beam treatments was compared with that at thermal treatments and the products and transformations were characterized by thermogravimetry-mass-spectrometry (TG-MS), X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). TG-MS measurements in Ar atmosphere revealed that AuCN decomposition starts at 400 °C and completes at ≈700 °C with evolution of gaseous (CN){sub 2}. XPS and TEM show that in heat treatment at 450 °C for 1 h in Ar, loss of nitrogen and carbon occurs and small, 5–30 nm gold particles forms. Heating at 450 °C for 10 h in sealed ampoule, much larger, 60–200 nm size and well faceted Au particles develop together with a fibrous (CN){sub n} polymer phase, and the Au crystallites are covered by a 3–5 nm thick polymer shell. Low pressure Ar plasma treatment at 300 eV energy results in 4–20 nm size Au particles and removes most of the nitrogen and part of carbon. During Ar{sup +} ion bombardment with 2500 eV energy, 5–30 nm size Au crystallites form already in 10 min, with preferential loss of nitrogen and with increased amount of carbon residue. The results suggest that plasma and ion beam activation, acting similarly to thermal treatment, may be used to prepare Au nanoparticles from AuCN on selected surface areas either by depositing AuCN precursors on selected regions or by focusing the applied ionized radiation. Thus they may offer alternative ways for preparing tailor-made catalysts, electronic devices and sensors for different applications. - Graphical abstract: Proposed scheme of the decomposition mechanism of AuCN samples: heat treatment in Ar flow (a) and in sealed ampoule (b); Ar{sup +} ion treatment at 300 eV (c) and at 2500 eV (d). Cross section sketches

Manufacturing at industrial level of UO2 pellets for the fuel elements of the Atucha I Nuclear Power Plant

International Nuclear Information System (INIS)

Dyment, I.G.; Noguera Rojas, Francisco

1982-01-01

The interest to produce fuel elements within a policy of self sufficiency arose with the installation of Atucha I. The first steps towards this goal consisted in processing the uranium oxide, transforming it into fuel pellets of high density. The developments towards the fabrication of said pellets, performed by CNEA since 1968, first at a laboratory level and afterwards on an industrial scale, allowed CNEA to obtain its own technological capability to produce 400 kg of UO 2 per day. The fuel pellets manufacturing method developed by CNEA is a powder-metallurgical process, which, besides conventional equipment, involves the use of special equipment that required the performance of systematic testing programmes, as well as special training at operational level. The developed processes respond to a modern and advanced technology. A general scheme of the process, starting with a directly sinterable UO 2 powder, is described, including compacting of the powder into pellets, sintering, control of the temperature in the sintering and reduction zones and of the time of permanence in both zones, and cylindric rectifying of the pellets. During the whole process, specialized personnel controls the operations, after which the material is released by the Quality Control Department. The national contribution to the manufacturing technology of the pellets for fuel elements of power and research reactors was of 100%. (M.E.L.) [es

A Survey of CH3CN and HC3N in Protoplanetary Disks

Science.gov (United States)

Bergner, Jennifer B.; Guzmán, Viviana G.; Öberg, Karin I.; Loomis, Ryan A.; Pegues, Jamila

2018-04-01

The organic content of protoplanetary disks sets the initial compositions of planets and comets, thereby influencing subsequent chemistry that is possible in nascent planetary systems. We present observations of the complex nitrile-bearing species CH3CN and HC3N toward the disks around the T Tauri stars AS 209, IM Lup, LkCa 15, and V4046 Sgr as well as the Herbig Ae stars MWC 480 and HD 163296. HC3N is detected toward all disks except IM Lup, and CH3CN is detected toward V4046 Sgr, MWC 480, and HD 163296. Rotational temperatures derived for disks with multiple detected lines range from 29 to 73 K, indicating emission from the temperate molecular layer of the disk. V4046 Sgr and MWC 480 radial abundance profiles are constrained using a parametric model; the gas-phase CH3CN and HC3N abundances with respect to HCN are a few to tens of percent in the inner 100 au of the disk, signifying a rich nitrile chemistry at planet- and comet-forming disk radii. We find consistent relative abundances of CH3CN, HC3N, and HCN between our disk sample, protostellar envelopes, and solar system comets; this is suggestive of a robust nitrile chemistry with similar outcomes under a wide range of physical conditions.

Regional Calibration of SCS-CN L-THIA Model: Application for Ungauged Basins

Directory of Open Access Journals (Sweden)

Ji-Hong Jeon

2014-05-01

Full Text Available Estimating surface runoff for ungauged watershed is an important issue. The Soil Conservation Service Curve Number (SCS-CN method developed from long-term experimental data is widely used to estimate surface runoff from gaged or ungauged watersheds. Many modelers have used the documented SCS-CN parameters without calibration, sometimes resulting in significant errors in estimating surface runoff. Several methods for regionalization of SCS-CN parameters were evaluated. The regionalization methods include: (1 average; (2 land use area weighted average; (3 hydrologic soil group area weighted average; (4 area combined land use and hydrologic soil group weighted average; (5 spatial nearest neighbor; (6 inverse distance weighted average; and (7 global calibration method, and model performance for each method was evaluated with application to 14 watersheds located in Indiana. Eight watersheds were used for calibration and six watersheds for validation. For the validation results, the spatial nearest neighbor method provided the highest average Nash-Sutcliffe (NS value at 0.58 for six watersheds but it included the lowest NS value and variance of NS values of this method was the highest. The global calibration method provided the second highest average NS value at 0.56 with low variation of NS values. Although the spatial nearest neighbor method provided the highest average NS value, this method was not statistically different than other methods. However, the global calibration method was significantly different than other methods except the spatial nearest neighbor method. Therefore, we conclude that the global calibration method is appropriate to regionalize SCS-CN parameters for ungauged watersheds.

Validity and extension of the SCS-CN method for computing infiltration and rainfall-excess rates

Science.gov (United States)

Mishra, Surendra Kumar; Singh, Vijay P.

2004-12-01

A criterion is developed for determining the validity of the Soil Conservation Service curve number (SCS-CN) method. According to this criterion, the existing SCS-CN method is found to be applicable when the potential maximum retention, S, is less than or equal to twice the total rainfall amount. The criterion is tested using published data of two watersheds. Separating the steady infiltration from capillary infiltration, the method is extended for predicting infiltration and rainfall-excess rates. The extended SCS-CN method is tested using 55 sets of laboratory infiltration data on soils varying from Plainfield sand to Yolo light clay, and the computed and observed infiltration and rainfall-excess rates are found to be in good agreement.

Main pumps lost incident in the nuclear power plant Atucha I. Modelling with RELAP5/MOD3.2

International Nuclear Information System (INIS)

Ventura, M.A.; Rosso, R.D.

1998-01-01

Time evolution of natural circulation in the nuclear power plant Atucha I (CNA-I), in a main pumps lost incident because of the lost of external power feed, is analyzed. It leads to a strong stop transient, without an important blow down, from a forced nominal flow to a natural circulation one. The results are obtained from RELAP5/MOD3.2 code's modeling. The study is based on the refrigeration conditions analysis, during the first minutes of the reactor out of service. Previously to the transient, work had been done to obtain the plant steady state, with design parameters in operation conditions at 100 % of power. The object is that the actual plant state would be represented. In this way, each plant part (steam generators, reactor, pressurizer, pumps) had been modeled in separated form with the appropriate boundary conditions, to be used in the whole circuit simulation. The developed model, had been validated making use of the comparison between the values obtained to the principal thermodynamic parameters with the plant recorded values, in the same incident. The results are satisfactory in a way. On the other hand, it has suggested some modeling changes. The RELAP5/MOD3.2 capability to model the thermodynamic phenomena in a PHWR plant has been verified when, according to the mentioned incident, the flow pass from a nominal forced flow, to one which is governed by natural circulation, still with the CNA-I untypical design conditions. (author) [es

Antibacterial activity and cell compatibility of TiZrN, TiZrCN, and TiZr-amorphous carbon coatings

Energy Technology Data Exchange (ETDEWEB)

Huang, Heng-Li [School of Dentistry, China Medical University, Taichung 404, Taiwan (China); Department of Bioinformatics and Medical Engineering, Asia University, Taichung 41354, Taiwan (China); Chang, Yin-Yu, E-mail: yinyu@nfu.edu.tw [Department of Mechanical and Computer-aided Engineering, National Formosa University, Yunlin 632, Taiwan (China); Liu, Jia-Xu [Department of Mechanical and Computer-aided Engineering, National Formosa University, Yunlin 632, Taiwan (China); Tsai, Ming-Tzu [Department of Biomedical Engineering, Hungkuang University, Taichung 433, Taiwan (China); Lai, Chih-Ho [Department of Microbiology and Immunology, Graduate Institute of Biomedical Sciences, Chang Gung University, Taoyuan, Taiwan (China)

2015-12-01

A cathodic-arc evaporation system with plasma-enhanced duct equipment was used to deposit TiZrN, TiZrCN, and TiZr/a-C coatings. Reactive gases (N{sub 2} and C{sub 2}H{sub 2}) activated by the Ti and Zr plasma in the evaporation process was used to deposit the TiZrCN and TiZr/a-C coatings with different C and nitrogen contents. The crystalline structures and bonding states of coatings were analyzed by X-ray diffraction and X-ray photoelectron spectroscopy. The microbial activity of the coatings was evaluated against Staphylococcus aureus (Gram-positive bacteria) and Actinobacillus actinomycetemcomitans (Gram-negative bacteria) by in vitro antibacterial analysis using a fluorescence staining method employing SYTO9 and a bacterial-viability test on an agar plate. The cell compatibility and morphology related to CCD-966SK cell-line human skin fibroblast cells on the coated samples were also determined using the 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide assay, reverse-transcriptase-polymerase chain reaction, and scanning electron microscopy. The results suggest that the TiZrCN coatings not only possess better antibacterial performance than TiZrN and TiZr/a-C coatings but also maintain good compatibility with human skin fibroblast cells. - Highlights: • TiZrN, TiZrCN, and TiZr/a-C coatings were deposited using cathodic arc evaporation. • The TiZrCN showed a composite structure containing TiN, ZrN, and a-C. • The TiZrCN-coated Ti showed the least hydrophobicity among the samples. • The TiZrCN-coated Ti showed good human skin fibroblast cell viability. • The TiZrCN-coated Ti exhibited good antibacterial performance.

Improvement of the Surface Hardness of Stainless Steel with the TitaniumCarbonitride Ti(CN) Thin Films

International Nuclear Information System (INIS)

Agus-Purwadi; Tri-Mardji Atmono; Widdi-Usada; Lely-Susita; Yunanto

2000-01-01

Fabrication of the T i (CN) thin films with methods of implantation and RFsputtering for improving the surfaces hardness of stainless steel (SS) hasbeen done. Some kinds of T i C thin films which made individually by varyingof RF sputtering power from 0 up to 160 watt are implanted by the nitrogenion beams on the doses and energy ion optimum of 6.107 x 10 17 ion/cm 2 and100 keV, also fabrication of T i (CN) thin films use RF sputtering method withT i target and reaction gases as argon, silene and nitrogen on the optimum ofsputtering parameter condition. The thin films yields are characterized byusing Microhardness Tester MX 170, obtained SS hardness which layered T i (CN)as 402.5 KHN from its initial of 215.54 KHN and 371.74 KHN (layered T i C), itmeans that the SS surface hardness improve 1.867 times cumulatively. From theX-Ray Diffraction (XRD) analysis yield showed that the microstructure ofT i (CN) films on the SS substrates are dominated by characteristic cubiccrystal structure with Miller plane orientation (111) on the scattering angleof 2 θ = 44 o . Morphology visualization of T i (CN) thin films crosssection on the SS substrate is realized by Spectroscopy Electron Microscope(SEM). (author)

Heterobimetallic [NiFe] Complexes Containing Mixed CO/CN- Ligands: Analogs of the Active Site of the [NiFe] Hydrogenases.

Science.gov (United States)

Perotto, Carlo U; Sodipo, Charlene L; Jones, Graham J; Tidey, Jeremiah P; Blake, Alexander J; Lewis, William; Davies, E Stephen; McMaster, Jonathan; Schröder, Martin

2018-03-05

The development of synthetic analogs of the active sites of [NiFe] hydrogenases remains challenging, and, in spite of the number of complexes featuring a [NiFe] center, those featuring CO and CN - ligands at the Fe center are under-represented. We report herein the synthesis of three bimetallic [NiFe] complexes [Ni( N 2 S 2 )Fe(CO) 2 (CN) 2 ], [Ni( S 4 )Fe(CO) 2 (CN) 2 ], and [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] that each contain a Ni center that bridges through two thiolato S donors to a {Fe(CO) 2 (CN) 2 } unit. X-ray crystallographic studies on [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ], supported by DFT calculations, are consistent with a solid-state structure containing distinct molecules in the singlet ( S = 0) and triplet ( S = 1) states. Each cluster exhibits irreversible reduction processes between -1.45 and -1.67 V vs Fc + /Fc and [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] possesses a reversible oxidation process at 0.17 V vs Fc + /Fc. Spectroelectrochemical infrared (IR) and electron paramagnetic resonance (EPR) studies, supported by density functional theory (DFT) calculations, are consistent with a Ni III Fe II formulation for [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] + . The singly occupied molecular orbital (SOMO) in [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] + is based on Ni 3d z 2 and 3p S with the S contributions deriving principally from the apical S-donor. The nature of the SOMO corresponds to that proposed for the Ni-C state of the [NiFe] hydrogenases for which a Ni III Fe II formulation has also been proposed. A comparison of the experimental structures, and the electrochemical and spectroscopic properties of [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] and its [Ni( N 2 S 3 )] precursor, together with calculations on the oxidized [Ni( N 2 S 3 )Fe(CO) 2 (CN) 2 ] + and [Ni( N 2 S 3 )] + forms suggests that the binding of the {Fe(CO)(CN) 2 } unit to the {Ni(CysS) 4 } center at the active site of the [NiFe] hydrogenases suppresses thiolate-based oxidative chemistry involving the bridging thiolate S donors

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

Science.gov (United States)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

2017-10-01

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN

Characterization of thick and thin film SiCN for pressure sensing at high temperatures.

Science.gov (United States)

Leo, Alfin; Andronenko, Sergey; Stiharu, Ion; Bhat, Rama B

2010-01-01

Pressure measurement in high temperature environments is important in many applications to provide valuable information for performance studies. Information on pressure patterns is highly desirable for improving performance, condition monitoring and accurate prediction of the remaining life of systems that operate in extremely high temperature environments, such as gas turbine engines. A number of technologies have been recently investigated, however these technologies target specific applications and they are limited by the maximum operating temperature. Thick and thin films of SiCN can withstand high temperatures. SiCN is a polymer-derived ceramic with liquid phase polymer as its starting material. This provides the advantage that it can be molded to any shape. CERASET™ also yields itself for photolithography, with the addition of photo initiator 2, 2-Dimethoxy-2-phenyl-acetophenone (DMPA), thereby enabling photolithographical patterning of the pre-ceramic polymer using UV lithography. SiCN fabrication includes thermosetting, crosslinking and pyrolysis. The technology is still under investigation for stability and improved performance. This work presents the preparation of SiCN films to be used as the body of a sensor for pressure measurements in high temperature environments. The sensor employs the phenomenon of drag effect. The pressure sensor consists of a slender sensitive element and a thick blocking element. The dimensions and thickness of the films depend on the intended application of the sensors. Fabrication methods of SiCN ceramics both as thin (about 40-60 μm) and thick (about 2-3 mm) films for high temperature applications are discussed. In addition, the influence of thermosetting and annealing processes on mechanical properties is investigated.

Characterization of Thick and Thin Film SiCN for Pressure Sensing at High Temperatures

Directory of Open Access Journals (Sweden)

Rama B. Bhat

2010-02-01

Full Text Available Pressure measurement in high temperature environments is important in many applications to provide valuable information for performance studies. Information on pressure patterns is highly desirable for improving performance, condition monitoring and accurate prediction of the remaining life of systems that operate in extremely high temperature environments, such as gas turbine engines. A number of technologies have been recently investigated, however these technologies target specific applications and they are limited by the maximum operating temperature. Thick and thin films of SiCN can withstand high temperatures. SiCN is a polymer-derived ceramic with liquid phase polymer as its starting material. This provides the advantage that it can be molded to any shape. CERASET™ also yields itself for photolithography, with the addition of photo initiator 2, 2-Dimethoxy-2-phenyl-acetophenone (DMPA, thereby enabling photolithographical patterning of the pre-ceramic polymer using UV lithography. SiCN fabrication includes thermosetting, crosslinking and pyrolysis. The technology is still under investigation for stability and improved performance. This work presents the preparation of SiCN films to be used as the body of a sensor for pressure measurements in high temperature environments. The sensor employs the phenomenon of drag effect. The pressure sensor consists of a slender sensitive element and a thick blocking element. The dimensions and thickness of the films depend on the intended application of the sensors. Fabrication methods of SiCN ceramics both as thin (about 40–60 µm and thick (about 2–3 mm films for high temperature applications are discussed. In addition, the influence of thermosetting and annealing processes on mechanical properties is investigated.

Cloning, Expression Profiling and Functional Analysis of CnHMGS, a Gene Encoding 3-hydroxy-3-Methylglutaryl Coenzyme A Synthase from Chamaemelum nobile

Directory of Open Access Journals (Sweden)

Shuiyuan Cheng

2016-03-01

Full Text Available Roman chamomile (Chamaemelum nobile L. is renowned for its production of essential oils, which major components are sesquiterpenoids. As the important enzyme in the sesquiterpenoid biosynthesis pathway, 3-hydroxy-3-methylglutaryl coenzyme A synthase (HMGS catalyze the crucial step in the mevalonate pathway in plants. To isolate and identify the functional genes involved in the sesquiterpene biosynthesis of C. nobile L., a HMGS gene designated as CnHMGS (GenBank Accession No. KU529969 was cloned from C. nobile. The cDNA sequence of CnHMGS contained a 1377 bp open reading frame encoding a 458-amino-acid protein. The sequence of the CnHMGS protein was highly homologous to those of HMGS proteins from other plant species. Phylogenetic tree analysis revealed that CnHMGS clustered with the HMGS of Asteraceae in the dicotyledon clade. Further functional complementation of CnHMGS in the mutant yeast strain YSC6274 lacking HMGS activity demonstrated that the cloned CnHMGS cDNA encodes a functional HMGS. Transcript profile analysis indicated that CnHMGS was preferentially expressed in flowers and roots of C. nobile. The expression of CnHMGS could be upregulated by exogenous elicitors, including methyl jasmonate and salicylic acid, suggesting that CnHMGS was elicitor-responsive. The characterization and expression analysis of CnHMGS is helpful to understand the biosynthesis of sesquiterpenoid in C. nobile at the molecular level and also provides molecular wealth for the biotechnological improvement of this important medicinal plant.

Cloning, Expression Profiling and Functional Analysis of CnHMGS, a Gene Encoding 3-hydroxy-3-Methylglutaryl Coenzyme A Synthase from Chamaemelum nobile.

Science.gov (United States)

Cheng, Shuiyuan; Wang, Xiaohui; Xu, Feng; Chen, Qiangwen; Tao, Tingting; Lei, Jing; Zhang, Weiwei; Liao, Yongling; Chang, Jie; Li, Xingxiang

2016-03-08

Roman chamomile (Chamaemelum nobile L.) is renowned for its production of essential oils, which major components are sesquiterpenoids. As the important enzyme in the sesquiterpenoid biosynthesis pathway, 3-hydroxy-3-methylglutaryl coenzyme A synthase (HMGS) catalyze the crucial step in the mevalonate pathway in plants. To isolate and identify the functional genes involved in the sesquiterpene biosynthesis of C. nobile L., a HMGS gene designated as CnHMGS (GenBank Accession No. KU529969) was cloned from C. nobile. The cDNA sequence of CnHMGS contained a 1377 bp open reading frame encoding a 458-amino-acid protein. The sequence of the CnHMGS protein was highly homologous to those of HMGS proteins from other plant species. Phylogenetic tree analysis revealed that CnHMGS clustered with the HMGS of Asteraceae in the dicotyledon clade. Further functional complementation of CnHMGS in the mutant yeast strain YSC6274 lacking HMGS activity demonstrated that the cloned CnHMGS cDNA encodes a functional HMGS. Transcript profile analysis indicated that CnHMGS was preferentially expressed in flowers and roots of C. nobile. The expression of CnHMGS could be upregulated by exogenous elicitors, including methyl jasmonate and salicylic acid, suggesting that CnHMGS was elicitor-responsive. The characterization and expression analysis of CnHMGS is helpful to understand the biosynthesis of sesquiterpenoid in C. nobile at the molecular level and also provides molecular wealth for the biotechnological improvement of this important medicinal plant.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

Science.gov (United States)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN �

Methodology and Software for Gross Defect Detection of Spent Nuclear Fuel at the Atucha-I Reactor

Energy Technology Data Exchange (ETDEWEB)

Sitaraman, Shivakumar; Ham, Young S.; Gharibyan, Narek [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94550 (United States); Peixoto, Orpet J.M. [Brazilian-Argentine Agency for Accounting and Control of Nuclear Materials, Avenida Rio Branco, 123/Grupo 515- Centro, CEP: 20040-005, Rio de Janeiro (Brazil); Diaz, Gustavo [National Regulatory Authority - Argentina, Av. Del Libertador 8250, (1429) Buenos Aires (Argentina)

2015-07-01

At the Atucha-I pressurized heavy water reactor in Argentina, fuel assemblies in the spent fuel pools are stored by suspending them in two vertically stacked layers. This introduces the unique problem of verifying the presence of fuel in either layer without physically moving the fuel assemblies. Since much of the fuel is very old, Cerenkov viewing devices are often not very useful even for the top layer. Given that the facility uses both natural uranium and slightly enriched uranium at 0.85 w% {sup 235}U, and has been in operation since 1974, a wide range of burnups and cooling times can exist in any given pool. A spent fuel neutron counting tool consisting of a fission chamber, SFNC, has been used at the site to verify the presence of fuel up to burnups of 8000 MWd/t. At higher discharge burnups to levels up 11,000 MWd/t, the existing signal processing software of the tool was found to fail due to non-linearity of the source term with burnup. A new Graphical User Interface software package based on the LabVIEW platform was developed to predict expected neutron signals covering all ranges of burnups and cooling times and establish maps of expected signals at various pool locations. The algorithm employed in the software uses a set of transfer functions in a 47-energy group structure which are coupled with a 47-energy group neutron source spectrum based on various cooling times and burnups for each of the two enrichment levels. The database of the software consists of these transfer functions for the three different inter-assembly pitches that the fuel is stored in at the site. The transfer functions were developed for a 6 by 6 matrix of fuel assemblies with the detector placed at the center surrounded by four near neighbors, eight next nearest neighbors and so on for the 36 assemblies. These calculations were performed using Monte Carlo radiation transport methods. The basic methodology consisted of starting sources in each of the assemblies and tallying the

Magnetic structure of molecular magnet Fe[Fe(CN) 6

Indian Academy of Sciences (India)

We have studied the magnetic structure of Fe[Fe(CN)6]·4H2O, prepared by precipitation method, using neutron diffraction technique. Temperature dependent DC magnetization study down to 4.2 K shows that the compound undergoes from a high temperature disordered (paramagnetic) to an ordered magnetic phase ...

Desarrollo de proveedores para la industria nuclear argentina Visión desde las Centrales Nucleares

Directory of Open Access Journals (Sweden)

DOMINGO QUILICI

2013-06-01

Full Text Available Frente al inicio de una nueva etapa en la instalación de capacidad núcleo eléctrica en el país, se recorrerá la historia del desarrollo de la industria nuclear nacional (1964-1986 en búsqueda de antecedentes útiles para esta nueva realidad. Partiendo de la intención de dar repuesta a las preguntas: ¿Por qué se decidió tan tempranamente construir una central nuclear (en adelante CN; ¿por qué se decidió comprarla con una modalidad particular de los contratos “llave en mano”, en vez del desarrollo de una versión “criolla”? Y cuál fue el significado de la apertura del “paquete tecnológico” en aquel momento; se indagará sobre los antecedentes del desarrollo de proveedores para la industria nuclear en la Argentina. Se describirán las acciones que llevaron a la compra de las centrales de Atucha I, Embalse y Atucha II y como a partir de esas decisiones se implementaron políticas para maximizar la participación nacional en la construcción de las mismas y para la transferencia de tecnología del exterior hacia la industria local. Se analizará el Plan Nuclear puesto en vigencia a fines de los años setenta, desde el punto de vista de su influencia sobre el desarrollo tecnológico endógeno. Abstract The history of the development of national nuclear industry (1964-1986 will be reviewed in the search of useful patterns for the present new phase in the installation of nucleo-electric capacity in the country Precedents of development of suppliers for the argentinean nuclear industry will be considered, taking as starting point the following questions: Why the early decision of constructing a Nuclear Power Plant was taken? Why was it decided to buy it under a peculiar version of a turnkey contract instead of developing a “native” design? What were the implications of opening “technological packages” at that time? Actions leading to the construction of Atucha I, Embalse and Atucha II stations will be described, as well

New Insights into Understanding Irreversible and Reversible Lithium Storage within SiOC and SiCN Ceramics.

Science.gov (United States)

Graczyk-Zajac, Magdalena; Reinold, Lukas Mirko; Kaspar, Jan; Sasikumar, Pradeep Vallachira Warriam; Soraru, Gian-Domenico; Riedel, Ralf

2015-02-24

Within this work we define structural properties of the silicon carbonitride (SiCN) and silicon oxycarbide (SiOC) ceramics which determine the reversible and irreversible lithium storage capacities, long cycling stability and define the major differences in the lithium storage in SiCN and SiOC. For both ceramics, we correlate the first cycle lithiation or delithiation capacity and cycling stability with the amount of SiCN/SiOC matrix or free carbon phase, respectively. The first cycle lithiation and delithiation capacities of SiOC materials do not depend on the amount of free carbon, while for SiCN the capacity increases with the amount of carbon to reach a threshold value at ~50% of carbon phase. Replacing oxygen with nitrogen renders the mixed bond Si-tetrahedra unable to sequester lithium. Lithium is more attracted by oxygen in the SiOC network due to the more ionic character of Si-O bonds. This brings about very high initial lithiation capacities, even at low carbon content. If oxygen is replaced by nitrogen, the ceramic network becomes less attractive for lithium ions due to the more covalent character of Si-N bonds and lower electron density on the nitrogen atom. This explains the significant difference in electrochemical behavior which is observed for carbon-poor SiCN and SiOC materials.

New Insights into Understanding Irreversible and Reversible Lithium Storage within SiOC and SiCN Ceramics

Directory of Open Access Journals (Sweden)

Magdalena Graczyk-Zajac

2015-02-01

Full Text Available Within this work we define structural properties of the silicon carbonitride (SiCN and silicon oxycarbide (SiOC ceramics which determine the reversible and irreversible lithium storage capacities, long cycling stability and define the major differences in the lithium storage in SiCN and SiOC. For both ceramics, we correlate the first cycle lithiation or delithiation capacity and cycling stability with the amount of SiCN/SiOC matrix or free carbon phase, respectively. The first cycle lithiation and delithiation capacities of SiOC materials do not depend on the amount of free carbon, while for SiCN the capacity increases with the amount of carbon to reach a threshold value at ~50% of carbon phase. Replacing oxygen with nitrogen renders the mixed bond Si-tetrahedra unable to sequester lithium. Lithium is more attracted by oxygen in the SiOC network due to the more ionic character of Si-O bonds. This brings about very high initial lithiation capacities, even at low carbon content. If oxygen is replaced by nitrogen, the ceramic network becomes less attractive for lithium ions due to the more covalent character of Si-N bonds and lower electron density on the nitrogen atom. This explains the significant difference in electrochemical behavior which is observed for carbon-poor SiCN and SiOC materials.

In situ measurements of HCN and CH3CN over the Pacific Ocean: Sources, sinks, and budgets

Science.gov (United States)

Singh, H. B.; Salas, L.; Herlth, D.; Kolyer, R.; Czech, E.; Viezee, W.; Li, Q.; Jacob, D. J.; Blake, D.; Sachse, G.; Harward, C. N.; Fuelberg, H.; Kiley, C. M.; Zhao, Y.; Kondo, Y.

2003-10-01

We report the first in situ measurements of hydrogen cyanide (HCN) and methyl cyanide (CH3CN, acetonitrile) from the Pacific troposphere (0-12 km) obtained during the NASA Transport and Chemical Evolution over the Pacific (TRACE-P) airborne mission (February-April 2001). Mean HCN and CH3CN mixing ratios of 243 ± 118 (median 218) ppt and 149 ± 56 (median 138) ppt, respectively, were measured. These in situ observations correspond to a mean tropospheric HCN column of 4.2 × 1015 molecules cm-2 and a CH3CN column of 2.5 × 1015 molecules cm-2. This is in good agreement with the 0-12 km HCN column of 4.4 (±0.6) × 1015 molecules cm-2 derived from infrared solar spectroscopic observations over Japan. Mixing ratios of HCN and CH3CN were greatly enhanced in pollution outflow from Asia and were well correlated with each other as well as with known tracers of biomass combustion (e.g., CH3Cl, CO). Volumetric enhancement (or emission) ratios (ERs) relative to CO in free tropospheric plumes, likely originating from fires, were 0.34% for HCN and 0.17% for CH3CN. ERs with respect to CH3Cl and CO in selected biomass burning (BB) plumes in the free troposphere and in boundary layer pollution episodes are used to estimate a global BB source of 0.8 ± 0.4 Tg (N) yr-1 for HCN and 0.4 ± 0.1 Tg (N) yr-1 for CH3CN. In comparison, emissions from industry and fossil fuel combustion are quite small (atmospheric residence time of 5.0 months for HCN and 6.6 months for CH3CN is calculated. A global budget analysis shows that the sources and sinks of HCN and CH3CN are roughly in balance but large uncertainties remain in part due to a lack of observational data from the atmosphere and the oceans. Pathways leading to the oceanic (and soil) degradation of these cyanides are poorly known but are expected to be biological in nature.

76 FR 28727 - Child Nutrition (CN) Labeling Program; Request for Extension and Revision of a Currently Approved...

Science.gov (United States)

2011-05-18

... (CN) Labeling Program; Request for Extension and Revision of a Currently Approved Information... INFORMATION: Title: Child Nutrition Labeling Program. OMB Number: 0581-0261 . Expiration Date of Approval: 3... collection. Abstract: The Child Nutrition (CN) Labeling Program is a voluntary technical assistance service...

Analysis of the Runoff for Watershed Using SCS-CN Method and Geographic Information Systems

OpenAIRE

P.Sundar Kumar; Dr.M.J.Ratna Kanth Babu,; Dr. T.V.Praveen; Venkata kumar.vagolu

2010-01-01

The Soil Conservation Service Curve Number (SCS-CN) method is widely used for predicting direct runoff volume for a given rainfall event. The applicability of the SCS-CN method and the runoff generation mechanism were thoroughly analyzed in a Mediterranean experimental watershed in Hyderabad. The region is characterized by a Mediterranean semi-arid climate. A detailed land cover and soil survey using remote sensing and GIS techniques, showed that the watershed is dominated by coarse soils wit...

[Fe(III)(dmbpy)(CN)4]-: a new building block for designing single-chain magnets.

Science.gov (United States)

Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel

2012-11-28

We herein present the synthesis and magneto-structural study of a new family of heterobimetallic chains of general formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n)·pnH(2)O [dmbpy = 4,4'-dimethyl-2,2'-bipyridine; M = Mn (2), Cu (3), Ni (4) and Co (5) with p = 4 (2), 3 (3), 9 (4) and 3.5 (5)] which were prepared by using the mononuclear PPh(4)[Fe(III)(dmbpy)(CN)(4)]·3H(2)O (1) building block (PPh(4)(+) = tetraphenylphosphonium) as a ligand toward fully solvated M(II) ions. The structure of 1 consists of discrete [Fe(III)(dmbpy)(CN)(4)](-) anions, tetraphenylphosphonium cations and noncoordinated water molecules. Complexes 2-5 are isostructural compounds whose structure consists of neutral 4,2-wave like heterobimetallic chains of formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n) where the [Fe(III)(dmbpy)(CN)(4)](-) entity adopts a bis-monodentate coordination mode toward trans-[M(II)(H(2)O)(2)] units through two of its four cyanide groups in cis positions. 1 exhibits the magnetic behaviour of magnetically isolated six-coordinate low-spin Fe(III) complexes with an important orbital contribution. 2 behaves as ferrimagnetic Fe(III)(2)Mn(II) chains, whereas 3-5 exhibit intrachain ferromagnetic couplings between the low-spin Fe(III) and either Cu(II) (3), Ni (4) or Co(II) (5) as well as frequency-dependence of the out-of-phase ac susceptibility signals below 3.0 (3), 5.5 (4) and 5.0 K (5). The relaxation time and the energy to reverse the magnetization of 3-5 are related to the anisotropy of the M(II) center and to the intra- and interchain magnetic interactions. Unprecedentedly in the world of cyanide-bearing complexes, 5 exhibits a double slow relaxation of the magnetization.

Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis

International Nuclear Information System (INIS)

Sun Wei; Huang, Guo H.; Zeng Guangming; Qin Xiaosheng; Yu Hui

2011-01-01

It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH 4 + -N concentration > Moisture content > Ash Content > Mean Temperature > Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. - Research Highlights: → A genetic algorithm aided stepwise cluster analysis method in food waste composting. → Nonlinear relationships between the selected state variables and the C/N ratio. → Introduced proxy tables save around 70% computational

Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis

Energy Technology Data Exchange (ETDEWEB)

Sun Wei [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada); Huang, Guo H., E-mail: huangg@iseis.org [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada); MOE Key Laboratory of Regional Energy Systems Optimization, Sino-Canada Energy and Environmental Research Academy, North China Electric Power University, Beijing, 102206 (China); Zeng Guangming [MOE Key Laboratory of Environmental Biology and Pollution Control, College of Environmental Science and Engineering, Hunan University, Changsha, Hunan, 410082 (China); Qin Xiaosheng [School of Civil and Environmental Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Yu Hui [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada)

2011-03-01

It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH{sub 4}{sup +}-N concentration > Moisture content > Ash Content > Mean Temperature > Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. - Research Highlights: {yields} A genetic algorithm aided stepwise cluster analysis method in food waste composting. {yields} Nonlinear relationships between the selected state variables and the C/N ratio. {yields} Introduced proxy tables

Complete Genome Sequence of Bacillus velezensis CN026 Exhibiting Antagonistic Activity against Gram-Negative Foodborne Pathogens

OpenAIRE

Nannan, Catherine; Gillis, Annika; Caulier, Simon; Mahillon, Jacques

2018-01-01

ABSTRACT We report here the complete genome sequence of Bacillus velezensis strain CN026, a member of the B. subtilis group, which is known for its many industrial applications. The genome contains 3,995,812 bp and displays six gene clusters potentially involved in strain CN026’s activity against Gram-negative foodborne pathogens.

iCN718, an Updated and Improved Genome-Scale Metabolic Network Reconstruction of Acinetobacter baumannii AYE.

Science.gov (United States)

Norsigian, Charles J; Kavvas, Erol; Seif, Yara; Palsson, Bernhard O; Monk, Jonathan M

2018-01-01

Acinetobacter baumannii has become an urgent clinical threat due to the recent emergence of multi-drug resistant strains. There is thus a significant need to discover new therapeutic targets in this organism. One means for doing so is through the use of high-quality genome-scale reconstructions. Well-curated and accurate genome-scale models (GEMs) of A. baumannii would be useful for improving treatment options. We present an updated and improved genome-scale reconstruction of A. baumannii AYE, named iCN718, that improves and standardizes previous A. baumannii AYE reconstructions. iCN718 has 80% accuracy for predicting gene essentiality data and additionally can predict large-scale phenotypic data with as much as 89% accuracy, a new capability for an A. baumannii reconstruction. We further demonstrate that iCN718 can be used to analyze conserved metabolic functions in the A. baumannii core genome and to build strain-specific GEMs of 74 other A. baumannii strains from genome sequence alone. iCN718 will serve as a resource to integrate and synthesize new experimental data being generated for this urgent threat pathogen.

Synthesis, crystal structure, and vibrational spectra of the anhydrous lithium dicyanamide Li[N(CN){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Reckeweg, Olaf [Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301 (United States); Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); DiSalvo, Francis J. [Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301 (United States); Schulz, Armin [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Blaschkowski, Bjoern; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); Jagiella, Stefan [Institut fuer Physikalische und Theoretische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany)

2014-04-15

Crystals of Li[N(CN){sub 2}] were synthesized from a metathesis reaction of stoichiometric amounts of aqueous solutions of Na[N(CN){sub 2}] and Li{sub 2}[SO{sub 4}] followed by subsequent treatment with ethanol and evaporation of the filtered-off solution at 80 C under normal atmospheric conditions. The single crystals of the title compound are transparent, colorless, and extremly hygroscopic. X-ray structure analysis showed that Li[N(CN){sub 2}] crystallizes in the monoclinic space group P2/c with the cell parameters a = 530.79(8) pm, b = 524.89(9) pm, c = 1149.77(17) pm, β = 101.551(7) , and Z = 4. The crystal structure contains Li{sup +} cations in both tetrahedral and octahedral nitrogen coordination of the boomerang-shaped [N≡C-N-C≡N]{sup -} anions. The vibrational spectra of Li[N(CN){sub 2}] are reported as well, together with ab initio calculations for geometry and harmonic frequencies of the free dicyanamide anion. (Copyright copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Complete Genome Sequence of Bacillus velezensis CN026 Exhibiting Antagonistic Activity against Gram-Negative Foodborne Pathogens.

Science.gov (United States)

Nannan, Catherine; Gillis, Annika; Caulier, Simon; Mahillon, Jacques

2018-01-25

We report here the complete genome sequence of Bacillus velezensis strain CN026, a member of the B. subtilis group, which is known for its many industrial applications. The genome contains 3,995,812 bp and displays six gene clusters potentially involved in strain CN026's activity against Gram-negative foodborne pathogens. Copyright © 2018 Nannan et al.

Cellular uptake of exogenous calcineurin B is dependent on TLR4/MD2/CD14 complexes, and CnB is an endogenous ligand of TLR4.

Science.gov (United States)

Yang, Jinju; Qin, Nannan; Zhang, Hongwei; Yang, Rui; Xiang, Benqiong; Wei, Qun

2016-04-19

Our previous research showed that recombinant calcineurin B (rhCnB) stimulates cytokine secretion by immune cells, probably through TLR4. Exogenous CnB can be incorporated into many different tumour cells in vitro, but the mode of uptake and receptors required remain unknown. Here, we report that exogenous CnB is taken up by cells in a time- and concentration-dependent manner via clathrin-dependent receptor-mediated internalization. Our findings further confirm that uptake is mediated by the TLR4/MD2 complex together with the co-receptor CD14. The MST results revealed a high affinity between CnB and the TLR4 receptor complex. No binding was detected between CnB and LPS. CnB inhibited the uptake of LPS, and LPS also inhibited the uptake of CnB. These results indicate that the uptake of exogenous CnB did not occur through LPS and that CnB was not a chaperone of LPS. Thus, we conclude that TLR4 receptor complexes were required for the recognition and internalization of exogenous CnB. CnB could be a potential endogenous ligand of TLR4 and function as an agonist of TLR4. These properties of CnB support its potential for development as an anti-cancer drug.

Optimal C:N ratio for the production of red pigments by Monascus ruber.

Science.gov (United States)

Said, Farhan M; Brooks, John; Chisti, Yusuf

2014-09-01

The carbon-to-nitrogen (C:N) ratio in the biomass of microfungi tends to be quite different (e.g. 10-15) compared with the C:N ratio in the red pigments (e.g. >20) of the fungus Monascus ruber. Therefore, determining an optimal C:N ratio in the culture medium for maximizing the production of the pigments is important. A culture medium composition is established for maximizing the production of the red pigment by the fungus M. ruber ICMP 15220 in submerged culture. The highest volumetric productivity of the red pigment was 0.023 AU L(-1) h(-1) in a batch culture (30 °C, initial pH of 6.5) with a defined medium of the following composition (g L(-1)): glucose (10), monosodium glutamate (MSG) (10), MgSO4·7H2O (0.5), KH2PO4 (5), K2HPO4 (5), ZnSO4·7H2O (0.01), FeSO4·7H2O (0.01), CaCl2 (0.1), MnSO4·H2O (0.03). This medium formulation had a C:N mole ratio of 9:1. Under these conditions, the specific growth rate of the fungus was 0.043 h(-1) and the peak biomass concentration was 6.7 g L(-1) in a 7-day culture. The biomass specific productivity of the red pigment was 1.06 AU g(-1) h(-1). The best nitrogen source proved to be MSG although four other inorganic nitrogen sources were evaluated.

Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions.

Science.gov (United States)

Li, Jin-Feng; Li, Miao-Miao; Bai, Hongcun; Sun, Yin-Yin; Li, Jian-Li; Yin, Bing

2015-12-01

An ab initio study of the superhalogen properties of eighteen binuclear double-bridged [Mg2 (CN)5 ](-1) clusters is reported herein by using various theoretical methods. High-level CCSD(T) results indicate that all the clusters possess strong superhalogen properties owing to their high vertical electron detachment energies (VDEs), which exceed 6.8 eV (highest: 8.15 eV). The outer valence Green's function method provides inaccurate relative VDE values; hence, this method is not suitable for this kind of polynuclear superhalogens. Both the HF and MP2 results are generally consistent with the CCSD(T) level regarding the relative VDE values and-especially interesting-the average values of the HF and MP2 VDEs are extremely close to the CCSD(T) results. The distributions of the extra electrons of the anions are mainly aggregated into the terminal CN units. These distributions are apparently different from those of previously reported triple-bridged isomers and may be the reason for the decreased VDE values of the clusters. In addition, comparisons of the VDEs of binuclear and mononuclear superhalogens as well as studies of the thermodynamic stabilities with respect to the detachment of various CN(-1) ligands are also performed. These results confirm that polynuclear structures with pseudohalogen ligands can be considered as probable new superhalogens with enhanced properties. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A single optical sensor with high sensitivity for detection of Fe{sup 3+} and CN{sup −} ions

Energy Technology Data Exchange (ETDEWEB)

Afshani, Jafar [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Badiei, Alireza, E-mail: abadiei@khayam.ut.ac.ir [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Nanobiomedicine Center of Excellence, Nanoscience and Nanotechnology Research Center, University of Tehran, Tehran (Iran, Islamic Republic of); Jafari, Maryam; Shayesteh, Alireza; Karimi, Mehdi; Lashgari, Negar [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Mohammadi Ziarani, Ghodsi [Department of Chemistry, Alzahra University, Tehran (Iran, Islamic Republic of)

2016-11-15

1,2-Bis(2-hydroxymethylphenoxy)ethane was synthesized and characterized by FT-IR and {sup 1}H NMR spectroscopy, and single crystal X-ray diffraction method. The sensing ability of the sensor was studied in the presence of different cations and anions. Following the excitation wavelengths at 275 nm in EtOH/H{sub 2}O (1:9, v/v) and 310 nm in MeCN/H{sub 2}O (1:9, v/v), two distinct emissions at 305 and 356 nm were obtained, respectively. Fe{sup 3+} and CN{sup −} ions were successfully detected in EtOH/H{sub 2}O and MeCN/H{sub 2}O mixtures, respectively. While the fluorescence intensity of the sensor quenched considerably in the presence of Fe{sup 3+} cation at 305 nm, it enhanced in the presence of CN{sup −} anion at 356 nm. Selectivity of the sensor toward these ions was verified in the presence of a variety of common interfering ions. The detection limits of Fe{sup 3+} and CN{sup −} were calculated as 5.4 × 10{sup −9} mol L{sup −1} and 1.9 × 10{sup −8} mol L{sup −1}, respectively which shows the high sensitivity of the sensor toward the target ions. Finally, the interaction of the sensor and CN{sup −} anion was determined by computational studies.

Preliminary verification of structure design for CN HCCB TBM with 1 × 4 configuration

Energy Technology Data Exchange (ETDEWEB)

Zhao, Zhou, E-mail: zhaozhou@swip.ac.cn; Zhou, Bing; Wang, Qijie; Cao, Qixiang; Feng, Kaiming; Wang, Xiaoyu; Zhang, Guoshu

2016-02-15

Highlights: • A new and simplification structural design scheme with 1 × 4 configuration is proposed for CN HCCB TBM. • The detail conceptual structural design for 1 × 4 TBM is completed. • The preliminary hydraulic analysis, thermo-hydraulic analysis and structural analysis for 1 × 4 TBM had been carried out. - Abstract: Based on the conceptual design of CN HCCB TBM with 1 × 4 configuration, the preliminary hydraulic analysis, thermo-hydraulic analysis and structural analysis had been carried out for it. Hydraulic and thermo-hydraulic analyses show that the coolant manifold system could meet the fluid design requirement preliminarily and the temperature of RAFMs structural parts, Be and Li{sub 4}SiO{sub 4} pebble beds are within the allowable range, and no zone shows a stress higher than the allowable limit in the preliminary structural analysis. These results indicate the design for CN HCCB TBM with 1 × 4 configuration is preliminary reasonable.

Preliminary verification of structure design for CN HCCB TBM with 1 × 4 configuration

International Nuclear Information System (INIS)

Zhao, Zhou; Zhou, Bing; Wang, Qijie; Cao, Qixiang; Feng, Kaiming; Wang, Xiaoyu; Zhang, Guoshu

2016-01-01

Highlights: • A new and simplification structural design scheme with 1 × 4 configuration is proposed for CN HCCB TBM. • The detail conceptual structural design for 1 × 4 TBM is completed. • The preliminary hydraulic analysis, thermo-hydraulic analysis and structural analysis for 1 × 4 TBM had been carried out. - Abstract: Based on the conceptual design of CN HCCB TBM with 1 × 4 configuration, the preliminary hydraulic analysis, thermo-hydraulic analysis and structural analysis had been carried out for it. Hydraulic and thermo-hydraulic analyses show that the coolant manifold system could meet the fluid design requirement preliminarily and the temperature of RAFMs structural parts, Be and Li_4SiO_4 pebble beds are within the allowable range, and no zone shows a stress higher than the allowable limit in the preliminary structural analysis. These results indicate the design for CN HCCB TBM with 1 × 4 configuration is preliminary reasonable.

Mechanical Properties And Microstructure Of AlN/SiCN Nanocomposite Coatings Prepared By R.F.-Reactive Sputtering Method

Directory of Open Access Journals (Sweden)

Nakafushi Y.

2015-06-01

Full Text Available FIn this work, AlN/SiCN composite coatings were deposited by r.f.-reactive sputtering method using a facing target-type sputtering (FTS apparatus with composite targets consisting of Al plate and SiC chips in a gaseous mixture of Ar and N2, and investigated their mechanical properties and microstructure. The indentation hardness (HIT of AlN/SiCN coatings prepared from composite targets consisting of 8 ~32 chips of SiC and Al plate showed the maximum value of about 29~32 GPa at a proper nitrogen gas flow rate. X-ray diffraction (XRD patterns for the AlN/SiCN composite coatings indicated the presence of the only peeks of hexagonal (B4 structured AlN phase. AlN coatings clarified the columnar structure of the cross sectional view TEM observation. On the other hand, microstructure of AlN/SiCN composite coatings changed from columnar to equiaxed structure with increasing SiCN content. HR-TEM observation clarified that the composite coatings consisted of very fine equiaxial grains of B4 structured AlN phase and amorphous phase.

Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis.

Science.gov (United States)

Sun, Wei; Huang, Guo H; Zeng, Guangming; Qin, Xiaosheng; Yu, Hui

2011-03-01

It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH₄+-N concentration>Moisture content>Ash Content>Mean Temperature>Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. Copyright © 2010 Elsevier B.V. All rights reserved.

Isolation and partial characterization of antimicrobial compounds from a new strain Streptomyces sp. CN207

International Nuclear Information System (INIS)

Slama, Nedra; Lazim, Hadeer; Barkallah, Insaf; Limam, Ferid

2008-01-01

A distinct streptomyces strains were isolated from Tunisian soil. the isolate designed CN207, was assigned to the genus streptomyces on the basis of morphological and chemotaxonomic criteria. A 16S rDNA sequence of the isolate was determined. Streptomyces sp CN207 secreted large amount antibiotic against gram positive bacteria, gram negative bacteria, yeast and fungi on his barley (HB) medium. (HB) medium was found to be suitable substrate of the medium for CN207 production. Maximum yield of CN207 product (700 mg/ml) after optimize fermentation process. Bioactive molecules from strain CN207 were extracted with ethyl acetate and analyzed by PTLC using silica gel plates.The separated compounds were visualiszed under UV at 254 nm and the active spots were detected by bioautography on silica gel plates using salmonella thyphimurium NRRL B4420 and Staphylococcus aureus CDC 103 as indicator microorganisms. The crude extract (8.36 g) was fractionated on Sep-pack column (C18 cartridge) and elution was performed using a discontinue gradient of methanol-water. Two active fractions eluted by 20% and 40% of methanol were obtained. The bioactive compounds were separated by preparative high performance liquid chromatography (HPLC) on a C18 reversed phase column and eluted with a linear gradient of acetonitrile -water in presence of 0.1% formic acid. The peaks were collected separately, concentrated and bioassayed against the routine indicator microorganisms. The absorption spectrum of the active molecules was determined with a shimadzu UV-160 a spectrophotometer. Determination of the chemical structure of these compounds on the basis on their IR, COSY and H 1: C13 is in progress

Study on optoelectronic properties of Spiro-CN for developing an efficient OLED

Science.gov (United States)

Mishra, Ashok Kumar

2018-05-01

There are a class of organic molecules and polymers which exhibit semiconductor behavior because of nearly free conjugate π-electrons. Hopping of these electrons in molecules forms different excited singlet and triplet states named as excitons. Some of these organic molecules can be set to emit photons by triplet-singlet excitonic transition via a process called Thermally Activated Delayed Fluorescence (TADF) which is exploited for designing the Organic Light Emitting diode (OLED.) Spiro-CN (spirobifluorene skeletons) Spiro is one of these reported noble metal-free TADF molecules which offers unique optical and electronic properties arising from the efficient transition and reverse intersystem crossing between the lowest singlet (S) and triplet (T) excited states. Its ability to harvest triplet excitons for fluorescence through facilitated reverse intersystem crossing (T→S) could directly impact their properties and performances, which is attractive for a wide variety of low-cost optoelectronic device. In the present study, the Spiro-CN compounds have been taken up for the investigation of various optoelectronic properties including the thermally activated delayed fluorescence (TADF) by using the Koopmans Method and Density Functional Theory. The present study discusses the utility of the Spiro-CN organic semiconductor as a suitable TADF material essential for developing an efficient Organic Light Emitting Diode (OLED).

Anomalous cosmic ray carbon and oxygen tracks in CN-Kodak.

Science.gov (United States)

Kondratyeva, M A; Tretyakova, C A; Tretyakova, S P; Zhuravlev, D A

2001-06-01

For observation of low energy cosmic ray particles we used CN-Kodak nuclear track detectors on Cosmos satellites. In solar quiet periods during solar minima conditions the detectors registered anomalous cosmic rays (ACRs). The ACRs are characterized by flux enhancements of several elements and it is known that the carbon enhancement is small compared with that of oxygen. In all of our quiet-time exposures the relation between carbon and oxygen was extremely small (C/O ~ 0.03). But in two quiet-time periods of 14.03.96-11.06.96 and of 15.12.97-14.04.98 we have identified many tracks as carbon in a L-R diagram. As a result the observed C/O ratio appears to be more than 0.5, whereas other experiments show no evidence of enhanced flux of carbon during these periods. The reason for the unexpected response of CN-Kodak is discussed. c2001 Elsevier Science Ltd. All rights reserved.

The influence of the pyrolysis temperature on the electrochemical behavior of carbon-rich SiCN polymer-derived ceramics as anode materials in lithium-ion batteries

Science.gov (United States)

Reinold, Lukas Mirko; Yamada, Yuto; Graczyk-Zajac, Magdalena; Munakata, Hirokazu; Kanamura, Kiyoshi; Riedel, Ralf

2015-05-01

Within this study we report on the impact of the pyrolysis temperature on the structural and electrochemical properties of the poly(phenylvinylsilylcarbodiimide) derived silicon carbonitride (SiCN) ceramic. Materials pyrolysed at 800 °C and 1300 °C, SiCN 800 and SiCN 1300, are found amorphous. Raman spectroscopy measurements indicate the increase in ordering of the free carbon phase with increasing pyrolysis temperature which leads to lower capacity recovered by SiCN 1300. Significant hysteresis is found for materials pyrolysed at 800 °C during electrochemical lithium insertion/extraction. This feature is attributed to much higher hydrogen content in SiCN 800 sample. An aging of SiCN 800 reflected by a change of elemental composition upon contact to air and a strong film formation are attenuated at a higher pyrolysis temperature. Single particle microelectrode investigation on SiCN 800 and SiCN 1300 clarify different electrochemical behavior of the materials. Much lower charge transfer resistance of SiCN 1300 in comparison to SiCN 800 explains better high currents electrochemical performance. Lithium ions diffusion coefficient Dmin ranges from 3.2 10-9 cm2s-1 to 6.4 10-11 cm2s-1 and is independent on the potential.

The Cn method applied to problems with an anisotropic diffusion law

International Nuclear Information System (INIS)

Grandjean, P.M.

A 2-dimensional Cn calculation has been applied to homogeneous media subjected to the Rayleigh impact law. Results obtained with collision probabilities and Chandrasekhar calculations are compared to those from Cn method. Introducing in the expression of the transport equation, an expansion truncated on a polynomial basis for the outgoing angular flux (or possibly entrance flux) gives two Cn systems of algebraic linear equations for the expansion coefficients. The matrix elements of these equations are the moments of the Green function in infinite medium. The search for the Green function is effected through the Fourier transformation of the integrodifferential equation and its moments are derived from their Fourier transforms through a numerical integration in the complex plane. The method has been used for calculating the albedo in semi-infinite media, the extrapolation length of the Milne problem, and the albedo and transmission factor of a slab (a concise study of convergence is presented). A system of integro-differential equations bearing on the moments of the angular flux inside the medium has been derived, for the collision probability method. It is numerically solved with approximately the bulk flux by step functions. The albedo in semi-infinite medium has also been computed through the semi-analytical Chandrasekhar method. In the latter, the outgoing flux is expressed as a function of the entrance flux by means of a integral whose kernel is numerically derived [fr

Rainfall - CN (Curve Number relationships in a tropical rainforest microbasin within the Panamá Canal watershed

Directory of Open Access Journals (Sweden)

José R. Fábrega D

2012-01-01

Full Text Available Relaciones de Precipitación (P y Número de Curva (CN para diferentesrangos de flujo base obtenidas dentro de la cuenca alta del Río Chagres fueron aplicadas a una microcuenca de 6.5 Ha localizada dentro de la cuenca del Canal de Panamá. Estas relaciones estiman valores de CN a partir de los datos de P empleando una ecuación establecida por Calvo et al (10. Esta ecuación usa k y CN∞ como parámetros de ajuste. Datos de precipitación/escorrentía de la microcuenca, colectados en un período de 6 meses fueron analizados. Estos análisis mostraron que los valores de CN en la microcuenca son más cercanos a los valores de CN predichos por la ecuación correspondiente al rango más bajo de los flujos base (14-42 m3/s de la cuenca alta del Río Chagres. Estos resultados se explican si consideramos no los valores absolutos del flujo base Qbase, sino los valores relativos de este parámetro con respecto al área de la cuenca bajo estudio.

GTLine – Gasoline as a potential CN suppressant for GTL

KAUST Repository

Reijnders, Jos; Boot, Michael; Johansson, Bengt; de Goey, Philip

2018-01-01

The main driver to investigate low temperature combustion concepts, such as partially premixed combustion (PPC), is the promise of low particulate matter (PM) and nitric oxide (NOx) emissions. A critical prerequisite for PPC is to temporally isolate the fuel injection and combustion events. In practice, exhaust gas recirculation (EGR) is applied in order to sufficiently extend the ignition delay to that effect. Hereby, in general, higher EGR rates are necessary for fuels with higher cetane numbers (CN). Against this background, the objective of this paper is to investigate the efficacy, with respect to PM-NOx emissions and engine efficiency, of gasoline as a potential gas-to-liquid (GTL) CN suppressant in various dosages. The performance of the resulting GTLine blend will be evaluated under PPC operating conditions in a heavy-duty direct-injected diesel engine. Setting aside for a moment any potential practical issues (e.g., flash point, vapor pressure) that fall outside the scope of this study, our data suggest that blending gasoline to otherwise high CN GTL appears to be a promising route to improve not only the efficiency, but also PM and NOx emissions, particularly when operating in PPC mode. Interestingly, this benefit is notwithstanding the high aromaticity of the gasoline compared to GTL. Given the ongoing dieselization trend and associated surplus of gasoline in many regions, notably Europe, along with the fact that the cost price of gasoline is significantly lower than that of GTL, the proposed GTLine approach promises to be a cost effective way to accommodate GTL in a world wherein low temperature combustion concepts, such as PPC, appear to be really taking off.

GTLine – Gasoline as a potential CN suppressant for GTL

KAUST Repository

Reijnders, Jos

2018-03-23

The main driver to investigate low temperature combustion concepts, such as partially premixed combustion (PPC), is the promise of low particulate matter (PM) and nitric oxide (NOx) emissions. A critical prerequisite for PPC is to temporally isolate the fuel injection and combustion events. In practice, exhaust gas recirculation (EGR) is applied in order to sufficiently extend the ignition delay to that effect. Hereby, in general, higher EGR rates are necessary for fuels with higher cetane numbers (CN). Against this background, the objective of this paper is to investigate the efficacy, with respect to PM-NOx emissions and engine efficiency, of gasoline as a potential gas-to-liquid (GTL) CN suppressant in various dosages. The performance of the resulting GTLine blend will be evaluated under PPC operating conditions in a heavy-duty direct-injected diesel engine. Setting aside for a moment any potential practical issues (e.g., flash point, vapor pressure) that fall outside the scope of this study, our data suggest that blending gasoline to otherwise high CN GTL appears to be a promising route to improve not only the efficiency, but also PM and NOx emissions, particularly when operating in PPC mode. Interestingly, this benefit is notwithstanding the high aromaticity of the gasoline compared to GTL. Given the ongoing dieselization trend and associated surplus of gasoline in many regions, notably Europe, along with the fact that the cost price of gasoline is significantly lower than that of GTL, the proposed GTLine approach promises to be a cost effective way to accommodate GTL in a world wherein low temperature combustion concepts, such as PPC, appear to be really taking off.

Effects of C/N ratio on nitrate removal and floc morphology of autohydrogenotrophic bacteria in a nitrate-containing wastewater treatment process.

Science.gov (United States)

Nguyen, Tran Ngoc Phu; Chao, Shu-Ju; Chen, Pei-Chung; Huang, Chihpin

2018-07-01

The effects of C/N ratio of a nitrate-containing wastewater on nitrate removal performed by autohydrogenotrophic bacteria as well as on the morphological parameters of floc such as floc morphology, floc number distribution, mean particle size (MPS), aspect ratio and transparency were examined in this study. The results showed that the nitrate reduction rate increased with increasing C/N ratio from 0.5 to 10 and that the nitrogen removal of up to 95% was found at the C/N ratios of higher than 5 (between 0.5-10). Besides, high C/N ratio values reflected a corresponding high nitrite accumulation after 12-hr operation, and a fast decreasing rate of nitrite in the rest of operational time. The final pH values increased with the C/N ratio increasing from 0.5 to 2.5, but decreased with the C/N ratio increasing from 2.5 to 10. There were no significant changes in floc morphology with the MPSs ranging from 35 to 40μm. Small and medium-sized flocs were dominant in the sludge suspension, and the number of flocs increased with the increasing C/N ratios. Furthermore, the highest apparent frequency of 10% was observed at aspect ratios of 0.5 and 0.6, while the transparency of flocs changed from 0.1 to 0.7. Copyright © 2017. Published by Elsevier B.V.

PREDICTION OF THE SPECTROSCOPIC PARAMETERS OF NEW IRON COMPOUNDS: HYDRIDE OF IRON CYANIDE/ISOCYANIDE, HFeCN/HFeNC

Energy Technology Data Exchange (ETDEWEB)

Redondo, Pilar; Barrientos, Carmen; Largo, Antonio, E-mail: predondo@qf.uva.es [Departamento de Química Física y Química Inorgánica Facultad de Ciencias, Universidad de Valladolid Campus Miguel Delibes Paseo de Belén 7, E-47011, Valladolid (Spain)

2016-09-01

Iron is the most abundant transition metal in space. Its abundance is similar to that of magnesium, and until today only, FeO and FeCN have been detected. However, magnesium-bearing compounds such as MgCN, MgNC, and HMgNC are found in IRC+10216. It seems that the hydrides of iron cyanide/isocyanide could be good candidates to be present in space. In the present work we carried out a characterization of the different minima on the quintet and triplet [C, Fe, H, N] potential energy surfaces, employing several theoretical approaches. The most stable isomers are predicted to be hydride of iron cyanide HFeCN, and isocyanide HFeNC, in their {sup 5}Δ states. Both isomers are found to be quasi-isoenergetics. The HFeNC isomer is predicted to lie about 0.5 kcal/mol below HFeCN. The barrier for the interconversion process is estimated to be around 6.0 kcal/mol, making this process unfeasible under low temperature conditions, such as those in the interstellar medium. Therefore, both HFeCN and HFeNC could be candidates for their detection. We report geometrical parameters, vibrational frequencies, and rotational constants that could help with their experimental characterization.

PREDICTION OF THE SPECTROSCOPIC PARAMETERS OF NEW IRON COMPOUNDS: HYDRIDE OF IRON CYANIDE/ISOCYANIDE, HFeCN/HFeNC

International Nuclear Information System (INIS)

Redondo, Pilar; Barrientos, Carmen; Largo, Antonio

2016-01-01

Iron is the most abundant transition metal in space. Its abundance is similar to that of magnesium, and until today only, FeO and FeCN have been detected. However, magnesium-bearing compounds such as MgCN, MgNC, and HMgNC are found in IRC+10216. It seems that the hydrides of iron cyanide/isocyanide could be good candidates to be present in space. In the present work we carried out a characterization of the different minima on the quintet and triplet [C, Fe, H, N] potential energy surfaces, employing several theoretical approaches. The most stable isomers are predicted to be hydride of iron cyanide HFeCN, and isocyanide HFeNC, in their 5 Δ states. Both isomers are found to be quasi-isoenergetics. The HFeNC isomer is predicted to lie about 0.5 kcal/mol below HFeCN. The barrier for the interconversion process is estimated to be around 6.0 kcal/mol, making this process unfeasible under low temperature conditions, such as those in the interstellar medium. Therefore, both HFeCN and HFeNC could be candidates for their detection. We report geometrical parameters, vibrational frequencies, and rotational constants that could help with their experimental characterization.

Effective Biological Nitrogen Removal Treatment Processes for Domestic Wastewaters with Low C/N Ratios: A Review

DEFF Research Database (Denmark)

Sun, Sheng-Peng; Pellicer i Nàcher, Carles; Merkey, Brian

2010-01-01

with high efficiency and relative low costs. However, the removal of nitrogen from domestic wastewater with a low carbon/nitrogen (C/N) ratio can often be limited in municipal wastewater plants (WWTPs) because organic carbon is a limiting factor for denitrification. The present work reviews innovative....... They can effectively be used for nitrogen removal from low C/N domestic wastewater without external carbon addition. In addition, conventional and alternative carbon sources for enhanced biological nitrogen removal were also reviewed. We conclude that alternative carbon sources such as wine distillery...... at large scale for nitrogen removal from low C/N domestic wastewater, (2) further method logic are explored to introduce the Anammox pathway into domestic wastewater treatment, and (3) alternative carbon sources are explored and optimized for supporting the denitrification. With these efforts, cost...

Monitoring of the future strong Vrancea events by using the CN formal earthquake prediction algorithm

International Nuclear Information System (INIS)

Moldoveanu, C.L.; Novikova, O.V.; Panza, G.F.; Radulian, M.

2003-06-01

The preparation process of the strong subcrustal events originating in Vrancea region, Romania, is monitored using an intermediate-term medium-range earthquake prediction method - the CN algorithm (Keilis-Borok and Rotwain, 1990). We present the results of the monitoring of the preparation of future strong earthquakes for the time interval from January 1, 1994 (1994.1.1), to January 1, 2003 (2003.1.1) using the updated catalogue of the Romanian local network. The database considered for the CN monitoring of the preparation of future strong earthquakes in Vrancea covers the period from 1966.3.1 to 2003.1.1 and the geographical rectangle 44.8 deg - 48.4 deg N, 25.0 deg - 28.0 deg E. The algorithm correctly identifies, by retrospective prediction, the TJPs for all the three strong earthquakes (Mo=6.4) that occurred in Vrancea during this period. The cumulated duration of the TIPs represents 26.5% of the total period of time considered (1966.3.1-2003.1.1). The monitoring of current seismicity using the algorithm CN has been carried out since 1994. No strong earthquakes occurred from 1994.1.1 to 2003.1.1 but the CN declared an extended false alarm from 1999.5.1 to 2000.11.1. No alarm has currently been declared in the region (on January 1, 2003), as can be seen from the TJPs diagram shown. (author)

Determination of ionization energies of CnN (n=4-12): Vacuum-ultraviolet (VUV) photoionization experiments and theoretical calculations

International Nuclear Information System (INIS)

Kostko, Oleg; Zhou, Jia; Sun, Bian Jian; Lie, Jie Shiuan; Chang, Agnes H.H.; Kaiser, Ralf I.; Ahmed, Musahid

2010-01-01

Results from single photon vacuum ultraviolet photoionization of astrophysically relevant CnN clusters, n = 4 - 12, in the photon energy range of 8.0 eV to 12.8 eV are presented. The experimental photoionization efficiency curves, combined with electronic structure calculations, provide improved ionization energies of the CnN species. A search through numerous nitrogen-terminated CnN isomers for n=4-9 indicates that the linear isomer has the lowest energy, and therefore should be the most abundant isomer in the molecular beam. Comparison with calculated results also shed light on the energetics of the linear CnN clusters, particularly in the trends of the even-carbon and the odd-carbon series. These results can help guide the search of potential astronomical observations of these neutral molecules together with their cations in highly ionized regions or regions with a high UV/VUV photon flux (ranging from the visible to VUV with flux maxima in the Lyman-a region) in the interstellar medium.

Enhanced Photocatalytic Degradation of Methyl Orange Dye under the Daylight Irradiation over CN-TiO₂ Modified with OMS-2.

Science.gov (United States)

Hassan, Mohamed Elfatih; Chen, Jing; Liu, Guanglong; Zhu, Duanwei; Cai, Jianbo

2014-12-12

In this study, CN-TiO₂ was modified with cryptomelane octahedral molecular sieves (OMS-2) by the sol-gel method based on the self-assembly technique to enhance its photocatalytic activity under the daylight irradiation. The synthesized samples were characterized by X-ray diffraction (XRD), UV-vis spectroscopy, Fourier transform infrared spectroscopy (FT-IR) and porosimeter analysis. The results showed that the addition of OMS-2 in the sol lead to higher Brunauer-Emmett-Teller (BET) surface area, pore volume, porosity of particle after heat treatment and the specific surface area, porosity, crystallite size and pore size distribution could be controlled by adjusting the calcination temperature. Compared to the CN-TiO₂-400 sample, CN-TiO₂/OMS-2-400 exhibited greater red shift in absorption edge of samples in visible region due to the OMS-2 coated. The enhancement of photocatalytic activity of CN-TiO₂/OMS-2 composite photocatalyst was subsequently evaluated for the degradation of the methyl orange dye under the daylight irradiation in water. The results showed that the methyl orange dye degradation rate reach to 37.8% for the CN-TiO₂/OMS-2-400 sample under the daylight irradiation for 5 h, which was higher than that of reference sample. The enhancement in daylight photocatalytic activities of the CN-TiO₂/OMS samples could be attributed to the synergistic effects of OMS-2 coated, larger surface area and red shift in adsorption edge of the prepared sample.

Influence of high temperature annealing on the structure, hardness and tribological properties of diamond-like carbon and TiAlSiCN nanocomposite coatings

International Nuclear Information System (INIS)

Xie, Z.W.; Wang, L.P.; Wang, X.F.; Huang, L.; Lu, Y.; Yan, J.C.

2011-01-01

Diamond-like carbon (DLC) and TiAlSiCN nanocomposite coatings were synthesized and annealed at different temperatures in a vacuum environment. The microstructure, hardness and tribological properties of as-deposited and annealed DLC-TiAlSiCN nanocomposite coatings were characterized by X-ray diffraction, X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), Raman spectroscopy, nano-indentation and friction tests. The TEM results reveal that the as-deposited DLC-TiAlSiCN coating has a unique nanocomposite structure consisting of TiCN nanocrystals embedded in an amorphous matrix consisting of a-Si 3 N 4 , a-SiC, a-CN and DLC, and the structure changed little after annealing at 800 °C. However, XPS and Raman results show that an obvious graphitization of the DLC phase occurred during the annealing process and it worsened with annealing temperature. Because of the graphitization, the hardness of the DLC-TiAlSiCN coating after annealing at 800 °C decreased from 45 to 36 GPa. In addition, the DLC-TiAlSiCN coating after annealing at 800 °C has a similar friction coefficient to the as-deposited coating.

Beyond the SCS-CN method: A theoretical framework for spatially lumped rainfall-runoff response

Science.gov (United States)

Bartlett, M. S.; Parolari, A. J.; McDonnell, J. J.; Porporato, A.

2016-06-01

Since its introduction in 1954, the Soil Conservation Service curve number (SCS-CN) method has become the standard tool, in practice, for estimating an event-based rainfall-runoff response. However, because of its empirical origins, the SCS-CN method is restricted to certain geographic regions and land use types. Moreover, it does not describe the spatial variability of runoff. To move beyond these limitations, we present a new theoretical framework for spatially lumped, event-based rainfall-runoff modeling. In this framework, we describe the spatially lumped runoff model as a point description of runoff that is upscaled to a watershed area based on probability distributions that are representative of watershed heterogeneities. The framework accommodates different runoff concepts and distributions of heterogeneities, and in doing so, it provides an implicit spatial description of runoff variability. Heterogeneity in storage capacity and soil moisture are the basis for upscaling a point runoff response and linking ecohydrological processes to runoff modeling. For the framework, we consider two different runoff responses for fractions of the watershed area: "prethreshold" and "threshold-excess" runoff. These occur before and after infiltration exceeds a storage capacity threshold. Our application of the framework results in a new model (called SCS-CNx) that extends the SCS-CN method with the prethreshold and threshold-excess runoff mechanisms and an implicit spatial description of runoff. We show proof of concept in four forested watersheds and further that the resulting model may better represent geographic regions and site types that previously have been beyond the scope of the traditional SCS-CN method.

The CN/C15N isotopic ratio towards dark clouds

Science.gov (United States)

Hily-Blant, P.; Pineau des Forêts, G.; Faure, A.; Le Gal, R.; Padovani, M.

2013-09-01

Understanding the origin of the composition of solar system cosmomaterials is a central question, not only in the cosmochemistry and astrochemistry fields, and requires various approaches to be combined. Measurements of isotopic ratios in cometary materials provide strong constraints on the content of the protosolar nebula. Their relation with the composition of the parental dark clouds is, however, still very elusive. In this paper, we bring new constraints based on the isotopic composition of nitrogen in dark clouds, with the aim of understanding the chemical processes that are responsible for the observed isotopic ratios. We have observed and detected the fundamental rotational transition of C15N towards two starless dark clouds, L1544 and L1498. We were able to derive the column density ratio of C15N over 13CN towards the same clouds and obtain the CN/C15N isotopic ratios, which were found to be 500 ± 75 for both L1544 and L1498. These values are therefore marginally consistent with the protosolar value of 441. Moreover, this ratio is larger than the isotopic ratio of nitrogen measured in HCN. In addition, we present model calculations of the chemical fractionation of nitrogen in dark clouds, which make it possible to understand how CN can be deprived of 15N and HCN can simultaneously be enriched in heavy nitrogen. The non-fractionation of N2H+, however, remains an open issue, and we propose some chemical way of alleviating the discrepancy between model predictions and the observed ratios. Appendices are available in electronic form at http://www.aanda.orgThe reduced spectra (in FITS format) are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/557/A65

Histone fractionation by high-performance liquid chromatography on cyanoalkylsilane (CN) reverse-phase columns

International Nuclear Information System (INIS)

Gurley, L.R.; Prentice, D.A.; Valdez, J.G.; Spall, W.D.

1983-01-01

Previous work described conditions for the rapid fractionation of histones by high-performance liquid chromatography (HPLC) using a reverse-phase μBondapak C 18 column. That procedure resolved the major classes of histones with one exception: the more hydrophobic H2A variant, (MHP)H2A, was not resolved from the H4 histone class. This report extends that work describing experiments using a μBondapak CN column which better resolves the classes of histones from each other including the resolution of (MHP)H2A from the H4. In addition, the less hydrophobic H2A variant, (LHP)H2A, is partially resolved from the (MHP)H2A, and the less hydrophobic H3 variant, (LHP)H3, is resolved from the more hydrophobic H3 variant, (MHP)H3. Lower trifluoroacetic acid (TFA) concentrations (0.1%) in the eluting water/acetonitrile solvent were used with the CN column than were used with the C 18 column which increased the sensitivity of histone detection by ultraviolet absorption at 206 nm. Greater than 95% of the total [ 3 H]lysine-labeled protein applied to the CN column was eluted from the column. Contaminating nonhistone proteins were found to chromatograph in the region of histone elution. These were greatly reduced by isolating nuclei prior to histone preparation. The fractionation of the histones appears to be based on the hydrophobic properties of the proteins. The histone fractions (identified by their electrophoretic mobilities) were eluted from the CN column in the following order: H1, H2B, (LHP)H2A, (MHP)H2A, H4, (LHP)H3, and (MHP)H3. Phosphorylated and acetylated histone species were not resolved from their unmodified parental species

Catchment area-based evaluation of the AMC-dependent SCS-CN-based rainfall-runoff models

Science.gov (United States)

Mishra, S. K.; Jain, M. K.; Pandey, R. P.; Singh, V. P.

2005-09-01

Using a large set of rainfall-runoff data from 234 watersheds in the USA, a catchment area-based evaluation of the modified version of the Mishra and Singh (2002a) model was performed. The model is based on the Soil Conservation Service Curve Number (SCS-CN) methodology and incorporates the antecedent moisture in computation of direct surface runoff. Comparison with the existing SCS-CN method showed that the modified version performed better than did the existing one on the data of all seven area-based groups of watersheds ranging from 0.01 to 310.3 km2.

The effects of sunlight exposure on the neutron response of CN-85 track detector

International Nuclear Information System (INIS)

Ahmad, N.; Mirza, N.M.; Mirza, S.K.; Tufail, M.

1996-01-01

The effect of sunlight exposure on the neutron response of CN-85 track detectors has been studied. It has been observed that the response during the first 28 days of sunlight exposure is slightly enhanced (10%) and then deceases continuously with increase in the sunlight exposure. After 84 days of sunlight exposure the response of the exposed detector relative to an unexposed detector is only 22%. It is also observed that the response can not be maintained by wrapping the CN-85 etch track detectors in typewriter black carbon papers if they are exposed to sunlight. (author)

Electronic Switch in the Carbon-Centered [Re12CS17(CN6] n−Nanocluster

Directory of Open Access Journals (Sweden)

Gabuda SP

2009-01-01

Full Text Available Abstract An abrupt change in internuclear Re–Re distances between {Re6} subunits in the carbon-centered [Re12μ6-CS17(CN6] n−complexes caused by the change of the oxidation state (n = 6, 8 is first theoretically shown to be possibly controlled by an external electric field.13C NMR signal is shown to change over ~400 ppm (~37G for μ6-C atom together withn. Thereby, the metal cluster [Re12μ6-CS17(CN6] n−can be considered as a perspective model of a molecular switch.

Improvements related with the safety required by the Argentine Regulatory Authority to the Atucha I Nuclear Central

International Nuclear Information System (INIS)

Calvo, J.; Michelin, C.; Navarro, R.; Waldman, R.

2006-01-01

The Argentinean Nuclear Regulation Authority (ARN) verified the existence of changes in the state of some internal components of the reactor of the Atucha I Nuclear Power station that, of continuing in the time, it could take to an inconvenient degradation for the safety operation of the installation. In consequence, to the effects of preventing that reach this situation, at the end of 1999, the ARN required to the Responsible Entity for the operation of this power station the implementation of an important improvements program in the internal components of the reactor. Additionally, and based on the results of the Probabilistic Safety analysis, it was added the one mentioned improvements program the implementation of an alternative cooling system of the reactor core denominated Second Drain of Heat, due to it was determined that, for some accidental sequences, their performance would reduce considerably the probability of damage to the core. The concretion of the improvements program implied to the Responsible Entity the realization of an important quantity of engineering studies, tests and specific inspections that allowed to carry out changes on the control bars of the reactor and its guide tubes; the coolant channels; the sensors of neutron flow; and diverse components of the primary and moderator systems. On the other hand also it was implemented the system Second Drain of Heat, what represents a considerable effort to make compatible the instrumentation and control of last generation, with the instrumentation and existent control systems in the power station. Also, it was requested to be carried out an integrity of the pressure recipient for to demonstrate the existence of an acceptable margin for the difference among the acceptable limit temperatures and of ductile/fragile transition of the material for all the possible accidental scenarios during the useful life of the reactor. (Author)

Li dynamics in carbon-rich polymer-derived SiCN ceramics probed by NMR

Science.gov (United States)

Baek, Seung-Ho; Reinold, Lukas; Graczyk-Zajac, Magdalena; Riedel, Ralf; Hammerath, Franziska; Buechner, Bernd; Grafe, Hajo

2014-03-01

We report 7Li, 29Si, and 13C NMR studies of two different carbon-rich SiCN ceramics SiCN-1 and SiCN-3 derived from the preceramic polymers polyphenylvinylsilylcarbodiimide and polyphenylvinylsilazane, respectively. From the spectral analysis of the three nuclei at room temperature, we find that only the 13C spectrum is strongly influenced by Li insertion/extraction, suggesting that carbon phases are the major electrochemically active sites for Li storage. Temperature and Larmor frequency (ωL) dependences of the 7Li linewidth and spin-lattice relaxation rates T1-1 are described by an activated law with the activation energy EA of 0.31 eV and the correlation time τ0 in the high temperature limit of 1.3 ps. The 3 / 2 power law dependence of T1-1 on ωL which deviates from the standard Bloembergen, Purcell, and Pound (BPP) model implies that the Li motion on the μs timescale is governed by continuum diffusion mechanism rather than jump diffusion. On the other hand, the rotating frame relaxation rate T1ρ-1 results suggest that the slow motion of Li on the ms timescale may be affected by complex diffusion and/or non-diffusion processes.

Synthesis of (Cr,V){sub 2}(C,N) solid solution powders by thermal processing precursors

Energy Technology Data Exchange (ETDEWEB)

Liu, Anrui [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China); Liu, Ying [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China); Key Laboratory of Advanced Special Material & Technology, Ministry of Education, Chengdu, 610065 (China); Ma, Shiqing; Qiu, Yuchong; Rong, Pengcheng; Ye, Jinwen [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China)

2017-06-01

The single-phase (Cr,V){sub 2}(C,N) solid solution powders were fabricated via carbothermal reduction-nitridation (CRN) processing technique. The effects of heat treatment temperature, nitrogen pressure and carbon proportion were experimentally studied in detail by X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and thermal analysis. The chemical transformations of vanadium and chromium compounds were as follows: precursors → V{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} → Cr{sub 3}C{sub 2}, Cr{sub 2}O{sub 3}, (Cr,V){sub 2}(C,N) → (Cr,V){sub 2}(C,N). When the heat-treated temperature was below 1200 °C, chromium oxides didn’t completely react. However, higher temperature ∼1300 °C could not only lead to the segregation of some nitrides and carbon black, but also to the occurrence of fiber-bridged particles. The system nitrogen pressure over 0.03 MPa would cause a subtle transformation of (Cr,V){sub 2}(C,N) to VCrN{sub 2}. When the carbon proportion was below 15 wt%, the oxides could not be completely reduced, while when the carbon proportion was above 15.5 wt%, some undesired carbides, like Cr{sub 23}C{sub 6} and Cr{sub 3}C{sub 2}, would form. Ultimately, the homogeneously distributed pure-phase (Cr,V){sub 2}(C,N) spherical particles with the average size of ∼1.5 μm were obtained at the optimal conditions of the treatment of precursors at 1200 °C for 1 h with the nitrogen pressure of 0.03 MPa and carbon content of 15.5 wt%. The chemical composition of the solid solution with the optimal process could be drawn as (Cr{sub 0.85}V{sub 0.15}){sub 2}(C{sub 0.57}N{sub 0.43}). Thermal processing precursors method shows the advantages of lower synthesis temperature, shorter period and finer particles when comparing with the conventional preparations. - Highlights: • Single phase of (Cr,V){sub 2}(C,N) powders were synthesized for the first time. • Precursors were used to prepared the powders by carbothermal

Exploring the crystallization landscape of cadmium bis(N-hydroxyethyl, N-isopropyldithiocarbamate), Cd[S2CN(iPr)CH2CH2OH]2

International Nuclear Information System (INIS)

Tan, Yee Seng; Halim, Siti Nadiah Abdul; Tiekink, Edward R.T.; Sunway Univ., Bandar Sunway

2016-01-01

Crystallization of Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 from ethanol yields the coordination polymer [{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 }.EtOH] ∞ (1) within 3 h. When the solution is allowed to stand for another hour, the needles begin to dissolve and prisms emerge of the supramolecular isomer (SI), binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 .2EtOH (2). These have been fully characterized spectroscopically and by X-ray crystallography. Polymeric 1 has 2-fold symmetry and features dithiocarbamate ligands coordinating two octahedral Cd atoms in a μ 2 κ 2 -tridentate mode. Binuclear 2 is centrosymmetric with two ligands being μ 2 κ 2 -tridentate as for 1 but the other two being κ 2 -chelating leading to square pyramidal geometries. The conversion of the kinetic crystallization product, 1, to thermodynamic 2 is irreversible but transformations mediated by recrystallization (ethanol and acetonitrile) to related literature SI species, namely coordination polymer [{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 3 .MeCN] ∞ and binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 .2H 2 O.2MeCN, are demonstrated, some of which are reversible. Three other crystallization outcomes are described whereby crystal structures were obtained for the 1:2 co-crystal {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 :2[3-(propan-2-yl)-1,3-oxazolidine-2-thione] (3), the salt co-crystal [iPrNH 2 (CH 2 CH 2 OH)] 4 [SO 4 ] 2 {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 (4) and the salt [iPrNH 2 (CH 2 CH 2 OH)]{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 3 } (5). These arise as a result of decomposition/oxidation of the dithiocarbamate ligands. In each of 3 and 4 the binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 SI, as in 2, is observed strongly suggesting a thermodynamic preference for this form.

Application and comparison of the SCS-CN-based rainfall-runoff model in meso-scale watershed and field scale

Science.gov (United States)

Luo, L.; Wang, Z.

2010-12-01

Soil Conservation Service Curve Number (SCS-CN) based hydrologic model, has widely been used for agricultural watersheds in recent years. However, there will be relative error when applying it due to differentiation of geographical and climatological conditions. This paper introduces a more adaptable and propagable model based on the modified SCS-CN method, which specializes into two different scale cases of research regions. Combining the typical conditions of the Zhanghe irrigation district in southern part of China, such as hydrometeorologic conditions and surface conditions, SCS-CN based models were established. The Xinbu-Qiao River basin (area =1207 km2) and the Tuanlin runoff test area (area =2.87 km2)were taken as the study areas of basin scale and field scale in Zhanghe irrigation district. Applications were extended from ordinary meso-scale watershed to field scale in Zhanghe paddy field-dominated irrigated . Based on actual measurement data of land use, soil classification, hydrology and meteorology, quantitative evaluation and modifications for two coefficients, i.e. preceding loss and runoff curve, were proposed with corresponding models, table of CN values for different landuse and AMC(antecedent moisture condition) grading standard fitting for research cases were proposed. The simulation precision was increased by putting forward a 12h unit hydrograph of the field area, and 12h unit hydrograph were simplified. Comparison between different scales show that it’s more effectively to use SCS-CN model on field scale after parameters calibrated in basin scale These results can help discovering the rainfall-runoff rule in the district. Differences of established SCS-CN model's parameters between the two study regions are also considered. Varied forms of landuse and impacts of human activities were the important factors which can impact the rainfall-runoff relations in Zhanghe irrigation district.

A CN-Based Ensembled Hydrological Model for Enhanced Watershed Runoff Prediction

Directory of Open Access Journals (Sweden)

Muhammad Ajmal

2016-01-01

Full Text Available A major structural inconsistency of the traditional curve number (CN model is its dependence on an unstable fixed initial abstraction, which normally results in sudden jumps in runoff estimation. Likewise, the lack of pre-storm soil moisture accounting (PSMA procedure is another inherent limitation of the model. To circumvent those problems, we used a variable initial abstraction after ensembling the traditional CN model and a French four-parameter (GR4J model to better quantify direct runoff from ungauged watersheds. To mimic the natural rainfall-runoff transformation at the watershed scale, our new parameterization designates intrinsic parameters and uses a simple structure. It exhibited more accurate and consistent results than earlier methods in evaluating data from 39 forest-dominated watersheds, both for small and large watersheds. In addition, based on different performance evaluation indicators, the runoff reproduction results show that the proposed model produced more consistent results for dry, normal, and wet watershed conditions than the other models used in this study.

Development of the dyed-track method for Kodak CN-85 detector

International Nuclear Information System (INIS)

Somogyi, G.; Toth-Szilagyi, M.; Varga, Z.; Monnin, M.; Lferde, M.

1984-01-01

The dyed-track method has been successfully developed for cellulose derivatives. The track parameters (width, colouration deepness, contrast, registration sensitivity), however, proved to be very dependent on the detector material and on the track processing conditions. In our previous works optimum conditions were presented mostly for cellulose acetate sheets. In the present work we have studied the influence of track processing parameters on the dyed-track formation in Kodak cellulose nitrate detector called CN-85. It is found that in this material optimum dyed-tracks can be produced with using no swelling but with a thermal annealing at 100 deg C for 1 hour after particle irradiation. For sensitization a treatment with 15% HCl at 22 deg C for 20 hours and for dyeing 0.3 wt% Rhodamine-B at 100 deg C for 1 hour proved to be the best. For better understanding the track dyeing phenomenon we have studied the colouration behaviour of electron-irradiated CN-85 detectors. (author)

Development of the dyed-track method for Kodak CN-85 detector

Energy Technology Data Exchange (ETDEWEB)

Somogyi, G.; Toth-Szilagyi, M.; Varga, Z. (Magyar Tudomanyos Akademia, Debrecen. Atommag Kutato Intezete); Monnin, M.; Lferde, M. (Clermont-Ferrand-2 Univ., 63 - Aubiere (France). Lab. de Physique Corpusculaire)

1984-01-01

The dyed-track method has been successfully developed for cellulose derivatives. The track parameters (width, colouration deepness, contrast, registration sensitivity), however, proved to be very dependent on the detector material and on the track processing conditions. In our previous works optimum conditions were presented mostly for cellulose acetate sheets. In the present work we have studied the influence of track processing parameters on the dyed-track formation in Kodak cellulose nitrate detector called CN-85. It is found that in this material optimum dyed-tracks can be produced with using no swelling but with a thermal annealing at 100 deg C for 1 hour after particle irradiation. For sensitization a treatment with 15% HCl at 22 deg C for 20 hours and for dyeing 0.3 wt% Rhodamine-B at 100 deg C for 1 hour proved to be the best. For better understanding the track dyeing phenomenon we have studied the colouration behaviour of electron-irradiated CN-85 detectors.

Exact estimation of biodiesel cetane number (CN) from its fatty acid methyl esters (FAMEs) profile using partial least square (PLS) adapted by artificial neural network (ANN)

International Nuclear Information System (INIS)

Hosseinpour, Soleiman; Aghbashlo, Mortaza; Tabatabaei, Meisam; Khalife, Esmail

2016-01-01

Highlights: • Estimating the biodiesel CN from its FAMEs profile using ANN-based PLS approach. • Comparing the capability of ANN-adapted PLS approach with the standard PLS model. • Exact prediction of biodiesel CN from it FAMEs profile using ANN-based PLS method. • Developing an easy-to-use software using ANN-PLS model for computing the biodiesel CN. - Abstract: Cetane number (CN) is among the most important properties of biodiesel because it quantifies combustion speed or in better words, ignition quality. Experimental measurement of biodiesel CN is rather laborious and expensive. However, the high proportionality of biodiesel fatty acid methyl esters (FAMEs) profile with its CN is very appealing to develop straightforward and inexpensive computerized tools for biodiesel CN estimation. Unfortunately, correlating the chemical structure of biodiesel to its CN using conventional statistical and mathematical approaches is very difficult. To solve this issue, partial least square (PLS) adapted by artificial neural network (ANN) was introduced and examined herein as an innovative approach for the exact estimation of biodiesel CN from its FAMEs profile. In the proposed approach, ANN paradigm was used for modeling the inner relation between the input and the output PLS score vectors. In addition, the capability of the developed method in predicting the biodiesel CN was compared with the basal PLS method. The accuracy of the developed approaches for computing the biodiesel CN was assessed using three statistical criteria, i.e., coefficient of determination (R"2), mean-squared error (MSE), and percentage error (PE). The ANN-adapted PLS method predicted the biodiesel CN with an R"2 value higher than 0.99 demonstrating the fidelity of the developed model over the classical PLS method with a markedly lower R"2 value of about 0.85. In order to facilitate the use of the proposed model, an easy-to-use computer program was also developed on the basis of ANN-adapted PLS

Effect of nano-CeO 2 on microstructure properties of TiC/TiN+TiCN ...

Indian Academy of Sciences (India)

TiC/TiN+TiCN-reinforced composite coatings were fabricated on Ti–6Al–4V alloy by laser cladding, which improved surface performance of the substrate. ... X-ray diffraction results indicated that Al3Ti+TiC/TiN+nano-CeO2 laser-cladded coating consisted of Ti3Al, TiC, TiN, Ti2Al20Ce, TiC0.3N0.7, Ce(CN)3 and CeO2, this ...

A highly selective fluorescent chemosensor for CN- based on a novel bis(salamo)-type tetraoxime ligand

Science.gov (United States)

Wang, Fei; Gao, Lei; Zhao, Qing; Zhang, Yang; Dong, Wen-Kui; Ding, Yu-Jie

2018-02-01

The optical properties of a novel chemosensor for cyanide anions based on a symmetric bis(salamo)-type ligand (H3L) were investigated by UV-Vis and fluorescence spectroscopy in MeOH/H2O (1:1 v/v) solution. Sensor H3L can selectively sense CN- based on prominent color changes among other anions. The chemosensor exhibits an apparent fluorescence enhancement at 482 nm to CN- which because cyanide ions interact with Cdbnd N bonds. Combining the corrected Benesi-Hildebrand formula, the binding constant of the formed host-guest complex was calculated as 2.42 × 105 M- 1. Meanwhile, the detection limit of the sensor toward CN- was 8.91 × 10- 7 M. It is worth noting that the designed sensor can be used for rapid detection of cyanide anions in basic pH range, and has great practical value.

TiCN thin films grown by reactive crossed beam pulsed laser deposition

Science.gov (United States)

Escobar-Alarcón, L.; Camps, E.; Romero, S.; Muhl, S.; Camps, I.; Haro-Poniatowski, E.

2010-12-01

In this work, we used a crossed plasma configuration where the ablation of two different targets in a reactive atmosphere was performed to prepare nanocrystalline thin films of ternary compounds. In order to assess this alternative deposition configuration, titanium carbonitride (TiCN) thin films were deposited. Two crossed plasmas were produced by simultaneously ablating titanium and graphite targets in an Ar/N2 atmosphere. Films were deposited at room temperature onto Si (100) and AISI 4140 steel substrates whilst keeping the ablation conditions of the Ti target constant. By varying the laser fluence on the carbon target it was possible to study the effect of the carbon plasma on the characteristics of the deposited TiCN films. The structure and composition of the films were analyzed by X-ray Diffraction, Raman Spectroscopy and non-Rutherford Backscattering Spectroscopy. The hardness and elastic modulus of the films was also measured by nanoindentation. In general, the experimental results showed that the TiCN thin films were highly oriented in the (111) crystallographic direction with crystallite sizes as small as 6.0 nm. It was found that the hardness increased as the laser fluence was increased, reaching a maximum value of about 33 GPa and an elastic modulus of 244 GPa. With the proposed configuration, the carbon content could be easily varied from 42 to 5 at.% by changing the laser fluence on the carbon target.

Thermochemistry of the reactions between CN+ and H2O in the gas phase

Science.gov (United States)

Ijjaali, Fatima; Alcami, Manuel; Mo, Otilia; Yanez, Manuel

The [H2, C, N, O]+ potential energy surface (PES) has been explored by means of high-level ab initio calculations, carried out in the framework of the G2 theory. From this survey we concluded that the predominant products of the CN+ +H2O reaction are the result of the dissociation of HNCOH+ species and to a much lesser extent of the CNHOH+ cation to yield CNH+ +OH. According to our results HCN+ should not be a product of this reaction because all pathways leading to its formation are unfavourable with regards to other competitive processes. Other reactive channels lead to the formation of the H2ONC+ structure which dissociates into CN + H2O+. The loss of NH(3Σ) and O(3P) seems to take place following spin-forbidden reaction paths through an intersystem crossing between the singlet and the triplet PESs. The global minimum of the PES, H2NCO+ is easily accessible and should lead to the loss of carbon monoxide which has not been experimentally observed in CN+ + H2O reactions. We cannot oOEer a clear explanation for this disagreement between theory and experiment.

Extraction of benzene and cyclohexane using [BMIM][N(CN)2] and their equilibrium modeling

Science.gov (United States)

Ismail, Marhaina; Bustam, M. Azmi; Man, Zakaria

2017-12-01

The separation of aromatic compound from aliphatic mixture is one of the essential industrial processes for an economically green process. In order to determine the separation efficiency of ionic liquid (IL) as a solvent in the separation, the ternary diagram of liquid-liquid extraction (LLE) 1-butyl-3-methylimidazolium dicyanamide [BMIM][N(CN)2] with benzene and cyclohexane was studied at T=298.15 K and atmospheric pressure. The solute distribution coefficient and solvent selectivity derived from the equilibrium data were used to evaluate if the selected ionic liquid can be considered as potential solvent for the separation of benzene from cyclohexane. The experimental tie line data was correlated using non-random two liquid model (NRTL) and Margules model. It was found that the solute distribution coefficient is (0.4430-0.0776) and selectivity of [BMIM][N(CN)2] for benzene is (53.6-13.9). The ternary diagram showed that the selected IL can perform the separation of benzene and cyclohexane as it has extractive capacity and selectivity. Therefore, [BMIM][N(CN)2] can be considered as a potential extracting solvent for the LLE of benzene and cyclohexane.

Computational investigation of the electronic and structural properties of CN radical on the pristine and Al-doped (6, 0) BN nanotubes

International Nuclear Information System (INIS)

Soltani, Alireza; Moradi, Ali Varasteh; Bahari, Mahsa; Masoodi, Anis; Shojaee, Shamim

2013-01-01

We have performed first-principle calculations to investigate the adsorption behavior of the CN radical (CåN) on the external surface of H-capped Al-doped (6, 0) zigzag single-walled BN nanotubes (BNNT). We calculated the bond length, gap energies, dipole moments, and electronic properties of the · CN on the exterior surface of SWBNNT. Binding energy corresponding to the most stable configuration of CN radical on Al N -doped BNNT is found to be −471.73 kJ mol −1 . The calculated density of states (DOS) reveals that there is a significant orbital hybridization between · CN and Al-doping species in the adsorption process being evidence of an exothermic process. The results indicate that BNNT could be a suitable sensor

A density functional study of structures and stability of SinCN clusters

International Nuclear Information System (INIS)

Gai Zhigang; Yang Li; Zhao Jie; Chu Shibo

2011-01-01

In this paper, density functional theory (DFT) B3LYP method with 6-311G * basis set has been used to investigate geometric configurations, vibrational frequencies and ground state energies of Si n CN (n = 2 ∼ 6) clusters. The energies and spin multiplicities of ground states and substable states have been discussed, respectively. Harmonic frequencies and infrared spectra intensity for these clusters are given in order to aid in the characterization of the stable structures. The results show that the zero point energy (ZPE), thermocapacity and entropies are nearly in proportion to increased n, whose average enhancement are 0.80 kcal/mol, 5.20 cal/mol · K and 12.72 cal/ mol · K, respectively. The stability of Si n CN (n = 2 ∼ 6) clusters with even n are greater than that with odd n. (authors)

The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

Science.gov (United States)

Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

2013-01-01

The A\\ ^1B_1 \\leftarrow \\tilde{X}\\ ^1A^{\\prime } excitation into the dipole-bound state of the cyanomethyl anion (CH2CN-) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for \\tilde{X}\\ ^1A^{\\prime } CH2CN- in order to assist in laboratory studies and astronomical observations.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F∙∙∙HCH₂ CN transition state: Disagreement with experiment

Energy Technology Data Exchange (ETDEWEB)

Pratihar, Subha [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ma, Xinyou [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Xie, Jing [Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA; Scott, Rebecca [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Gao, Eric [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ruscic, Branko [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA; Aquino, Adelia J. A. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, People’s Republic of China; Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Setser, Donald W. [Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Hase, William L. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH₃CN → HF + CH₂CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. In accord with experiment and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F-HCH₂CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST for the simulation. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH₂CN and then trapping in the CH₂CN-HF post-reaction potential energy well of ~10 kcal/mol with respect to the HF + CH₂CN products. In contrast to this IRC, five different trajectory types were observed, with the majority involving direct dissociation and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH₂CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. From the simulations and with an anharmonic zero-point energy constraint, the percentage partitioning of the product energy to relative translation, HF rotation, HF vibration, CH₂CN rotation and CH₂CN vibration is 5, 11, 60, 7, and 16%, respectively. In contrast the experimental energy partitioning percentages to HF rotation and vibration are 6 and 41%. Comparisons are made between the current simulation and those for other F + H

Co-intercalation of Mg(2+) and Na(+) in Na(0.69)Fe2(CN)6 as a High-Voltage Cathode for Magnesium Batteries.

Science.gov (United States)

Kim, Dong-Min; Kim, Youngjin; Arumugam, Durairaj; Woo, Sang Won; Jo, Yong Nam; Park, Min-Sik; Kim, Young-Jun; Choi, Nam-Soon; Lee, Kyu Tae

2016-04-06

Thanks to the advantages of low cost and good safety, magnesium metal batteries get the limelight as substituent for lithium ion batteries. However, the energy density of state-of-the-art magnesium batteries is not high enough because of their low operating potential; thus, it is necessary to improve the energy density by developing new high-voltage cathode materials. In this study, nanosized Berlin green Fe2(CN)6 and Prussian blue Na(0.69)Fe2(CN)6 are compared as high-voltage cathode materials for magnesium batteries. Interestingly, while Mg(2+) ions cannot be intercalated in Fe2(CN)6, Na(0.69)Fe2(CN)6 shows reversible intercalation and deintercalation of Mg(2+) ions, although they have the same crystal structure except for the presence of Na(+) ions. This phenomenon is attributed to the fact that Mg(2+) ions are more stable in Na(+)-containing Na(0.69)Fe2(CN)6 than in Na(+)-free Fe2(CN)6, indicating Na(+) ions in Na(0.69)Fe2(CN)6 plays a crucial role in stabilizing Mg(2+) ions. Na(0.69)Fe2(CN)6 delivers reversible capacity of approximately 70 mA h g(-1) at 3.0 V vs Mg/Mg(2+) and shows stable cycle performance over 35 cycles. Therefore, Prussian blue analogues are promising structures for high-voltage cathode materials in Mg batteries. Furthermore, this co-intercalation effect suggests new avenues for the development of cathode materials in hybrid magnesium batteries that use both Mg(2+) and Na(+) ions as charge carriers.

The Beckman-Quarles theorem for continuous mappings from R^n to C^n

OpenAIRE

Tyszka, Apoloniusz

2002-01-01

Let \\phi((x_1,...,x_n),(y_1,...,y_n))=(x_1-y_1)^2+...+(x_n-y_n)^2. We say that f:R^n -> C^n preserves distance d>=0 if for each x,y \\in R^n \\phi(x,y)=d^2 implies \\phi(f(x),f(y))=d^2. We prove that if x,y \\in R^n (n>=3) and |x-y|=(\\sqrt{2+2/n})^k \\cdot (2/n)^l (k,l are non-negative integers) then there exists a finite set {x,y} \\subseteq S(x,y) \\subseteq R^n such that each unit-distance preserving mapping from S(x,y) to C^n preserves the distance between x and y. It implies that each continuou...

Collision energy-resolved study of the emission cross-section and the Penning ionization cross-section in the reaction of BrCN with He*(2 3S)

Science.gov (United States)

Kanda, Kazuhiro; Yamakita, Yoshihiro; Ohno, Koichi

2001-12-01

The dissociative excitation of BrCN producing CN(B 2Σ +) fragment by the collision of He *(2 3S) was investigated by the collision energy-resolved electron and emission spectroscopy using time-of-flight method with a high-intensity He * beam. The Penning electrons ejected from BrCN and the subsequent CN ( B2Σ +- X2Σ +) emission were measured as a function of collision energy in the range of 90-180 meV. The formation of CN ( B2Σ +) is concluded to proceed dominantly via the promotion of an electron from Π-character orbital, by comparison between the collision energy dependence of the partial Penning ionization cross-sections and the CN ( B2Σ +- X2Σ +) emission cross-section.

A challenging task: cleaning and repairing at nuclear power plant ATUCHA I (CAN-I) the primary's moderators cooling circuits heat exchangers

International Nuclear Information System (INIS)

Amaya, D.; Alaniz, A.; Bernasconi, R.

2005-01-01

A set of automatic and semiautomatic machines and tools were designed for the accomplishment of remotely controlled works in high radiation fields on the ATUCHA-I moderator heat exchangers. The object of this equipment is to carry out works related to the cleaning, inspection and eventual blocking of the heat exchanger's tubes. Due to the special characteristics of the area, such as difficult access, not much space and high dose rates, the remote operation of highly trained and specialized personnel with specially designed tools, is mandatory. The Principal operations consist of: 1. Equipment manually taken to the area by specialized personnel. 2. Remote cutting the bolting and cutting and re-weld seals with custom designed equipment. 3. Remote cutting and re-weld piping connections with equipment on customized tracks, special supports, drives and commands. 4. Remote cleaning, leak testing, machining and plugging of the tube sheets with a custom-made master-slave/Cartesian robotic manipulators. 5. Monitoring with video cameras and lighting systems incorporated into the equipment. 6. Ands others task as piping stabilization, supporting and moving flanges, re-alignment of seals and pipes, etc. This paper describes the entire development of this project, starting from the initial work plan to the completion of the first on-site work carried out at the facility. Including descriptions, drawings and pictures of the custom designed equipment, description of the performed works and comparisons between the actual doses and estimated manual operation doses. (authors)

Commissioning of the laboratory of Atucha II NPP. Implementation and optimization of analytical techniques, quality aspects

International Nuclear Information System (INIS)

Schoenbrod, Betina; Quispe, Benjamin; Cattaneo, Alberto; Rodriguez, Ivanna; Chocron, Mauricio; Farias, Silvia

2012-09-01

Atucha II NPP is a Pressurized Vessel Heavy Water Reactor (PVHWR) of 740 MWe designed by SIEMENSKWU. After some years of delay, this NPP is in advanced construction state, being the beginning of commercial operation expected for 2013. Nucleoelectrica Argentina (N.A.S.A.) is the company in charge of the finalization of this project and the future operation of the plant. The Comision Nacional de Energia Atomica (C.N.E.A.) is the R and D nuclear institution in the country that, among many other topics, provides technical support to the stations. The Commissioning Chemistry Division of CNAII is in charge of the commissioning of the demineralization water plant and the organization of the chemical laboratory. The water plant started operating successfully in July 2010 and is providing the plant with nuclear grade purity water. Currently, in the conventional ('cold') laboratory several activities are taking place. On one hand, analytical techniques for the future operation of the plant are being tested and optimized. On the other hand, the laboratory is participating in the cleaning and conservation of the different components of the plant, providing technical support and the necessary analysis. To define the analytical techniques for the normal operation of the plant, the parameters to be measured and their range were established in the Chemistry Manual. The necessary equipment and reagents were bought. In this work, a summary of the analytical techniques that are being implemented and optimized is presented. Common anions (chloride, sulfate, fluoride, bromide and nitrate) are analyzed by ion chromatography. Cations, mainly sodium, are determined by absorption spectrometry. A UV-Vis spectrometer is used to determine silicates, iron, ammonia, DQO, total solids, true color and turbidity. TOC measurements are performed with a TOC analyzer. To optimize the methods, several parameters are evaluated: linearity, detection and quantification limits, precision and

Effects of C/N ratio on nitrous oxide production from nitrification in a laboratory-scale biological aerated filter reactor.

Science.gov (United States)

He, Qiang; Zhu, Yinying; Fan, Leilei; Ai, Hainan; Huangfu, Xiaoliu; Chen, Mei

2017-03-01

Emission of nitrous oxide (N 2 O) during biological wastewater treatment is of growing concern. This paper reports findings of the effects of carbon/nitrogen (C/N) ratio on N 2 O production rates in a laboratory-scale biological aerated filter (BAF) reactor, focusing on the biofilm during nitrification. Polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) and microelectrode technology were utilized to evaluate the mechanisms associated with N 2 O production during wastewater treatment using BAF. Results indicated that the ability of N 2 O emission in biofilm at C/N ratio of 2 was much stronger than at C/N ratios of 5 and 8. PCR-DGGE analysis showed that the microbial community structures differed completely after the acclimatization at tested C/N ratios (i.e., 2, 5, and 8). Measurements of critical parameters including dissolved oxygen, oxidation reduction potential, NH 4 + -N, NO 3 - -N, and NO 2 - -N also demonstrated that the internal micro-environment of the biofilm benefit N 2 O production. DNA analysis showed that Proteobacteria comprised the majority of the bacteria, which might mainly result in N 2 O emission. Based on these results, C/N ratio is one of the parameters that play an important role in the N 2 O emission from the BAF reactors during nitrification.

Computational investigation of the electronic and structural properties of CN radical on the pristine and Al-doped (6, 0) BN nanotubes

Energy Technology Data Exchange (ETDEWEB)

Soltani, Alireza, E-mail: alireza.soltani46@yahoo.com [Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Moradi, Ali Varasteh [Department of Chemistry, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Bahari, Mahsa [Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Masoodi, Anis [Department of Chemistry, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of); Shojaee, Shamim [Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan (Iran, Islamic Republic of)

2013-12-01

We have performed first-principle calculations to investigate the adsorption behavior of the CN radical (CåN) on the external surface of H-capped Al-doped (6, 0) zigzag single-walled BN nanotubes (BNNT). We calculated the bond length, gap energies, dipole moments, and electronic properties of the {sup ·}CN on the exterior surface of SWBNNT. Binding energy corresponding to the most stable configuration of CN radical on Al{sub N}-doped BNNT is found to be −471.73 kJ mol{sup −1}. The calculated density of states (DOS) reveals that there is a significant orbital hybridization between {sup ·}CN and Al-doping species in the adsorption process being evidence of an exothermic process. The results indicate that BNNT could be a suitable sensor.

Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

Science.gov (United States)

Garcia, Gustavo A; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H; Loison, Jean-Christophe

2017-07-07

We present the photoelectron spectroscopy of four radical species, CH x CN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH 3 CN (CH x CN + F → CH x-1 CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H 2 CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H 2 CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X + 1 A 1 ←X 2 B 1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN + , CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (Δ f H 298 0 (HCCN + (X 2 A ' ))=1517±12kJmol -1 ,Δ f H 298 0 (CCN(X 2 Π))=682±13kJmol -1 , and Δ f H 298 0 (CNC(X 2 Πg))=676±12kJmol -1 ), which are of fundamental importance for astrochemistry.

Design, test and start up of a cleaning system for the moderator tank bottom of Atucha I Nuclear Power Plant

International Nuclear Information System (INIS)

Duca, J.; Gerber, O.; Ibero, M.; Riga, N.

1989-01-01

In order to perform the cleaning of the moderator tank bottom, during the repair of the Atucha I nuclear power plant (CNA I) failure, the Empresa Nuclear Argentina de Centrales Electricas (ENACE S.A.) designed a system with the following requirements (asked by CNA I): a) To aspirate and retain free solid particles, uranium dioxide pellets and coolant channels isolations (foils) of minor size settled at the moderator tank bottom, being the reactor at middle loop state. b) To allow a radially cleaning up to 1.4 m from the extracted channel. c) To design a lay-out attaining the ALARA dose exposure. The designed system basically consists in: a) Flexible intake for suction: allows the movement inside the moderator tank and provides the adequate speed to raise the particles. b) Filter: retains the aspirated particles, pellets and foils. Its capacity is 1.8 dm 3 and the minimum size of retained particles is 200 m. The ALARA dose exposure concept is attained due to that the filter is located inside the moderator tank. c) Filtering column: contains the filter and allows the entrance of the extraction and exchange tool (for the flexible intake and filter). d) Suction hose: connects the filtering column with the pump. Its flexibility allows its use in any channel maintaining the same positions of the discharge pump and the return piping. e) Discharge pump: it is a canned centrifugal pump with low-low net positive suction head. f) Return piping: discharges the filtered water into the moderator tank. The system fulfilled satisfactorily all requirements during its operation. (Author)

Estimating Composite Curve Number Using an Improved SCS-CN Method with Remotely Sensed Variables in Guangzhou, China

OpenAIRE

Fan, Fenglei; Deng, Yingbin; Hu, Xuefei; Weng, Qihao

2013-01-01

The rainfall and runoff relationship becomes an intriguing issue as urbanization continues to evolve worldwide. In this paper, we developed a simulation model based on the soil conservation service curve number (SCS-CN) method to analyze the rainfall-runoff relationship in Guangzhou, a rapid growing metropolitan area in southern China. The SCS-CN method was initially developed by the Natural Resources Conservation Service (NRCS) of the United States Department of Agriculture (USDA), and is on...

Structure, tribological and electrochemical properties of low friction TiAlSiCN/MoSeC coatings

International Nuclear Information System (INIS)

Bondarev, A.V.; Kiryukhantsev-Korneev, Ph.V.; Sheveyko, A.N.; Shtansky, D.V.

2015-01-01

Highlights: • TiAlSiCN/MoSeC coatings for tribological applications. • Doping with MoSeC reduces friction coefficient in humid air from 0.8–0.9 to 0.05. • Doping with MoSeC increases wear resistance by one-two orders of magnitude. • TiAlSiCN/MoSeC coatings demonstrated low friction coefficient in distilled water. • TiAlSiCN/MoSeC coatings showed superior tribological properties at moderate temperatures. - Abstract: The present paper is focused on the development of hard tribological coatings with low friction coefficient (CoF) in different environments (humid air, distilled water) and at elevated temperatures. TiAlSiCN/MoSeC coatings were deposited by magnetron sputtering of four-segment targets consisting of quarter circle TiAlSiCN segments, obtained by self-propagating high-temperature synthesis, and one or two cold pressed segments made of MoSe 2 and C powders in a ratio 1:1 wt%. The structure and phase composition of coatings were investigated by means of X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy. The coatings were characterized in terms of their hardness, elastic modulus, and elastic recovery. The tribological properties of coatings were investigated first at room temperature against Al 2 O 3 and WC–Co balls, after which studied in distilled water and during continuous heating in air in the temperature range of 25–400 °C against Al 2 O 3 counterpart material. To evaluate their electrochemical characteristics, the coatings were tested in 1 N H 2 SO 4 solution. The obtained results show that the coating hardness depends on the amount of MoSeC additives and decreased from 40 to 28 (one MoSeC segment) and 12 GPa (two MoSeC segments). Doping with MoSeC resulted in a significant reduction of CoF values measured in humid air (RH 60 ± 5%) from 0.8–0.9 to 0.05 and an increase of wear resistance by one or two orders of magnitude depending on counterpart material. This was attributed

Structure, tribological and electrochemical properties of low friction TiAlSiCN/MoSeC coatings

Energy Technology Data Exchange (ETDEWEB)

Bondarev, A.V.; Kiryukhantsev-Korneev, Ph.V.; Sheveyko, A.N.; Shtansky, D.V., E-mail: shtansky@shs.misis.ru

2015-02-01

Highlights: • TiAlSiCN/MoSeC coatings for tribological applications. • Doping with MoSeC reduces friction coefficient in humid air from 0.8–0.9 to 0.05. • Doping with MoSeC increases wear resistance by one-two orders of magnitude. • TiAlSiCN/MoSeC coatings demonstrated low friction coefficient in distilled water. • TiAlSiCN/MoSeC coatings showed superior tribological properties at moderate temperatures. - Abstract: The present paper is focused on the development of hard tribological coatings with low friction coefficient (CoF) in different environments (humid air, distilled water) and at elevated temperatures. TiAlSiCN/MoSeC coatings were deposited by magnetron sputtering of four-segment targets consisting of quarter circle TiAlSiCN segments, obtained by self-propagating high-temperature synthesis, and one or two cold pressed segments made of MoSe{sub 2} and C powders in a ratio 1:1 wt%. The structure and phase composition of coatings were investigated by means of X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy. The coatings were characterized in terms of their hardness, elastic modulus, and elastic recovery. The tribological properties of coatings were investigated first at room temperature against Al{sub 2}O{sub 3} and WC–Co balls, after which studied in distilled water and during continuous heating in air in the temperature range of 25–400 °C against Al{sub 2}O{sub 3} counterpart material. To evaluate their electrochemical characteristics, the coatings were tested in 1 N H{sub 2}SO{sub 4} solution. The obtained results show that the coating hardness depends on the amount of MoSeC additives and decreased from 40 to 28 (one MoSeC segment) and 12 GPa (two MoSeC segments). Doping with MoSeC resulted in a significant reduction of CoF values measured in humid air (RH 60 ± 5%) from 0.8–0.9 to 0.05 and an increase of wear resistance by one or two orders of magnitude depending on

Effect of ryegrass (Lolium perenne L.) roots inoculation using different arbuscular mycorrhizal fungi (AMF) species on sorption of iron-cyanide (Fe-CN) complexes

Science.gov (United States)

Sut, Magdalena; Boldt-Burisch, Katja; Raab, Thomas

2016-04-01

Soils and groundwater on sites of the former Manufactured Gas Plants (MGPs) are contaminated with various complex iron-cyanides (Fe-CN). Phytoremediation is a promising tool in stabilization and remediation of Fe-CN affected soils, however, it can be a challenging task due to extreme adverse and toxic conditions. Phytoremediation may be enhanced via rhizosphere microbial activity, which can cooperate on the degradation, transformation and uptake of the contaminants. Recently, increasing number of scientist reports improved plants performance in the removal of toxic compounds with the support of arbuscular mycorrhizae fungi (AMF). Series of batch experiments using potassium hexacyanoferrate (II) solutions, in varying concentrations, were used to study the effect of ryegrass roots (Lolium perenne L.) inoculation with Rhizophagus irregularis and a mixture of Rhizophagus irregularis, Funneliformis mosseae, Rhizophagus aggregatus, and Claroideoglomus etunicatum on Fe-CN sorption. Results indicated significantly higher colonization of R. irregularis than for the mixture of AMF species on ryegrass roots. Sorption experiments revealed significantly higher reduction of total CN and free CN content in the mycorrhizal roots, indicating greater cyanide decrease in the treatment inoculated with R. irregularis. Our study indicates contribution of AM fungi in phytoremediation of Fe-CN contaminated soil.

Cooperative redox-active additives of anthraquinone-2,7-disulphonate and K4Fe(CN)6 for enhanced performance of active carbon-based capacitors

Science.gov (United States)

Tian, Ying; Liu, Ming; Che, Ruxing; Xue, Rong; Huang, Liping

2016-08-01

Two redox additives of anthraquinone-2,7-disulphonate (AQDS) and K4Fe(CN)6 are introduced into the neutral medium of KNO3 for enhanced performance of active carbon-based (AC) capacitor. The Faradaic redox reactions of AQ/H2AQ and Fe(CN)63-/Fe(CN)64- are diffusion-controlled and occurred on the negative electrode and the positive electrode respectively and simultaneously, resulting in the enhancement of specific capacitance, power density and energy density of 240 F g-1, 527 W kg-1 and 26.3 Wh kg-1, respectively at a current density of 1.0 A g-1 for a symmetric AC capacitor in the electrolyte of 1 M KNO3-0.017 M K4Fe(CN)6-0.017 M AQDS. These values are much higher than those in the controls of either 1 M KNO3-0.017 M K4Fe(CN)6 or 1 M KNO3-0.017 M AQDS with only one pair of redox additives. These results demonstrate the cooperative K4Fe(CN)6 and AQDS for enhanced performance of AC capacitor, and thus provide an alternative approach for efficient capacitors.

Effects of styrene unit on molecular conformation and spectral properties of CNsbnd PhCHdbnd NPhCHdbnd CHPhsbnd CN

Science.gov (United States)

Fang, Zhengjun; Wu, Feng; Jiao, Yingchun; Wang, Nanfang; Au, Chaktong; Cao, Chenzhong; Yi, Bing

2018-05-01

Compound CN-PhCH=NPhCH=CHPh-CN with both stilbene and benzylidene aniline units was synthesized, and studied from the viewpoint of molecular conformation and spectroscopic property by a combined use of experimental and computational methods. The maximum UV absorption wavelength (λmax) of the compound in ethanol, acetonitrile, chloroform and cyclohexane solvents were measured, and the 13C NMR chemical shift value δC(Cdbnd N) in chloroform-d was determined. The crystal structure of the compound was determined by X-ray diffraction. The frontier molecular orbital was calculated by density functional theory method. The results show that the UV absorption spectrum of the titled compound is similar to those of Schiff bases, while there is a larger red shift of λmax comparing to that of CN-PhCH=NPh-CN. Moreover, the molecular configuration of the titled compound relative to Cdbnd N is anti-form, having a more obvious twisted structure. The spectral and structural behaviors are further supported by the results of frontier molecular orbital analyses, NBO, electrostatic potentials and TD-DFT calculations. The study provides deeper insights into the molecular conformation of Schiff bases.

Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine2(CN2

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Kasper S. Kjær

2017-07-01

Full Text Available We have used femtosecond resolution UV-visible and Kβ x-ray emission spectroscopy to characterize the electronic excited state dynamics of [Fe(bpy2(CN2], where bpy=2,2′-bipyridine, initiated by metal-to-ligand charge transfer (MLCT excitation. The excited-state absorption in the transient UV-visible spectra, associated with the 2,2′-bipyridine radical anion, provides a robust marker for the MLCT excited state, while the transient Kβ x-ray emission spectra provide a clear measure of intermediate and high spin metal-centered excited states. From these measurements, we conclude that the MLCT state of [Fe(bpy2(CN2] undergoes ultrafast spin crossover to a metal-centered quintet excited state through a short lived metal-centered triplet transient species. These measurements of [Fe(bpy2(CN2] complement prior measurement performed on [Fe(bpy3]2+ and [Fe(bpy(CN4]2− in dimethylsulfoxide solution and help complete the chemical series [Fe(bpyN(CN6–2N]2N-4, where N = 1–3. The measurements confirm that simple ligand modifications can significantly change the relaxation pathways and excited state lifetimes and support the further investigation of light harvesting and photocatalytic applications of 3d transition metal complexes.

Electric dipole ordering in alkali-cyanides: NaCN and KCN

International Nuclear Information System (INIS)

Koiller, B.; Davidovich, M.A.; Carmo, L.C.S. do; Luety, F.

1983-01-01

A simple model for the low temperature electrically ordered state of NaCN and KCN is presented. The model takes into account electric dipole dressing effects which include cationic displacements determined experimentally. The ground state structure and the calculated values for the local electric fields are in fair agreement with experimental results. A parametrization for the elastic potencial confirms the plausibility of these model. (Author) [pt

Enhanced Rate Capability of Polymer-Derived SiCN Anode Material for Electrochemical Storage of Lithium with 3-D Carbon Nanotube Network Dispersed in Nanoscale.

Science.gov (United States)

Zhang, Junwei; Xu, Caihong; Liu, Zhaoping; Wang, Wei; Xin, Xing; Shen, Lu; Zhou, Xiaobing; Zhou, Jie; Huang, Qing

2015-04-01

Electrochemical performances of multi-walled carbon nanotubes (CNT)-SiCN composite have been investigated. The sample was synthesized by a simple ultrasonication assisted method combined with high-temperature pyrolysis and characterized by Fourier transform infrared spectra, Raman spectra, X-ray diffraction, field emission scanning electron microscopy and transmission electronic microscopy. In this composite, CNT were uniformly distributed in the SiCN ceramic matrix, it retained the structural integrity during the polymer-ceramic conversion and had a relatively strong bonding with the SiCN ceramic matrix. When tested as anode in the half cell, the obtained composite exhibited enhanced rate capability and cyclic capacity than that of pristine SiCN powder, CNT and graphite, it could supply a capacity of 222.7 mA h/g when charged at 2000 mA/g, while the SiCN anode showed nearly no capacity even at the low current density of 200 mA/g. It is expected that the CNT-SiCN composite, perhaps the series of CNT-PDC composites, may be prospective candidate for high power applications.

cn.MOPS: mixture of Poissons for discovering copy number variations in next-generation sequencing data with a low false discovery rate.

Science.gov (United States)

Klambauer, Günter; Schwarzbauer, Karin; Mayr, Andreas; Clevert, Djork-Arné; Mitterecker, Andreas; Bodenhofer, Ulrich; Hochreiter, Sepp

2012-05-01

Quantitative analyses of next-generation sequencing (NGS) data, such as the detection of copy number variations (CNVs), remain challenging. Current methods detect CNVs as changes in the depth of coverage along chromosomes. Technological or genomic variations in the depth of coverage thus lead to a high false discovery rate (FDR), even upon correction for GC content. In the context of association studies between CNVs and disease, a high FDR means many false CNVs, thereby decreasing the discovery power of the study after correction for multiple testing. We propose 'Copy Number estimation by a Mixture Of PoissonS' (cn.MOPS), a data processing pipeline for CNV detection in NGS data. In contrast to previous approaches, cn.MOPS incorporates modeling of depths of coverage across samples at each genomic position. Therefore, cn.MOPS is not affected by read count variations along chromosomes. Using a Bayesian approach, cn.MOPS decomposes variations in the depth of coverage across samples into integer copy numbers and noise by means of its mixture components and Poisson distributions, respectively. The noise estimate allows for reducing the FDR by filtering out detections having high noise that are likely to be false detections. We compared cn.MOPS with the five most popular methods for CNV detection in NGS data using four benchmark datasets: (i) simulated data, (ii) NGS data from a male HapMap individual with implanted CNVs from the X chromosome, (iii) data from HapMap individuals with known CNVs, (iv) high coverage data from the 1000 Genomes Project. cn.MOPS outperformed its five competitors in terms of precision (1-FDR) and recall for both gains and losses in all benchmark data sets. The software cn.MOPS is publicly available as an R package at http://www.bioinf.jku.at/software/cnmops/ and at Bioconductor.

Sorghum phytochrome B inhibits flowering in long days by activating expression of SbPRR37 and SbGHD7, repressors of SbEHD1, SbCN8 and SbCN12.

Directory of Open Access Journals (Sweden)

Shanshan Yang

Full Text Available Light signaling by phytochrome B in long days inhibits flowering in sorghum by increasing expression of the long day floral repressors PSEUDORESPONSE REGULATOR PROTEIN (SbPRR37, Ma1 and GRAIN NUMBER, PLANT HEIGHT AND HEADING DATE 7 (SbGHD7, Ma6. SbPRR37 and SbGHD7 RNA abundance peaks in the morning and in the evening of long days through coordinate regulation by light and output from the circadian clock. 58 M, a phytochrome B deficient (phyB-1, ma3R genotype, flowered ∼60 days earlier than 100 M (PHYB, Ma3 in long days and ∼11 days earlier in short days. Populations derived from 58 M (Ma1, ma3R, Ma5, ma6 and R.07007 (Ma1, Ma3, ma5, Ma6 varied in flowering time due to QTL aligned to PHYB/phyB-1 (Ma3, Ma5, and GHD7/ghd7-1 (Ma6. PHYC was proposed as a candidate gene for Ma5 based on alignment and allelic variation. PHYB and Ma5 (PHYC were epistatic to Ma1 and Ma6 and progeny recessive for either gene flowered early in long days. Light signaling mediated by PhyB was required for high expression of the floral repressors SbPRR37 and SbGHD7 during the evening of long days. In 100 M (PHYB the floral activators SbEHD1, SbCN8 and SbCN12 were repressed in long days and de-repressed in short days. In 58 M (phyB-1 these genes were highly expressed in long and short days. Furthermore, SbCN15, the ortholog of rice Hd3a (FT, is expressed at low levels in 100 M but at high levels in 58 M (phyB-1 regardless of day length, indicating that PhyB regulation of SbCN15 expression may modify flowering time in a photoperiod-insensitive manner.

Copper (I) Selenocyanate (CuSeCN) as a Novel Hole-Transport Layer for Transistors, Organic Solar Cells, and Light-Emitting Diodes

KAUST Repository

Wijeyasinghe, Nilushi; Tsetseris, Leonidas; Regoutz, Anna; Sit, Wai-Yu; Fei, Zhuping; Du, Tian; Wang, Xuhua; McLachlan, Martyn A.; Vourlias, George; Patsalas, Panos A.; Payne, David J.; Heeney, Martin; Anthopoulos, Thomas D.

2018-01-01

The synthesis and characterization of copper (I) selenocyanate (CuSeCN) and its application as a solution-processable hole-transport layer (HTL) material in transistors, organic light-emitting diodes, and solar cells are reported. Density-functional theory calculations combined with X-ray photoelectron spectroscopy are used to elucidate the electronic band structure, density of states, and microstructure of CuSeCN. Solution-processed layers are found to be nanocrystalline and optically transparent (>94%), due to the large bandgap of ≥3.1 eV, with a valence band maximum located at −5.1 eV. Hole-transport analysis performed using field-effect measurements confirms the p-type character of CuSeCN yielding a hole mobility of 0.002 cm2 V−1 s−1. When CuSeCN is incorporated as the HTL material in organic light-emitting diodes and organic solar cells, the resulting devices exhibit comparable or improved performance to control devices based on commercially available poly(3,4-ethylenedioxythiophene):polystyrene sulfonate as the HTL. This is the first report on the semiconducting character of CuSeCN and it highlights the tremendous potential for further developments in the area of metal pseudohalides.

Copper (I) Selenocyanate (CuSeCN) as a Novel Hole-Transport Layer for Transistors, Organic Solar Cells, and Light-Emitting Diodes

KAUST Repository

Wijeyasinghe, Nilushi

2018-02-01

The synthesis and characterization of copper (I) selenocyanate (CuSeCN) and its application as a solution-processable hole-transport layer (HTL) material in transistors, organic light-emitting diodes, and solar cells are reported. Density-functional theory calculations combined with X-ray photoelectron spectroscopy are used to elucidate the electronic band structure, density of states, and microstructure of CuSeCN. Solution-processed layers are found to be nanocrystalline and optically transparent (>94%), due to the large bandgap of ≥3.1 eV, with a valence band maximum located at −5.1 eV. Hole-transport analysis performed using field-effect measurements confirms the p-type character of CuSeCN yielding a hole mobility of 0.002 cm2 V−1 s−1. When CuSeCN is incorporated as the HTL material in organic light-emitting diodes and organic solar cells, the resulting devices exhibit comparable or improved performance to control devices based on commercially available poly(3,4-ethylenedioxythiophene):polystyrene sulfonate as the HTL. This is the first report on the semiconducting character of CuSeCN and it highlights the tremendous potential for further developments in the area of metal pseudohalides.

Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN2 and C2Cl6

International Nuclear Information System (INIS)

Pang Linlin; Bi Jianqiang; Bai Yujun; Qi Yongxin; Zhu Huiling; Wang Chengguo; Wu Jiwei; Lu Chengwei

2008-01-01

Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN 2 and C 2 Cl 6 . X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C≡N peak in the infrared spectra, further verify the formation of graphite-like sp 2 -bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N

Engine Performance Test of the 1975 Chrysler - Nissan Model CN633 Diesel Engine

Science.gov (United States)

1975-09-01

An engine test of the Chrysler-Nissan Model CN633 diesel engine was performed to determine its steady-state fuel consumption and emissions (HC, CO, NOx) maps. The data acquired are summarized in this report.

On the development of a coupled regional climate-vegetation model RCM-CLM-CN-DV and its validation in Tropical Africa

Science.gov (United States)

Wang, Guiling; Yu, Miao; Pal, Jeremy S.; Mei, Rui; Bonan, Gordon B.; Levis, Samuel; Thornton, Peter E.

2016-01-01

This paper presents a regional climate system model RCM-CLM-CN-DV and its validation over Tropical Africa. The model development involves the initial coupling between the ICTP regional climate model RegCM4.3.4 (RCM) and the Community Land Model version 4 (CLM4) including models of carbon-nitrogen dynamics (CN) and vegetation dynamics (DV), and further improvements of the models. Model improvements derive from the new parameterization from CLM4.5 that addresses the well documented overestimation of gross primary production (GPP), a refinement of stress deciduous phenology scheme in CN that addresses a spurious LAI fluctuation for drought-deciduous plants, and the incorporation of a survival rule into the DV model to prevent tropical broadleaf evergreens trees from growing in areas with a prolonged drought season. The impact of the modifications on model results is documented based on numerical experiments using various subcomponents of the model. The performance of the coupled model is then validated against observational data based on three configurations with increasing capacity: RCM-CLM with prescribed leaf area index and fractional coverage of different plant functional types (PFTs); RCM-CLM-CN with prescribed PFTs coverage but prognostic plant phenology; RCM-CLM-CN-DV in which both the plant phenology and PFTs coverage are simulated by the model. Results from these three models are compared against the FLUXNET up-scaled GPP and ET data, LAI and PFT coverages from remote sensing data including MODIS and GIMMS, University of Delaware precipitation and temperature data, and surface radiation data from MVIRI and SRB. Our results indicate that the models perform well in reproducing the physical climate and surface radiative budgets in the domain of interest. However, PFTs coverage is significantly underestimated by the model over arid and semi-arid regions of Tropical Africa, caused by an underestimation of LAI in these regions by the CN model that gets exacerbated

Biogas Improvement by Adding Australian Zeolite During the Anaerobic Digestion of C:N Ratio Adjusted Swine Manure

DEFF Research Database (Denmark)

Wijesinghe, D. Thushari N.; Dassanayake, Kithsiri B.; Sommer, Sven G.

2018-01-01

Abstract: Maintenance of the ideal carbon: nitrogen (C:N) ratio with a minimum level of TAN is a key challenge for achieving maximum potential CH4 production through the anaerobic digestion process of agricultural waste such as swine manure. Biogas production can be enhanced by adding zeolite...... into the anaerobic digestion medium. However, the effects of zeolite addition to C:N ratio adjusted feedstock, on the digester performance is unknown. The objectives of this study were to investigate the effect of Australian zeolite on anaerobic digestion of swine manure with a C:N ratio adjusted to 30...... and to determine the optimal zeolite application rate to achieve the best performance. The Australian zeolite significantly enhanced CH4 production and reduced the lag phase of anaerobic digestion in batch production. The optimal addition rate of zeolite was appeared to be around 40 g/L. The better digester...

Nursery Culture Performance of Litopenaeus vannamei with Probiotics Addition and Different C/N Ratio Under Laboratory Condition

Directory of Open Access Journals (Sweden)

WIDANARNI

2010-09-01

Full Text Available Application of bioflocs technology and probiotics has improved water quality and production of Pacific white shrimp (Litopenaeus vannamei culture. This experiment was to verify the effect of probiotic bacteria addition and different carbon:nitrogen (C:N ratio on water quality and performance of Pacific white shrimp nursery culture. Nursery culture was carried out for 25 days in an aquarium under laboratory condition with stock density of one Post-Larvae (PL (poslarval per liter (24 PL/aquarium of PL16 shrimp. Different C:N ratio resulted a significant difference on shrimp production performance. Treatment of 10 C:N ratio demonstrated the best shrimp growth (20.37 + 0.48% per day in weight and 6.05 + 0.41% per day in length, harvesting yield (1180 + 62 g/m3 and feed efficiency (121 + 6%. There was however no significant difference observed between treatments in water quality.

Nursery Culture Performance of Litopenaeus vannamei with Probiotics Addition and Different C/N Ratio Under Laboratory Condition

Directory of Open Access Journals (Sweden)

WIDANARNI

2010-09-01

Full Text Available Application of bioflocs technology and probiotics has improved water quality and production of Pacific white shrimp (Litopenaeus vannamei culture. This experiment was to verify the effect of probiotic bacteria addition and different carbon:nitrogen (C:N ratio on water quality and performance of Pacific white shrimp nursery culture. Nursery culture was carried out for 25 days in an aquarium under laboratory condition with stock density of one Post-Larvae (PL (poslarval per liter (24 PL/aquarium of PL16 shrimp. Different C:N ratio resulted a significant difference on shrimp production performance. Treatment of 10 C:N ratio demonstrated the best shrimp growth (20.37 ± 0.48% per day in weight and 6.05 ± 0.41% per day in length, harvesting yield (1180 ± 62 g/m3 and feed efficiency (121 ± 6%. There was however no significant difference observed between treatments in water quality.

Influence of trimethylsilane flow on the microstructure, mechanical and tribological properties of CrSiCN coatings in water lubrication

Science.gov (United States)

Wu, Zhiwei; Zhou, Fei; Wang, Qianzhi; Zhou, Zhifeng; Yan, Jiwang; Li, Lawrence Kwok-Yan

2015-11-01

CrSiCN coatings with different silicon and carbon contents were deposited on silicon wafers and 316L stainless steels using unbalanced magnetron sputtering via adjusting trimethylsilane (TMS) flow, and their microstructure and mechanical properties were characterized by X-ray diffraction (XRD), scanning electron microscopy(SEM), X-ray photoelectrons spectroscopy(XPS) and nano-indenter, respectively. The tribological properties of CrSiCN coatings sliding against SiC balls in water were investigated using ball-on-disk tribometer. The results showed that the CrSiCN coatings had fine composite microstructure consisting of nanocrystallites of Cr(C, N) crystal and amorphous phases such as a-Si3N4 and a-C(a-CNx). The typical columnar structures changed from fine cluster to coarse ones when the Si content was beyond 3.4 at.%. With an increase in the TMS flow, the hardness and Young's modulus of Corsican coatings all first increased, and then rapidly decreased, but the compressive stress in the coatings varied in the range of 2.8-4.8 GPa. When the TMS flow was 10 sccm, the CrSiCN coatings exhibited the highest hardness of 21.3 GPa and the lowest friction coefficient (0.11) and wear rate (8.4 × 10-8 mm3/N m). But when the TMS flow was beyond 15 sccm, the tribological properties of CrSiCN coatings in water became poor.

Elucidation of C{sub 2} and CN formation mechanisms in laser-induced plasmas through correlation analysis of carbon isotopic ratio

Energy Technology Data Exchange (ETDEWEB)

Dong, Meirong [School of Electric Power, South China University of Technology, Guangzhou, Guangdong 510640 (China); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Chan, George C.-Y.; Mao, Xianglei; Gonzalez, Jhanis J. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lu, Jidong [School of Electric Power, South China University of Technology, Guangzhou, Guangdong 510640 (China); Russo, Richard E., E-mail: RERusso@lbl.gov [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

2014-10-01

Laser ablation molecular isotopic spectrometry (LAMIS) was recently reported for rapid isotopic analysis by measuring molecular emission from laser-induced plasmas at atmospheric pressure. With {sup 13}C-labeled benzoic acid as a model sample, this research utilized the LAMIS approach to clarify the formation mechanisms of C{sub 2} and CN molecules during laser ablation of organic materials. Because the isotopic ratios in the molecular bands could deviate from statistical distribution depending on their formation pathways, the dominant mechanism can be identified through a comparison of the experimental observed isotopic patterns in the molecular emission with the theoretical statistical pattern. For C{sub 2} formation, the experimental {sup 12}C{sup 12}C/{sup 13}C{sup 12}C ratios not only support a recombination mechanism through atomic carbon at early delay time but also indicate the presence of other operating mechanisms as the plasma evolves; it is proposed that some of the C{sub 2} molecules are released directly from the aromatic ring of the sample as molecular fragments. In contrast, the temporal profiles in the {sup 12}C/{sup 13}C ratios derived from CN emission exhibited opposite behavior with those derived from C{sub 2} emission, which unambiguously refutes mechanisms that require C{sub 2} as a precursor for CN formation; CN formation likely involves atomic carbon or species with a single carbon atom. - Highlights: • C{sub 2} and CN formation mechanisms during laser ablation of organic material studied • Some C{sub 2} molecules are directly desorbed from the organic compound. • C{sub 2} molecules are not important precursor for CN-radical formation.

Dissociative adsorption of environment-friendly insulating medium C3F7CN on Cu(111) and Al(111) surface: A theoretical evaluation

Science.gov (United States)

Zhang, Xiaoxing; Li, Yi; Chen, Dachang; Xiao, Song; Tian, Shuangshuang; Tang, Ju; Wang, Dibo

2018-03-01

SF6 is extensively used in electrical applications because of its excellent insulation and arc extinguishing performance, but its strong greenhouse effect has negative impact on the atmosphere. The excellent performance of C3F7CN in greenhouse effect, insulation ability, safety, and thermal stability has been demonstrated, indicating that this compound can replace SF6 in electrical applications. However, little information is available on the compatibility of C3F7CN with metals, such as copper and aluminum, in devices. Material compatibility between new gas mixtures and materials used in Gas Insulated Switchgear (GIS) should be investigated to determine the long-term behavior of materials. In this paper, dissociative adsorption of C3F7CN on Cu (1 1 1) and Al (1 1 1) surfaces were analyzed based on density functional theory. Adsorption energy, charge transfer, density of states, and electron density difference of interaction between C3F7CN and two metals were analyzed. It was found that the adsorption energy of C3F7CN adsorbed on Cu (1 1 1) and Al (1 1 1) is both below 0.8 eV. This value indicates that the interaction between them is not very strong. In addition, the dissociation reaction path of gas molecules after adsorption requires certain activation energy. Therefore, C3F7CN and copper or aluminum have certain compatibility and the compatibility of C3F7CN with aluminum is better than that of copper. Related results provide a reference for predicting the aging mechanism of equipment and the selection or modification of major materials for equipment.

New solar carbon abundance based on non-LTE CN molecular spectra

International Nuclear Information System (INIS)

Mount, G.H.; Linsky, J.L.

1975-01-01

A detailed non-LTE analysis of solar CN spectra strongly suggests a revised carbon abundance for the Sun. A value of log A/subc/=8.35plus-or-minus0.15 which is significantly lower than the presently accepted value of log A/subc/=8.55 is suggested. This revision may have important consequences in astrophysics

Ash content, carbon and C/N ratio in paricá in function of NPK fertilization

Directory of Open Access Journals (Sweden)

CRISTIANE R. VIEIRA

2018-02-01

Full Text Available ABSTRACT Fertilization in areas of forest plantations is needed to supplement plants´ nutritional needs until harvest. An experiment was performed to check the influence of fertilization on levels of ash, carbon and C/N relation in Schizolobium amazonicum. Soil liming was performed and fertilization occurred after 15 days of incubation. S. amazonicum seedlings were produced and submitted to fertilization with N, P and K: N = 0, 40, 80 and 120 kg ha-1; P2O5 = 0, 50, 100 and 200 kg ha-1; K2O = 0, 50, 100 and 200 kg ha-1. The plants were measured after 180 days. The seedlings of 20 treatments with the highest increase in height and diameter were transplanted to the field. Soil was fertilized and limestone was spread; seedlings were distributed into randomized blocks, with six replications. After 12 months, the plants were removed to determine ash, organic carbon, C/N relation contents. The ashes were submitted to digestion to determine nutrient concentrations. Fertilization influenced the levels of ash and organic carbon and C/N relation in S. amazonicum. Results indicate that the species has a potential for energy production.

Ash content, carbon and C/N ratio in paricá in function of NPK fertilization.

Science.gov (United States)

Vieira, Cristiane R; Weber, Oscarlina L S; Scaramuzza, José Fernando

2018-01-01

Fertilization in areas of forest plantations is needed to supplement plants´ nutritional needs until harvest. An experiment was performed to check the influence of fertilization on levels of ash, carbon and C/N relation in Schizolobium amazonicum. Soil liming was performed and fertilization occurred after 15 days of incubation. S. amazonicum seedlings were produced and submitted to fertilization with N, P and K: N = 0, 40, 80 and 120 kg ha-1; P2O5 = 0, 50, 100 and 200 kg ha-1; K2O = 0, 50, 100 and 200 kg ha-1. The plants were measured after 180 days. The seedlings of 20 treatments with the highest increase in height and diameter were transplanted to the field. Soil was fertilized and limestone was spread; seedlings were distributed into randomized blocks, with six replications. After 12 months, the plants were removed to determine ash, organic carbon, C/N relation contents. The ashes were submitted to digestion to determine nutrient concentrations. Fertilization influenced the levels of ash and organic carbon and C/N relation in S. amazonicum. Results indicate that the species has a potential for energy production.

Solvent acting as a precursor: Synthesis of AgCN from AgNO_3 in N, N-DMF solvent by laser ablation

International Nuclear Information System (INIS)

Lee, Seulki; Jung, Hyeon Jin; Choi, Myong Yong; Choi, Hyun Chul; Hwang, Yu Sik

2017-01-01

Metal cyanides are of considerable interest owing to their commercial importance. For example, AuCN and AgCN are used in mining, electroplating, and photography. However, many typical methods for the synthesis of metal cyanides mostly use cyanide ions, toxic anions, and it can induce many health problems, especially in the vascular, visual, central nervous, cardiac, endocrine, and metabolic systems. It is known that 0.5–3.5 mg of cyanide/kg of body weight is fatal for humans. Thus, highly sensitive and selective detections of cyanide ions have been extensively studied for many years. In recent years, many studies have been actively conducted on the generation of metal nanoparticles or carbon compounds in organic solvents by a pulsed laser ablation in liquid (PLAL) method. There are several advantages of using this “simple and clean” synthesis, PLAL. One of them includes that the final product is usually obtained without any by-products, meaning that no further purification is needed and it is environmentally friendly. Other advantages are relatively low cost in the experimental setups and the experimental parameters can be easily controlled. Furthermore, the extremely confined conditions induced by PLAL, such as high temperature and pressure, favor the formation of unusual metastable phases. Thus, the synthesis of metastable materials, e.g., hexagonal close-packed Ni nanoparticles and anatase TiO2, has been accomplished easily compared with the conventional wet-chemical synthesis

Multimodel simulations of forest harvesting effects on long‐term productivity and CN cycling in aspen forests.

Science.gov (United States)

Wang, Fugui; Mladenoff, David J; Forrester, Jodi A; Blanco, Juan A; Schelle, Robert M; Peckham, Scott D; Keough, Cindy; Lucash, Melissa S; Gower, Stith T

The effects of forest management on soil carbon (C) and nitrogen (N) dynamics vary by harvest type and species. We simulated long-term effects of bole-only harvesting of aspen (Populus tremuloides) on stand productivity and interaction of CN cycles with a multiple model approach. Five models, Biome-BGC, CENTURY, FORECAST, LANDIS-II with Century-based soil dynamics, and PnET-CN, were run for 350 yr with seven harvesting events on nutrient-poor, sandy soils representing northwestern Wisconsin, United States. Twenty CN state and flux variables were summarized from the models' outputs and statistically analyzed using ordination and variance analysis methods. The multiple models' averages suggest that bole-only harvest would not significantly affect long-term site productivity of aspen, though declines in soil organic matter and soil N were significant. Along with direct N removal by harvesting, extensive leaching after harvesting before canopy closure was another major cause of N depletion. These five models were notably different in output values of the 20 variables examined, although there were some similarities for certain variables. PnET-CN produced unique results for every variable, and CENTURY showed fewer outliers and similar temporal patterns to the mean of all models. In general, we demonstrated that when there are no site-specific data for fine-scale calibration and evaluation of a single model, the multiple model approach may be a more robust approach for long-term simulations. In addition, multimodeling may also improve the calibration and evaluation of an individual model.

Criticality and shielding calculations of an interim dry storage system for the spent fuel from Atucha I Nuclear Power Plant

International Nuclear Information System (INIS)

Silva, M

2006-01-01

The Atucha I Nuclear Power Plant (CNA-I) has enough room to store its spent fuel (SF) in damp in its two pool houses until the middle of 2015.Before that date there is the need to have an interim dry storage system for spent fuel that would make possible to empty at least one of the pools, whether to keep the plant operating if its useful life is extended, or to be able to empty the reactor core in case of decommissioning.Nucleolectrica Argentina S.A. (NA-SA) and the Comision Nacional de Energia Atomica (CNEA), due to their joint responsibility in the management of the SF, have proposed interim dry storage systems.These systems have to be evaluated in order to choose one of them by the end of 2006.In this work the Monte Carlo code MCNP was used to make the criticality and shielding calculations corresponding to the model proposed by CNEA.This model suggests the store of sealed containers with 36 or 37 SF in concrete modules.Each one of the containers is filled in the pool houses and transported to the module in a transference cask with lead walls.The results of the criticality calculations indicates that the solutions of SF proposed have widely fulfilled the requirements of subcriticality, even in supposed extreme accidental situations.Regarding the transference cask, the SF dose rate estimations allow us to make a feedback for the design aiming to the geometry and shielding improvements.Regarding the store modules, thicknesses ranges of concrete walls are suggested in order to fulfill the dose requirements stated by the Autoridad Regulatoria Nuclear Argentina [es

Electrocatalytic oxidation of K₄[Fe(CN)₆] by metal-reducing bacteriumShewanella oneidensis MR-1

DEFF Research Database (Denmark)

Zheng, Zhiyong; Xiao, Yong; Wu, Ranran

2017-01-01

of an inorganic redox compound K4[Fe(CN)6]. A pair of symmetric peak in the cyclic voltammetry (CV) of K4[Fe(CN)6] were found on bare glassy carbon electrode (GCE). Surprisingly, when the GCE is coated MR-1, the anodic peak almost sustained at the same level; while the cathodic peak apparently shrunk. We...

Fabrication of nano-scaled polymer-derived SiAlCN ceramic components using focused ion beam

Science.gov (United States)

Tian, Ye; Shao, Gang; Wang, Xingwei; An, Linan

2013-09-01

Fully dense polymer-derived amorphous silicoaluminum carbonitride (SiAlCN) ceramics were synthesized from polysilazane as preceramic precursors followed by a thermal decomposition process. The nanofabrication of amorphous SiAlCN ceramics was implemented with a focused ion beam (FIB). FIB conditions such as the milling rate, the beam current, and the number of passes were considered. It was found that nanopatterns with a feature size of less than 100 nm could be fabricated onto polymer-derived ceramics (PDCs) precisely and quickly. Specific nanostructures of thin walls, nozzle, and gear have been fabricated as demonstrations, indicating that the FIB technique was a promising method to realize nanostructures on PDCs, especially for microelectromechanical system and micro/nano-sensor applications.

Fabrication of nano-scaled polymer-derived SiAlCN ceramic components using focused ion beam

International Nuclear Information System (INIS)

Tian, Ye; Wang, Xingwei; Shao, Gang; An, Linan

2013-01-01

Fully dense polymer-derived amorphous silicoaluminum carbonitride (SiAlCN) ceramics were synthesized from polysilazane as preceramic precursors followed by a thermal decomposition process. The nanofabrication of amorphous SiAlCN ceramics was implemented with a focused ion beam (FIB). FIB conditions such as the milling rate, the beam current, and the number of passes were considered. It was found that nanopatterns with a feature size of less than 100 nm could be fabricated onto polymer-derived ceramics (PDCs) precisely and quickly. Specific nanostructures of thin walls, nozzle, and gear have been fabricated as demonstrations, indicating that the FIB technique was a promising method to realize nanostructures on PDCs, especially for microelectromechanical system and micro/nano-sensor applications. (paper)

Near-infrared Spectroscopic Observations of Comet C/2013 R1 (Lovejoy) by WINERED: CN Red-system Band Emission

Energy Technology Data Exchange (ETDEWEB)

Shinnaka, Yoshiharu; Yasui, Chikako; Izumi, Natsuko [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Kawakita, Hideyo; Kondo, Sohei; Ikeda, Yuji; Kobayashi, Naoto; Hamano, Satoshi; Sameshima, Hiroaki; Fukue, Kei; Matsunaga, Noriyuki; Otsubo, Shogo; Takenaka, Keiichi; Watase, Ayaka; Kawanishi, Takafumi; Nakanishi, Kenshi; Nakaoka, Tetsuya [Laboratory of Infrared High-resolution Spectroscopy, Koyama Astronomical Observatory, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Mizumoto, Misaki, E-mail: yoshiharu.shinnaka@nao.ac.jp, E-mail: kawakthd@cc.kyoto-su.ac.jp [Department of Astronomy, School of Science, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan)

2017-08-01

Although high-resolution spectra of the CN red-system band are considered useful in cometary sciences, e.g., in the study of isotopic ratios of carbon and nitrogen in cometary volatiles, there have been few reports to date due to the lack of high-resolution ( R  ≡  λ /Δ λ  > 20,000) spectrographs in the near-infrared region around ∼1 μ m. Here, we present the high-resolution emission spectrum of the CN red-system band in comet C/2013 R1 (Lovejoy), acquired by the near-infrared high-resolution spectrograph WINERED mounted on the 1.3 m Araki telescope at the Koyama Astronomical Observatory, Kyoto, Japan. We applied our fluorescence excitation models for CN, based on modern spectroscopic studies, to the observed spectrum of comet C/2013 R1 (Lovejoy) to search for CN isotopologues ({sup 13}C{sup 14}N and {sup 12}C{sup 15}N). We used a CN fluorescence excitation model involving both a “pure” fluorescence excitation model for the outer coma and a “fully collisional” fluorescence excitation model for the inner coma region. Our emission model could reproduce the observed {sup 12}C{sup 14}N red-system band of comet C/2013 R1 (Lovejoy). The derived mixing ratio between the two excitation models was 0.94(+0.02/−0.03):0.06(+0.03/−0.02), corresponding to the radius of the collision-dominant region of ∼800–1600 km from the nucleus. No isotopologues were detected. The observed spectrum is consistent, within error, with previous estimates in comets of {sup 12}C/{sup 13}C (∼90) and {sup 14}N/{sup 15}N (∼150).

Electrochemical performance of DVB-modified SiOC and SiCN polymer-derived negative electrodes for lithium-ion batteries

International Nuclear Information System (INIS)

Liu, Guanwei; Kaspar, Jan; Reinold, Lukas Mirko; Graczyk-Zajac, Magdalena; Riedel, Ralf

2013-01-01

Highlights: • Polymer-derived SiCN and SiOC ceramics are studied as anode for Li-ion batteries. • Ceramic precursors are modified in order to increase the carbon content. • Ceramic matrix stabilizes free carbon phase. • Stabilizing role is lost once the amount of carbon exceeds a threshold value. -- Abstract: Chemical modification of commercially available polyorganosilazane (HTT1800) and polyorganosiloxane (Polyramic RD-684a) with divinylbenzene (DVB) is accomplished via hydrosilylation reaction. The incorporation of DVB leads to an increase of the free carbon amount after pyrolysis within the corresponding SiCN and SiOC ceramics. The modification is carried out with lower, equal and higher stoichiometric ratios of the Si-H to C=C groups present in the Si-based polymer and DVB. FTIR results indicate a complete consumption of the Si-H bonds in the case of the stoichiometric amount of DVB and polymer RD-684a, while for HTT1800 neither the stoichiometric ratio nor DVB excess leads to a complete consumption of the Si-H groups. For both SiCN and SiOC ceramics the carbon content is found to increase with the amount of DVB. However, the most significant increase in free carbon content is registered for SiCN samples, namely of ca. 40%. The carbon content changed from 9.9 wt.% in the pure HTT1800-derived material up to 49.3 wt.% for the SiCN ceramic obtained with the highest amount of DVB addition. Accordingly, Li-ion storage and therefore charge storage capacity are simultaneously increased, for the first cycle from 136 to 574 mAh g −1 , while columbic efficiency is raised by 10% up to 60.4%

Lithium dynamics in carbon-rich polymer-derived SiCN ceramics probed by nuclear magnetic resonance

Science.gov (United States)

Baek, Seung-Ho; Reinold, Lukas Mirko; Graczyk-Zajac, Magdalena; Riedel, Ralf; Hammerath, Franziska; Büchner, Bernd; Grafe, Hans-Joachim

2014-05-01

We report 7Li, 29Si, and 13C NMR studies of two different carbon-rich SiCN ceramics SiCN-1 and SiCN-3 derived from the preceramic polymers polyphenylvinylsilylcarbodiimide and polyphenylvinylsilazane, respectively. From the spectral analysis of the three nuclei, we find that only the 13C spectrum is strongly influenced by Li insertion/extraction, suggesting that carbon phases are the major electrochemically active sites for Li storage. Temperature (T) and Larmor frequency (ωL) dependences of the 7Li linewidth and spin-lattice relaxation rates T1-1 are described by an activated law with the activation energy EA of 0.31 eV and the correlation time τ0 in the high temperature limit of 1.3 ps. The 3 / 2 power law dependence of T1-1 on ωL which deviates from the standard Bloembergen, Purcell, and Pound (BPP) model implies that the Li motion on the μs timescale is governed by continuum diffusion mechanism rather than jump diffusion. On the other hand, the rotating frame relaxation rate T1ρ-1 results suggest that the slow motion of Li on the ms timescale may be affected by complex diffusion and/or non-diffusion processes.

Spent fuel management of NPPs in Argentina

International Nuclear Information System (INIS)

Alvarez, D.E.; Lee Gonzalez, H.M.

2010-01-01

There are two Nuclear Power Plants in operation in Argentina: 'Atucha I' (unique PHWR design) in operation since 1974, and 'Embalse' (typical Candu reactor) which started operation in 1984. Both NPPs are operated by 'Nucleoelectrica Argentina S.A' which is responsible for the management and interim storage of spent fuel till the end of the operative life of the plants. A third NPP, 'Atucha II' is under construction, with a similar design of Atucha I. The legislative framework establishes that after final shutdown of a NPP the spent fuel will be transferred to the 'National Atomic Energy Commission', which is also responsible for the decommissioning of the Plants. In Atucha I, the spent fuel is stored underwater, until another option is implemented meanwhile in Embalse the spent fuel is stored during six years in pools and then it is moved to a dry storage. A decision about the fuel cycle back-end strategy will be taken before year 2030. (authors)

Synthesis and single-crystal structure of the pseudo-ternary compounds LiA[N(CN){sub 2}]{sub 2} (A = K or Rb)

Energy Technology Data Exchange (ETDEWEB)

Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

2016-04-01

Crystals of LiA[N(CN){sub 2}]{sub 2} were obtained from the reaction of LiCl and ACl (A = K or Rb) with Ag[N(CN){sub 2}] in water and subsequent evaporation of the filtered solution at 80 C under normal atmospheric conditions. Crystals of the title compound form thin rectangular plates that are transparent, colorless, and very fragile. Single-crystal structure analyses have shown that both compounds are isotypic and adopt the tetragonal space group I4/mcm (no. 140, Z = 4) with the cell parameters a = 701.53(12) and c = 1413.7(5) pm for LiK[N(CN){sub 2}]{sub 2} and a = 730.34(10) and c = 1414.4(4) pm for LiRb[N(CN){sub 2}]{sub 2}. The crystal structure is described and compared to that of the pseudo-binary alkali metal dicyanamides.

Solvent acting as a precursor: Synthesis of AgCN from AgNO{sub 3} in N, N-DMF solvent by laser ablation

Energy Technology Data Exchange (ETDEWEB)

Lee, Seulki; Jung, Hyeon Jin; Choi, Myong Yong [Gyeongsang National University, Jinju (Korea, Republic of); Choi, Hyun Chul [Dept. of Chemistry, Chonnam National University, Gwangju (Korea, Republic of); Hwang, Yu Sik [Future Environmental Research Center, Korean Institute of Toxicology, Jinju (Korea, Republic of)

2017-01-15

Metal cyanides are of considerable interest owing to their commercial importance. For example, AuCN and AgCN are used in mining, electroplating, and photography. However, many typical methods for the synthesis of metal cyanides mostly use cyanide ions, toxic anions, and it can induce many health problems, especially in the vascular, visual, central nervous, cardiac, endocrine, and metabolic systems. It is known that 0.5–3.5 mg of cyanide/kg of body weight is fatal for humans. Thus, highly sensitive and selective detections of cyanide ions have been extensively studied for many years. In recent years, many studies have been actively conducted on the generation of metal nanoparticles or carbon compounds in organic solvents by a pulsed laser ablation in liquid (PLAL) method. There are several advantages of using this “simple and clean” synthesis, PLAL. One of them includes that the final product is usually obtained without any by-products, meaning that no further purification is needed and it is environmentally friendly. Other advantages are relatively low cost in the experimental setups and the experimental parameters can be easily controlled. Furthermore, the extremely confined conditions induced by PLAL, such as high temperature and pressure, favor the formation of unusual metastable phases. Thus, the synthesis of metastable materials, e.g., hexagonal close-packed Ni nanoparticles and anatase TiO2, has been accomplished easily compared with the conventional wet-chemical synthesis.

Electrochemical studies on Li /K ion exchange behaviour in K4Fe(CN)

Indian Academy of Sciences (India)

based,24 sol-gel,17–21 and solid-state16 meth- ods. There are a .... Double potential step chronoamper- ometry was ... removal of moisture as well as water of crystallisa- tion and the .... active material, K4Fe(CN)6, carbon black and graphite.

The Use of Asymptotic Functions for Determining Empirical Values of CN Parameter in Selected Catchments of Variable Land Cover

Science.gov (United States)

Wałęga, Andrzej; Młyński, Dariusz; Wachulec, Katarzyna

2017-12-01

The aim of the study was to assess the applicability of asymptotic functions for determining the value of CN parameter as a function of precipitation depth in mountain and upland catchments. The analyses were carried out in two catchments: the Rudawa, left tributary of the Vistula, and the Kamienica, right tributary of the Dunajec. The input material included data on precipitation and flows for a multi-year period 1980-2012, obtained from IMGW PIB in Warsaw. Two models were used to determine empirical values of CNobs parameter as a function of precipitation depth: standard Hawkins model and 2-CN model allowing for a heterogeneous nature of a catchment area. The study analyses confirmed that asymptotic functions properly described P-CNobs relationship for the entire range of precipitation variability. In the case of high rainfalls, CNobs remained above or below the commonly accepted average antecedent moisture conditions AMCII. The study calculations indicated that the runoff amount calculated according to the original SCS-CN method might be underestimated, and this could adversely affect the values of design flows required for the design of hydraulic engineering projects. In catchments with heterogeneous land cover, the results of CNobs were more accurate when 2-CN model was used instead of the standard Hawkins model. 2-CN model is more precise in accounting for differences in runoff formation depending on retention capacity of the substrate. It was also demonstrated that the commonly accepted initial abstraction coefficient λ = 0.20 yielded too big initial loss of precipitation in the analyzed catchments and, therefore, the computed direct runoff was underestimated. The best results were obtained for λ = 0.05.

Magnetic field effects on electric behavior of [Fe(CN6]3− at bare and membrane-coated electrodes

Directory of Open Access Journals (Sweden)

Govindachetty Saravanan, Katsuhiko Fujio and Sumio Ozeki

2008-01-01

Full Text Available The cyclic voltammetric behavior of [Fe(CN6]3− was investigated under homogeneous magnetic fields perpendicular to the electrode surface in order to determine the effects of magnetic fields on the distribution of an Fe2+/Fe3+ redox couple. The cathodic current was enhanced much more than the anodic current by a homogeneous magnetic field, suggesting that the concentration gradient of paramagnetic [Fe(CN6]3− and diamagnetic [Fe(CN6]4− formed at an electrode surface may also contribute to the asymmetric current. The apparent diffusion coefficient of the redox couple increased by over 30% in both cathodic and anodic processes upon applying a magnetic field. For a gold electrode coated with dioctadecyldimethylammonium, the application of a magnetic field perpendicular to the surface increased the peak-to-peak separation, and enhanced the asymmetric current. It is inferred that the application of a magnetic field promotes the electron-tunneling process by tilting chain molecules in the barrier membrane.

Temperaturedependent After-Effects of the Cobalt-57-Iron-57 Electron-Capture Reaction in Cd3[57Co(CN)6]2,12H2O

DEFF Research Database (Denmark)

Fenger, Jes; Olsen, Jørgen

1974-01-01

The Mössbauer emission spectrum of Cd3[57Co(CN)6]2,12H2O was measured at temperatures between 78 and 323 K. Above 200 K the spectra can be resolved into two doublets; one is ascribed to 57Fe(CN)63– and one to 57Fe(CN)52–; it is suggested that the pentacyanide is formed by a Coulomb explosion...... following an Auger process associated with the 57Co(EC)57Fe-decay. Below 200 K a third species is detected; it may be Fe2+ formed by cyanide linkage isomerism. Measurements of the total intensity of the spectrum and the relative intensities of the individual doublets as a function of temperature permit...... in principle a determination of the f-factors for the species formed. It is estimated that the 57Fe(CN)52– has a formal Debye temperature of 170 K; at room temperature it is detected with a probability of only 50% of that of the 57Fe(CN)63–....

cn.FARMS: a latent variable model to detect copy number variations in microarray data with a low false discovery rate.

Science.gov (United States)

Clevert, Djork-Arné; Mitterecker, Andreas; Mayr, Andreas; Klambauer, Günter; Tuefferd, Marianne; De Bondt, An; Talloen, Willem; Göhlmann, Hinrich; Hochreiter, Sepp

2011-07-01

Cost-effective oligonucleotide genotyping arrays like the Affymetrix SNP 6.0 are still the predominant technique to measure DNA copy number variations (CNVs). However, CNV detection methods for microarrays overestimate both the number and the size of CNV regions and, consequently, suffer from a high false discovery rate (FDR). A high FDR means that many CNVs are wrongly detected and therefore not associated with a disease in a clinical study, though correction for multiple testing takes them into account and thereby decreases the study's discovery power. For controlling the FDR, we propose a probabilistic latent variable model, 'cn.FARMS', which is optimized by a Bayesian maximum a posteriori approach. cn.FARMS controls the FDR through the information gain of the posterior over the prior. The prior represents the null hypothesis of copy number 2 for all samples from which the posterior can only deviate by strong and consistent signals in the data. On HapMap data, cn.FARMS clearly outperformed the two most prevalent methods with respect to sensitivity and FDR. The software cn.FARMS is publicly available as a R package at http://www.bioinf.jku.at/software/cnfarms/cnfarms.html.

Heat production in growing pigs calculated according to the RQ and CN methods

DEFF Research Database (Denmark)

Christensen, K; Chwalibog, André; Henckel, S

1988-01-01

1. Heat production, calculated according to the respiratory quotient methods, HE(RQ), and the carbon nitrogen balance method, HE(CN), was compared using the results from a total of 326 balance trials with 56 castrated male pigs fed different dietary composition and variable feed levels during...

Raster-based derivation of a flood runoff susceptibility map using the revised runoff curve number (CN) for the Kuantan watershed, Malaysia

DEFF Research Database (Denmark)

Akbari, Abolghasem; Samah, Azizan Abu; Daryabor, Farshid

2016-01-01

This study aims to develop a methodology for generating a flood runoff susceptibility (FRS) map using a revised curve number (CN) method. The study area is in the Kuantan watershed (KW), Malaysia, which was seriously affected by floods in December 2013 and December 2014. A revised runoff CN map w......, the finding of this research provides a road map for government agencies to effectively implement flood mitigation projects in the study area.......This study aims to develop a methodology for generating a flood runoff susceptibility (FRS) map using a revised curve number (CN) method. The study area is in the Kuantan watershed (KW), Malaysia, which was seriously affected by floods in December 2013 and December 2014. A revised runoff CN map....... Approximately 5% of the study area was identified as a very high-risk zone and 13% as high-risk zone. However, the spatial extent of a high-risk zone in the downstream end and lowland areas of the KW could be considered to be the main cause of flood damage in recent years. From practical point of view...

TEGS-CN: A Statistical Method for Pathway Analysis of Genome-wide Copy Number Profile.

Science.gov (United States)

Huang, Yen-Tsung; Hsu, Thomas; Christiani, David C

2014-01-01

The effects of copy number alterations make up a significant part of the tumor genome profile, but pathway analyses of these alterations are still not well established. We proposed a novel method to analyze multiple copy numbers of genes within a pathway, termed Test for the Effect of a Gene Set with Copy Number data (TEGS-CN). TEGS-CN was adapted from TEGS, a method that we previously developed for gene expression data using a variance component score test. With additional development, we extend the method to analyze DNA copy number data, accounting for different sizes and thus various numbers of copy number probes in genes. The test statistic follows a mixture of X (2) distributions that can be obtained using permutation with scaled X (2) approximation. We conducted simulation studies to evaluate the size and the power of TEGS-CN and to compare its performance with TEGS. We analyzed a genome-wide copy number data from 264 patients of non-small-cell lung cancer. With the Molecular Signatures Database (MSigDB) pathway database, the genome-wide copy number data can be classified into 1814 biological pathways or gene sets. We investigated associations of the copy number profile of the 1814 gene sets with pack-years of cigarette smoking. Our analysis revealed five pathways with significant P values after Bonferroni adjustment (number data, and causal mechanisms of the five pathways require further study.

Numerical analysis of heat treatment of TiCN coated AA7075 aluminium alloy

Science.gov (United States)

Srinath, M. K.; Prasad, M. S. Ganesha

2018-04-01

The Numerical analysis of heat treatments of TiCN coated AA7075 aluminium alloys is presented in this paper. The Convection-Diffusion-Reaction (CDR) equation with solutions in the Streamlined-Upward Petrov-Galerkin (SUPG) method for different parameters is provided for the understanding of the process. An experimental process to improve the surface properties of AA-7075 aluminium alloy was attempted through the coatings of TiCN and subsequent heat treatments. From the experimental process, optimized temperature and time was obtained which gave the maximum surface hardness and corrosion resistance. The paper gives an understanding and use of the CDR equation for application of the process. Expression to determine convection, diffusion and reaction parameters are provided which is used to obtain the overall expression of the heat treatment process. With the substitution of the optimized temperature and time, the governing equation may be obtained. Additionally, the total energy consumed during the heat treatment process is also developed to give a mathematical formulation of the energy consumed.

Very high laser-damage threshold of polymer-derived Si(B)CN-carbon nanotube composite coatings.

Science.gov (United States)

Bhandavat, R; Feldman, A; Cromer, C; Lehman, J; Singh, G

2013-04-10

We study the laser irradiance behavior and resulting structural evolution of polymer-derived silicon-boron-carbonitride (Si(B)CN) functionalized multiwall carbon nanotube (MWCNT) composite spray coatings on copper substrate. We report a damage threshold value of 15 kWcm(-2) and an optical absorbance of 0.97 after irradiation. This is an order of magnitude improvement over MWCNT (1.4 kWcm(-2), 0.76), SWCNT (0.8 kWcm(-2), 0.65) and carbon paint (0.1 kWcm(-2), 0.87) coatings previously tested at 10.6 μm (2.5 kW CO2 laser) exposure. Electron microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy suggests partial oxidation of Si(B)CN forming a stable protective SiO2 phase upon irradiation.

Sheet-like of Mo –Sm assembly containing [Mo (CN)8 ] and Sm ions ...

Indian Academy of Sciences (India)

Administrator

421–427. © Indian Academy of Sciences. 421 ... Department of Chemistry, Nankai University, Tianjin, 300071, PR China e-mail: ... [Mo(CN)8]3– building blocks, this paper details the ..... 20601014), and National Basic Research Program of.

The text of the agreement of 15 July 1981 between Argentina and the Agency for the application of Safeguards in connection with contracts concluded between the Comision Nacional de Energia Atomica Argentina and the Kraftwerk Union AG (Federal Republic of Germany) for the supply of the Atucha II Nuclear Power Plant

International Nuclear Information System (INIS)

1995-01-01

The Agreement between the Republic of Argentina, the Federative Republic of Brazil, the Brazilian-Argentine Agency for Accounting and Control of Nuclear Materials and the International Atomic Energy Agency for the Application of Safeguards came into force on 4 March 1994. As a result of the coming into force of the aforesaid Agreement for Argentina, the application of safeguards under the Agreement of 15 July 1981 between Argentina and the IAEA for the application of safeguards in connection with contracts concluded between the Comision Nacional de Energia Atomic Argentina and the Kraftwerk Union AG (Federal Republic of Germany) for the supply of the Atucha II Nuclear Power Plant has been suspended

Two-equivalent electrochemical reduction of a cyano-complex [TlIII(CN)2]+ and the novel di-nuclear compound [(CN)5PtII-TlIII]0

International Nuclear Information System (INIS)

Dolidze, Tina D.; Khoshtariya, Dimitri E.; Behm, Martin; Lindbergh, Goeran; Glaser, Julius

2005-01-01

Extending our recent insights in two-electron transfer microscopic mechanisms for a Tl III /Tl I redox system [D.E. Khoshtariya, et al., Inorg. Chem. 41 (2002) 1728], the electrochemical response of glassy carbon electrode in acidified solutions of Tl III (ClO 4 ) 3 containing different concentrations of sodium cyanide has been extensively studied for the first time by use of cyclic voltammetry and the CVSIM curve simulation PC program. The complex [Tl III (CN) 2 ] + has been thoroughly identified electrochemically and shown to display a single well-defined reduction wave (which has no anodic counterpart), ascribed to the two-equivalent process yielding [Tl I (aq)] + . This behavior is similar to that of [Tl III (aq)] 3+ ion in the absence of sodium cyanide, disclosed in the previous work, and is compatible with the quasi-simultaneous yet sequential two-electron transfer pattern (with two reduction waves merged in one), implying the rate-determining first electron transfer step (resulting in the formation of a covalently interacting di-thallium complex as a metastable intermediate), and the fast second electron transfer step. Some preliminary studies of the two-equivalent reduction of directly metal-metal bonded stable compound [(CN) 5 Pt II -Tl III ] 0 has been also performed displaying two reduction waves compatible with a true sequential pattern

Reply to comment by Fred L. Ogden et al. on "Beyond the SCS-CN method: A theoretical framework for spatially lumped rainfall-runoff response"

Science.gov (United States)

Bartlett, M. S.; Parolari, A. J.; McDonnell, J. J.; Porporato, A.

2017-07-01

Though Ogden et al. list several shortcomings of the original SCS-CN method, fit for purpose is a key consideration in hydrological modelling, as shown by the adoption of SCS-CN method in many design standards. The theoretical framework of Bartlett et al. [2016a] reveals a family of semidistributed models, of which the SCS-CN method is just one member. Other members include event-based versions of the Variable Infiltration Capacity (VIC) model and TOPMODEL. This general model allows us to move beyond the limitations of the original SCS-CN method under different rainfall-runoff mechanisms and distributions for soil and rainfall variability. Future research should link this general model approach to different hydrogeographic settings, in line with the call for action proposed by Ogden et al.

CAE meteorological database for the PC CREAM program. Atmospheric dilution factor in different points of the CAE (Centro Atomico Ezeiza) and of the argentine nuclear power plants

International Nuclear Information System (INIS)

Amado, Valeria A.

2007-01-01

In the first part of this work, the EZEIZA.MET file, with the meteorological database of the surroundings of the Ezeiza Atomic Center, is prepared and incorporated into the library of the PC CREAM program. This program was developed by the National Radiological Protection Board and the European Union. Information provided by the National Meteorological Service was used, corresponding to the Ezeiza Meteorological Station during the period 1996-2005. In the second part, a methodology to estimate the atmospheric dilution factor at a point using the PLUME module of the PC CREAM, is presented. The developed methodology was used to estimate the dilution factor at points close to the Ezeiza Atomic Center and nuclear power plants Atucha I and Embalse. The developed methodology was used to estimate the dilution factor at points close to the Ezeiza Atomic Center and nuclear power plants Atucha I and Embalse. In the first case the file with the generated meteorological database is used, whereas for the nuclear power plants the already existing ATUCHALO.MET and EMBALSE.MET files are used. The dilution factors obtained are compared with those obtained in previous work. The proposed methodology is a useful tool to estimate the dilution factors in a simple and systematic way, and simultaneously allows the update of the meteorological information used in the estimations. (author) [es

A structural phase transition coupled to the Fe{sup 3+} spin-state crossover in anhydrous RbMn[Fe(CN){sub 6}

Energy Technology Data Exchange (ETDEWEB)

Rykov, A. I., E-mail: rykov3@yahoo.com; Wang, J., E-mail: wangjh@dicp.ac.cn; Zhang, T. [Chinese Academy of Sciences, Moessbauer Effect Data Center, Dalian Institute of Chemical Physics (China); Nomura, K. [University of Tokyo, Graduate School of Engineering (Japan)

2013-04-15

Linkage isomerism is the coexistence of iso-compositional molecules or solids differing by connectivity of the metal to a ligand. In a crystalline solid state, the rotation is possible for asymmetric ligands, e.g., for cyanide ligand. Here we report on our observation of a phase transition in anhydrous RbMn[Fe(CN){sub 6}] (nearly stoichiometric) and on the effect of linkage isomerism ensuing our interpretation of the results of Moessbauer study in which we observe the iron spin state crossover among two phases involved into this transition. The anhydrous RbMn[Fe(CN){sub 6}] can be prepared via prolonged thermal treatment (1 week at at 80 Degree-Sign C) of the as-synthesized hydrated RbMn[Fe(CN){sub 6}]{center_dot}H{sub 2}O. The latter compound famous for its charge-transfer phase transition is a precursor in our case. As the temperature is raising above 80 Degree-Sign C (remaining below 100 Degree-Sign C) we observe RbMn[Fe(CN){sub 6}] that inherited its F-43 m symmetry from RbMn[Fe(CN){sub 6}]{center_dot}H{sub 2}O transforming to a phase of the Fm-3 m symmetry. In the latter, more than half of Fe{sup 3 + } ions are in high-spin state. We suggest a plausible way to explain the spin-crossover that is to allow the linkage isomerism by rotation of the cyanide ligands.

Quasi-continuous transition from a Fermi liquid to a spin liquid in κ-(ET)2Cu2(CN)3.

Science.gov (United States)

Furukawa, Tetsuya; Kobashi, Kazuhiko; Kurosaki, Yosuke; Miyagawa, Kazuya; Kanoda, Kazushi

2018-01-22

The Mott metal-insulator transition-a manifestation of Coulomb interactions among electrons-is known as a discontinuous transition. Recent theoretical studies, however, suggest that the transition is continuous if the Mott insulator carries a spin liquid with a spinon Fermi surface. Here, we demonstrate the case of a quasi-continuous Mott transition from a Fermi liquid to a spin liquid in an organic triangular-lattice system κ-(ET) 2 Cu 2 (CN) 3 . Transport experiments performed under fine pressure tuning have found that as the Mott transition is approached, the Fermi liquid coherence temperature continuously falls to the scale of kelvins, with a divergent quasi-particle decay rate on the metal side, and the charge gap continuously closes on the insulator side. A Clausius-Clapeyron analysis provides thermodynamic evidence for the extremely weak first-order nature of the transition. These results provide additional support for the existence of a spinon Fermi surface, which becomes an electron Fermi surface when charges are delocalized.

Static Recrystallization Behavior of Z12CN13 Martensite Stainless Steel

Science.gov (United States)

Luo, Min; Zhou, Bing; Li, Rong-bin; Xu, Chun; Guo, Yan-hui

2017-09-01

In order to increase the hot workability and provide proper hot forming parameters of forging Z12CN13 martensite stainless steel for the simulation and production, the static recrystallization behavior has been studied by double-pass hot compression tests. The effects of deformation temperature, strain rate and inter-pass time on the static recrystallization fraction by the 2% offset method are extensively studied. The results indicate that increasing the inter-pass time and the deformation temperature as well as strain rate appropriately can increase the fraction of static recrystallization. At the temperature of 1050-1150 °C, inter-pass time of 30-100 s and strain rate of 0.1-5 s-1, the static recrystallization behavior is obvious. In addition, the kinetics of static recrystallization behavior of Z12CN13 steel has been established and the activation energy of static recrystallization is 173.030 kJ/mol. The substructure and precipitates have been studied by TEM. The results reveal that the nucleation mode is bulging at grain boundary. Undissolved precipitates such as MoNi3 and Fe3C have a retarding effect on the recrystallization kinetics. The effect is weaker than the accelerating effect of deformation temperature.

Radiological Protection Service of CN Asco; Servicio de ProteccionRadiologica de C. N. Asco

Energy Technology Data Exchange (ETDEWEB)

NONE

2015-07-01

Briefly explains the structure of Radiation Protection Service (SPR) of CN Asco to address these performances, as well as a short description of the main activities that have been reinforced or have been incorporated into the routine activities of the SPR. (Author)

Exploring the crystallization landscape of cadmium bis(N-hydroxyethyl, N-isopropyldithiocarbamate), Cd[S{sub 2}CN(iPr)CH{sub 2}CH{sub 2}OH]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Tan, Yee Seng; Halim, Siti Nadiah Abdul [Malaya Univ., Kuala Lumpur (Malaysia). Dept. of Chemistry; Tiekink, Edward R.T. [Malaya Univ., Kuala Lumpur (Malaysia). Dept. of Chemistry; Sunway Univ., Bandar Sunway (Malaysia). Centre for Chemical Crystallography

2016-04-01

Crystallization of Cd[S{sub 2}CN(iPr)CH{sub 2}CH{sub 2}OH]{sub 2} from ethanol yields the coordination polymer [{Cd[S_2CN(iPr)CH_2CH_2OH]_2}.EtOH]{sub ∞} (1) within 3 h. When the solution is allowed to stand for another hour, the needles begin to dissolve and prisms emerge of the supramolecular isomer (SI), binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}.2EtOH (2). These have been fully characterized spectroscopically and by X-ray crystallography. Polymeric 1 has 2-fold symmetry and features dithiocarbamate ligands coordinating two octahedral Cd atoms in a μ{sub 2}κ{sup 2}-tridentate mode. Binuclear 2 is centrosymmetric with two ligands being μ{sub 2}κ{sup 2}-tridentate as for 1 but the other two being κ{sup 2}-chelating leading to square pyramidal geometries. The conversion of the kinetic crystallization product, 1, to thermodynamic 2 is irreversible but transformations mediated by recrystallization (ethanol and acetonitrile) to related literature SI species, namely coordination polymer [{Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 3}.MeCN]{sub ∞} and binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}.2H{sub 2}O.2MeCN, are demonstrated, some of which are reversible. Three other crystallization outcomes are described whereby crystal structures were obtained for the 1:2 co-crystal {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}:2[3-(propan-2-yl)-1,3-oxazolidine-2-thione] (3), the salt co-crystal [iPrNH{sub 2}(CH{sub 2}CH{sub 2}OH)]{sub 4}[SO{sub 4}]{sub 2}{Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2} (4) and the salt [iPrNH{sub 2}(CH{sub 2}CH{sub 2}OH)]{Cd[S_2CN(iPr)CH_2CH_2OH]_3} (5). These arise as a result of decomposition/oxidation of the dithiocarbamate ligands. In each of 3 and 4 the binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2} SI, as in 2, is observed strongly suggesting a thermodynamic preference for this form.

Structure and property relationships of amorphous CN sub x a joint experimental and theoretical study

CERN Document Server

Santos, M C D

2000-01-01

Amorphous CN sub x and CN sub x :H have been prepared by the ion beam assisted deposition technique. Samples were characterized through X-ray and UV photoemission, IR absorption and Raman spectroscopies. These spectra have been interpreted with the aid of quantum chemical calculations based upon the Hartree-Fock theory on several molecular models. The understanding of the electronic and structural properties of the amorphous alloy as a function of nitrogen content could help in the task of synthesizing the metastable silicon-nitride like-phase beta-C sub 3 N sub 4 , a solid which has been predicted to be as hard as diamond. The physical picture emerging from the present study helps to clarify the difficulties in obtaining the crystalline phase of the material, suggesting new experimental directions for syntheses.

Evidence of amino acid precursors: C-N bond coupling in simulated interstellar CO2/NH3 ices

Science.gov (United States)

Esmaili, Sasan

2015-08-01

Low energy secondary electrons are abundantly produced in astrophysical or planetary ices by the numerous ionizing radiation fields typically encountered in space environments and may thus play a role in the radiation processing of such ices [1]. One approach to determine their chemical effect is to irradiate nanometer thick molecular solids of simple molecular constituents, with energy selected electron beams and to monitor changes in film chemistry with the surface analytical techniques [2].Of particular interest is the formation of HCN, which is a signature of dense gases in interstellar clouds, and is ubiquitous in the ISM. Moreover, the chemistry of HCN radiolysis products such as CN- may be essential to understand of the formation of amino acids [3] and purine DNA bases. Here we present new results on the irradiation of multilayer films of CO2 and NH3 with 70 eV electrons, leading to CN bond formations. The electron stimulated desorption (ESD) yields of cations and anions are recorded as a function of electron fluence. The prompt desorption of cationic reaction/scattering products [4], is observed at low fluence (~4x1013 electrons/cm2). Detected ions include C2+, C2O2+, C2O+, CO3+, C2O3+ or CO4+ from pure CO2, and N+, NH+, NH2+, NH3+, NH4+, N2+, N2H+ from pure NH3, and NO+, NOH+ from CO2/NH3 mixtures. Most saliently, increasing signals of negative ion products desorbing during prolonged irradiation of CO2/NH3 films included C2-, C2H-, C2H2-, as well as CN-, HCN- and H2CN-. The identification of particular product ions was accomplished by using 13CO2 and 15NH3 isotopes. The chemistry induced by electrons in pure films of CO2 and NH3 and mixtures with composition ratios (3:1), (1:1), and (1:3), was also studied by X-ray photoelectron spectroscopy (XPS). Irradiation of CO2/NH3 mixed films at 22 K produces species containing the following bonds/functional groups identified by XPS: C=O, O-H, C-C, C-O, C=N and N=O. (This work has been funded by NSERC).

Elimination Reactions of (E)-2,4,6-Trinitrobenzaldehyde O-benzoyloximes Promoted by R2NH in MeCN. Change of Reaction Mechanism

International Nuclear Information System (INIS)

Cho, Bong Rae; Pyun, Sang Yong

2010-01-01

We have studied the nitrile-forming elimination reactions from 1 promoted by R 2 NH in MeCN. The reaction proceeded by (E1cb) irr mechanism. Change of the β-aryl group from 2,4-dinitrophenyl to a more strongly electron-withdrawing 2,4,6-trinitrophenyl increased the reaction rate by 470-fold, shifted the transition state toward more reactant-like, and changed the reaction mechanism from E2 to (E1cb) irr . To the best of our knowledge, this is the first example of nitrile-forming elimination reaction that proceeds by the (E1cb) irr mechanism in MeCN. Noteworthy is the carbanion stabilizing ability of the 2,4,6-trinitrophenyl group in aprotic solvent. Nitrile-forming elimination reactions of (E)-benzaldoxime derivatives have been extensively investigated under various conditions. The reactions proceeded by the E2 mechanism in MeCN despite the fact that the reactants have syn stereochemistry, poor leaving, and sp 2 hybridized β-carbon atom, all of which favor E1cb- or E1cb-like transition state. Moreover, the transition state structures were relatively insensitive to the variation of the reactant structures. The results have been attributed to the poor anion solvating ability of MeCN, which favors E2 transition state with maximum charge dispersal. For eliminations from strongly activated (E)-2,4-(NO 2 ) 2 C 6 H 3 CH=NOC(O)C 6 H 4 X, a change in the reaction mechanism from E2 to (E1cb) irr was observed as the base-solvent was changed from R 2 NH in MeCN to R 2 NH/R 2 NH 2 + in 70 mol % MeCN(aq). A combination of a strong electron-withdrawing β-aryl group and anion-solvating protic solvent was required for the mechanistic change

Satellite-derived land covers for runoff estimation using SCS-CN method in Chen-You-Lan Watershed, Taiwan

Science.gov (United States)

Zhang, Wen-Yan; Lin, Chao-Yuan

2017-04-01

The Soil Conservation Service Curve Number (SCS-CN) method, which was originally developed by the USDA Natural Resources Conservation Service, is widely used to estimate direct runoff volume from rainfall. The runoff Curve Number (CN) parameter is based on the hydrologic soil group and land use factors. In Taiwan, the national land use maps were interpreted from aerial photos in 1995 and 2008. Rapid updating of post-disaster land use map is limited due to the high cost of production, so the classification of satellite images is the alternative method to obtain the land use map. In this study, Normalized Difference Vegetation Index (NDVI) in Chen-You-Lan Watershed was derived from dry and wet season of Landsat imageries during 2003 - 2008. Land covers were interpreted from mean value and standard deviation of NDVI and were categorized into 4 groups i.e. forest, grassland, agriculture and bare land. Then, the runoff volume of typhoon events during 2005 - 2009 were estimated using SCS-CN method and verified with the measured runoff data. The result showed that the model efficiency coefficient is 90.77%. Therefore, estimating runoff by using the land cover map classified from satellite images is practicable.

Nitrogen removal and nitrous oxide emission in surface flow constructed wetlands for treating sewage treatment plant effluent: Effect of C/N ratios.

Science.gov (United States)

Li, Ming; Wu, Haiming; Zhang, Jian; Ngo, Huu Hao; Guo, Wenshan; Kong, Qiang

2017-09-01

In order to design treatment wetlands with maximal nitrogen removal and minimal nitrous oxide (N 2 O) emission, the effect of influent C/N ratios on nitrogen removal and N 2 O emission in surface flow constructed wetlands (SF CWs) for sewage treatment plant effluent treatment was investigated in this study. The results showed that nitrogen removal and N 2 O emission in CWs were significantly affected by C/N ratio of influent. Much higher removal efficiency of NH 4 + -N (98%) and TN (90%) was obtained simultaneously in SF CWs at C/N ratios of 12:1, and low N 2 O emission (8.2mg/m 2 /d) and the percentage of N 2 O-N emission in TN removal (1.44%) were also observed. These results obtained in this study would be utilized to determine how N 2 O fluxes respond to variations in C/N ratios and to improve the sustainability of CWs for wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2 '-bipyridine)(CN)4]2-

DEFF Research Database (Denmark)

Kjær, Kasper Skov; Kunnus, Kristjan; Harlang, Tobias C. B.

2018-01-01

The excited state dynamics of solvated [Fe(bpy)(CN)4]2-, where bpy = 2,2'-bipyridine, show significant sensitivity to the solvent Lewis acidity. Using a combination of optical absorption and X-ray emission transient spectroscopies, we have previously shown that the metal to ligand charge transfer...... the MLCT excited state relaxation dynamics of [Fe(bpy)(CN)4]2- in water, a strong Lewis acid solvent. The charge-transfer excited state is now found to decay in less than 100 femtoseconds, forming a quasi-stable metal centered excited state with a 13 picosecond lifetime. We find that this MC excited state...... developed for solar applications....

Electron paramagnetic resonance of K3Rh(CN)6 irradiated with electrons in KCl

International Nuclear Information System (INIS)

Vugman, N.V.

1970-07-01

Using a simple theory, it was estimated the electronic density of the diamagnetic complex Rh (CN) 3- 6 in a KCl lattice. The g// and g1 values were determined by EPR, and the experimental results fit the theoretical calculations. (M.W.O.) [pt

Nano-galvanic coupling for enhanced Ag+ release in ZrCN-Ag films : Antibacterial application

NARCIS (Netherlands)

Calderon, S.; Ferreri, I.; Henriques, M.; De Hosson, J. T. M.; Cavaleiro, A.; Carvalho, S.

2016-01-01

The antibacterial properties of materials developed for medical devices with embedded silver nanoparticles are enhanced by controlling the release of silver ions. In this study, a simple experimental procedure for the augmentation of the silver ion release from ZrCN-Ag coatings is described. The

The effects of phase transformation on the structure and mechanical properties of TiSiCN nanocomposite coatings deposited by PECVD method

Science.gov (United States)

Abedi, Mohammad; Abdollah-zadeh, Amir; Bestetti, Massimiliano; Vicenzo, Antonello; Serafini, Andrea; Movassagh-Alanagh, Farid

2018-06-01

In the present study, the effects of phase transformations on the structure and mechanical properties of TiSiCN coatings were investigated. TiSiCN nanocomposite coatings were deposited on AISI H13 hot-work tool steel by a pulsed direct current plasma-enhanced chemical vapor deposition process at 350 or 500 °C, using TiCl4 and SiCl4 as the precursors of Ti and Si, respectively, in a CH4/N2/H2/Ar plasma as the source of carbon and nitrogen and reducing environment. Some samples deposited at 350 °C were subsequently annealed at 500 °C under Ar atmosphere. Super hard self-lubricant TiSiCN coatings, having nanocomposite structure consisting of TiCN nanocrystals and amorphous carbon particles embedded in an amorphous SiCNx matrix, formed through spinodal decomposition in the specimens deposited or annealed at 500 °C. In addition, it was revealed that either uncomplete or relatively coarse phase segregation of titanium compounds was achieved during deposition at 350 °C and 500 °C, respectively. On the contrary, by deposition at 350 °C followed by annealing at 500 °C, a finer structure was obtained with a sensible improvement of the mechanical properties of coatings. Accordingly, the main finding of this work is that significant enhancement in key properties of TiSiCN coatings, such as hardness, adhesion and friction coefficient, can be obtained by deposition at low temperature and subsequent annealing at higher temperature, thanks to the formation of a fine grained nanocomposite structure.

Simulation with the MELCOR code of two severe accident sequences, Station Blackout and Small Break LOCA, for the Atucha I nuclear power plant

International Nuclear Information System (INIS)

Valle Cepero, Reinaldo

2004-01-01

The results of the PSA-I applied to the Atucha I nuclear power plant (CNA I) determine the accidental sequences with the most influence related to the probability of the core reactor damage. Among those sequences are include, the Station Blackout and lost of primary coolant, combine with the failure of the emergency injection systems by pipe breaks of diameters between DN100 - DN25 or equivalent areas, Small LOCA. This paper has the objective to model and analyze the behavior of the primary circuit and the pressure vessel during the evolution of those two accidental sequences. It presented a detailed analysis of the main phenomena that occur from the initial moment of the accident to the failure moment of the pressure vessel and the melt material fall to the reactor cavity. Two sequences were taken into account, considering the main phenomena (core uncover, heating, fuel element oxidation, hydrogen generation, degradation and relocation of the melt material, failure of the support structures, etc.) and the time of occurrence, of those events will be different, if it is considered that both sequences will be developed in different scenarios. One case is an accident with the primary circuit to a high pressure (Station Blackout scenario) and the other with a early primary circuit depressurization due to the lost of primary coolant. For this work the MELCOR 1.8.5 code was used and it allows within a unified framework to modeling an extensive spectrum of phenomenology associated with the severe accidents. (author)

Comment on "Beyond the SCS-CN method: A theoretical framework for spatially lumped rainfall-runoff response" by M. S. Bartlett et al.

Science.gov (United States)

Ogden, Fred L.; Hawkins, Richard Pete; Walter, M. Todd; Goodrich, David C.

2017-07-01

Bartlett et al. (2016) performed a re-interpretation and modification of the space-time lumped USDA NRCS (formerly SCS) Curve Number (CN) method to extend its applicability to forested watersheds. We believe that the well documented limitations of the CN method severely constrains the applicability of the modifications proposed by Bartlett et al. (2016). This forward-looking comment urges the research communities in hydrologic science and engineering to consider the CN method as a stepping stone that has outlived its usefulness in research. The CN method fills a narrow niche in certain settings as a parsimonious method having utility as an empirical equation to estimate runoff from a given amount of rainfall, which originated as a static functional form that fits rainfall-runoff data sets. Sixty five years of use and multiple reinterpretations have not resulted in improved hydrological predictability using the method. We suggest that the research community should move forward by (1) identifying appropriate dynamic hydrological model formulations for different hydro-geographic settings, (2) specifying needed model capabilities for solving different classes of problems (e.g., flooding, erosion/sedimentation, nutrient transport, water management, etc.) in different hydro-geographic settings, and (3) expanding data collection and research programs to help ameliorate the so-called "overparameterization" problem in contemporary modeling. Many decades of advances in geo-spatial data and processing, computation, and understanding are being squandered on continued focus on the static CN regression method. It is time to truly "move beyond" the Curve Number method.

Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.

Science.gov (United States)

Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel

2015-08-03

The two MeCN ligands in [Ru(2-C6H4-2'-Py-κC,N)(Phen, trans-C)(MeCN)2]PF6 (1), both trans to a sp(2) hybridized N atom, cannot be substituted by any other ligand. In contrast, the isomerized derivative [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(MeCN)2]PF6 (2), in which one MeCN ligand is now trans to the C atom of the phenyl ring orthometalated to Ru, leads to fast and quantitative substitution reactions with several monodentate ligands. With PPh3, 2 affords [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(PPh3)(MeCN)]PF6 (3), in which PPh3 is trans to the C σ bound to Ru. Compound 3 is not kinetically stable, because, under thermodynamic control, it leads to 4, in which the PPh3 is trans to a N atom of the Phen ligand. Dimethylsulfoxide (DMSO) can also substitute a MeCN ligand in 2, leading to 5, in which DMSO is coordinated to Ru via its S atom trans to the N atom of the Phen ligand, the isomer under thermodynamic control being the only compound observed. We also found evidence for the fast to very fast substitution of MeCN in 2 by water or a chloride anion by studying the electronic spectra of 2 in the presence of water or NBu4Cl, respectively. An isomerization related to that observed between 3 and 4 is also found for the known monophosphine derivative [Ru(2-C6H4-2'-Py-κC,N)(PPh3, trans-C)(MeCN)3]PF6 (10), in which the PPh3 is located trans to the C of the cyclometalated 2-phenylpyridine, since, upon treatment by refluxing MeCN, it leads to its isomer 11, [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(MeCN)3]PF6. Further substitutions are also observed on 11, whereby N^N chelates (N^N = 2,2'-bipyridine and phenanthroline) substitute two MeCN ligands, affording [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(N^N)(MeCN)]PF6 (12a and 12b). Altogether, the behavior of the obtained complexes by ligand substitution reactions can be rationalized by an antisymbiotic effect on the Ru center, trans to the C atom of the cyclometalated unit, leading to compounds having the least nucleophilic ligand trans to C

Preparation and Characterization of SiO2/SiCN Core-shell Ceramic Microspheres

Directory of Open Access Journals (Sweden)

ZHANG Hai-yuan

2017-05-01

Full Text Available The SiO2/PSN core-shell microspheres were prepared via an emulsion reaction combined with the polymer-derived ceramics (PDCs method using polysilazane (PSN in situ polymerization on the surface of SiO2 modified by silane coupling agents MPS, followed by pyrolysis process to obtain SiO2/SiCN core-shell ceramic microspheres. The effects of raw mass ratio, curing time and pyrolysis temperature on the formation and the morphology of core-shell microspheres were studied. The morphology, chemical composition and phase transformation were characterized by SEM, EDS, TEM, FT-IR and XRD. The results show that after reaction for 4h at 200℃, SiO2 completely coated PSN forms a core-shell microsphere with rough surface when the mass ratio of SiO2 and PSN is 1:4; when pyrolysis temperature is at 800-1200℃, amorphous SiO2/SiCN core-shell ceramic microspheres are prepared; at 1400℃, the amorphous phase partially crystallizes to produce SiO2, SiC and Si3N4 phase.

Surface modification of an aluminum alloy by electron beam introducing TiCN nanoparticles

Science.gov (United States)

Kolev, M.; Dimitrova, R.; Parshorov, St.; Valkov, St.; Lazarova, R.; Petrov, P.

2018-03-01

TiCN nanopowder deposited in an appropriate way on the surface of an AlSi12Cu2NiMg substrate was incorporated in the matrix using an electron beam technology. The samples were studied by means of light microscopy, SEM, and EDX; their microhardness was also determined. The formation was found of a uniform and dense coating with a thickness of 7 – 10 μgm with a good adherence to the substrate. A modified zone appeared under the coating with a thickness of 100 – 150 μgm containing dendrites of an α-solid solution and a fine eutectic between them, as well as primary silicon crystals. The microhardness of this modified zone was up to 2.4 times higher than that of the matrix. The results of SEM and EDX studies revealed unambiguously the presence of titanium in the coating and in the zones below it. Obviously, the electron beam treatment resulted in the TiCN nanoparticles penetrating into the coating and the substrate immediately below the coating.

THE POSSIBLE INTERSTELLAR ANION CH{sub 2}CN{sup -}: SPECTROSCOPIC CONSTANTS, VIBRATIONAL FREQUENCIES, AND OTHER CONSIDERATIONS

Energy Technology Data Exchange (ETDEWEB)

Fortenberry, Ryan C.; Lee, Timothy J. [NASA Ames Research Center, Moffett Field, CA 94035-1000 (United States); Crawford, T. Daniel, E-mail: Ryan.C.Fortenberry@nasa.gov, E-mail: Timothy.J.Lee@nasa.gov [Department of Chemistry, Virginia Tech, Blacksburg, VA 24061 (United States)

2013-01-10

The A {sup 1}B{sub 1} Leftwards-Open-Headed-Arrow X-tilde{sup 1}A' excitation into the dipole-bound state of the cyanomethyl anion (CH{sub 2}CN{sup -}) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X-tilde{sup 1} A' CH{sub 2}CN{sup -} in order to assist in laboratory studies and astronomical observations.

Development of the dyed-track method for Kodak CN-85 detector. No. E/3

International Nuclear Information System (INIS)

Somogyi, G.; Toth-Szilagyi, M.; Varga, Zs.; Monnin, M.; Lferde, M.

1983-01-01

The dyed-track method has been successfully developed for cellulose derivatives. The track parameters (width, coloration deepness, contrast, registration sensitivity), however, proved to be very dependent on the detector material and on the track processing conditions. In the authors' previous works optimum conditions were presented mostly for cellulose acetate sheets. In the present work the influence of track processing parameters on the dyed-track formation was studied in Kodak cellulose nitrate detector called CN-85. It is found that in this material optimum dyed-tracks can be produced with using no swelling but with a thermal annealing at 100 deg C for 1 hour after particles irradiation. For sensitization a treatment with 15% HCL at 22 deg C for 20 hours and for dyeing 0.3 wt% Rhodamine-B at 100 deg C for 1 hour proved to be best. For understanding the track dyeing phenomenon the coloration behaviour of electron-irradiated CN-85 detectors was studied. (author)

Low-dimensional compounds containing cyano groups. XVII. Crystal structure, spectroscopic, thermal and magnetic properties of [Cu(bmen)2][Pt(CN)4] (bmen=N,N'-dimethylethylenediamine)

International Nuclear Information System (INIS)

Potocnak, Ivan; Vavra, Martin; Cizmar, Erik; Kajnakova, Marcela; Radvakova, Alena; Steinborn, Dirk; Zvyagin, Sergei A.; Wosnitza, Jochen; Feher, Alexander

2009-01-01

The synthesis, structural analysis, spectroscopic studies, susceptibility and specific-heat measurements of {[Cu(bmen) 2 ][Pt(CN) 4 ]} n (bmen=N,N'-dimethylethylenediamine) are presented. X-ray crystal-structure analysis revealed that the [Pt(CN) 4 ] 2- building blocks are combined with [Cu(bmen) 2 ] 2+ units to form a chain-like structure along the a axis. The Cu(II) atoms are hexacoordinated by four nitrogen atoms in the equatorial plane belonging to two molecules of bidentate bmen ligands with average Cu-N distance of 2.043(18) A. The axial positions are occupied by two nitrogen atoms from bridging [Pt(CN) 4 ] 2- anions at a longer axial Cu-N distance of 2.490(4) A. The compound is characterized by the presence of a weak antiferromagnetic exchange coupling J/k B =0.6 K. Despite the one-dimensional (1D) character of the structure, the analysis of the magnetic properties and specific heat at very low temperatures shows that [Cu(bmen) 2 ][Pt(CN) 4 ] behaves as a two-dimensional (2D) square-lattice Heisenberg magnet with weak interlayer coupling. - Graphical abstract: The synthesis, structural analysis, spectroscopic studies, susceptibility and specific-heat measurements of {[Cu(bmen) 2 ][Pt(CN) 4 ]} n (bmen=N,N'-dimethylethylenediamine) are presented. X-ray crystal-structure analysis revealed that the [Pt(CN) 4 ] 2- building blocks are combined with [Cu(bmen) 2 ] 2+ units to form a chain-like structure. The compound is characterized by the presence of a weak antiferromagnetic exchange coupling J/k B =-0.6 K. Despite the one-dimensional character of the structure, the analysis of the magnetic properties and specific heat at very low temperatures shows that [Cu(bmen) 2 ][Pt(CN) 4 ] behaves as a two-dimensional square-lattice Heisenberg magnet with weak interlayer coupling

Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Pang Linlin [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Bi Jianqiang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Bai Yujun [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China) and Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China)], E-mail: byj97@126.com; Qi Yongxin [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Zhu Huiling [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Wang Chengguo; Wu Jiwei [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Lu Chengwei [Department of Equipment, Shandong University of Science and Technology, Jinan 250031 (China)

2008-12-20

Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}. X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C{identical_to}N peak in the infrared spectra, further verify the formation of graphite-like sp{sup 2}-bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N.

Alkyl hydrogen atom abstraction reactions of the CN radical with ethanol

Science.gov (United States)

Athokpam, Bijyalaxmi; Ramesh, Sai G.

2018-04-01

We present a study of the abstraction of alkyl hydrogen atoms from the β and α positions of ethanol by the CN radical in solution using the Empirical Valence Bond (EVB) method. We have built separate 2 × 2 EVB models for the Hβ and Hα reactions, where the atom transfer is parameterized using ab initio calculations. The intra- and intermolecular potentials of the reactant and product molecules were modelled with the General AMBER Force Field, with some modifications. We have carried out the dynamics in water and chloroform, which are solvents of contrasting polarity. We have computed the potential of mean force for both abstractions in each of the solvents. They are found to have a small and early barrier along the reaction coordinate with a large energy release. Analyzing the solvent structure around the reaction system, we have found two solvents to have little effect on either reaction. Simulating the dynamics from the transition state, we also study the fate of the energies in the HCN vibrational modes. The HCN molecule is born vibrationally hot in the CH stretch in both reactions and additionally in the HCN bends for the Hα abstraction reaction. In the early stage of the dynamics, we find that the CN stretch mode gains energy at the expense of the energy in CH stretch mode.

Spatial distributions of H, CN, and C2 in a diamond growing oxyacetylene flame

NARCIS (Netherlands)

Klein-Douwel, R.J.H.; Meulen, ter J.J.

1998-01-01

Two-dimensional laser-induced fluorescence (2D-LIF) measurements are applied to the chemical vapor deposition (CVD) of diamond by an oxyacetylene flame to visualize the distributions of atomic hydrogen, C2, and CN in the gas phase during diamond growth. Experiments are carried out in laminar flames

Analysis of the runoff generation mechanism for the investigation of the SCS-CN method applicability to a partial area experimental watershed

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.; Dercas, N.; Londra, P. A.

2009-01-01

The Soil Conservation Service Curve Number (SCS-CN) method is widely used for predicting direct runoff volume for a given rainfall event. The applicability of the SCS-CN method and the runoff generation mechanism were thoroughly analysed in a Mediterranean experimental watershed in Greece. The region is characterized by a Mediterranean semi-arid climate. A detailed land cover and soil survey using remote sensing and GIS techniques, showed that the watershed is dominated by coarse soils with high hydraulic conductivities, whereas a smaller part is covered with medium textured soils and impervious surfaces. The analysis indicated that the SCS-CN method fails to predict runoff for the storm events studied, and that there is a strong correlation between the CN values obtained from measured runoff and the rainfall depth. The hypothesis that this correlation could be attributed to the existence of an impermeable part in a very permeable watershed was examined in depth, by developing a numerical simulation water flow model for predicting surface runoff generated from each of the three soil types of the watershed. Numerical runs were performed using the HYDRUS-1D code. The results support the validity of this hypothesis for most of the events examined where the linear runoff formula provides better results than the SCS-CN method. The runoff coefficient of this formula can be taken equal to the percentage of the impervious area. However, the linear formula should be applied with caution in case of extreme events with very high rainfall intensities. In this case, the medium textured soils may significantly contribute to the total runoff and the linear formula may significantly underestimate the runoff produced.

Phase transitions of doped carbon in CrCN coatings with modified mechanical and tribological properties via filtered cathodic vacuum arc deposition

International Nuclear Information System (INIS)

Guan, J.J.; Wang, H.Q.; Qin, L.Z.; Liao, B.; Liang, H.; Li, B.

2017-01-01

The CrCN coatings were fabricated onto Si (1 1 1) wafers and SUS304 stainless steel plates using filtered cathodic vacuum arc deposition (FCVAD) technique under different flow ratios of N_2/C_2H_2 gas mixture. The morphology, crystalline structure and chemical composition of the coatings were characterized. It was found that the grain size reduce with increasing carbon content, which makes the CrCN coatings refined and smooth. The quasi-one-dimensional carbolite phase was also found in CrN host lattice with C_2H_2 content ranging from 5% to 20%, and it will be evolved into amorphous carbon and amorphous CN_x phases as C_2H_2 content exceeds 20%. Moreover, we examined the mechanical and tribological properties of the CrCN coatings, and the experimental results confirmed that the friction coefficient of the coatings descend to the lowest value as 0.39 with 30% C_2H_2 content, due to the graphite (sp"2 C−C) phase embed in CrN host lattice; while the chromium carbon (Cr_3C_2) and diamond (sp"3 C−C) phases may give rise to the increase of the coating hardness with the highest value at 23.97 GPa under 20% C_2H_2 content.

Organic carbon source and C/N ratio affect inorganic nitrogen profile in the biofloc-based culture media of Pacific white shrimp (Litopenaeus vannamei

Directory of Open Access Journals (Sweden)

Muhammad Hanif Azhar

2016-03-01

Full Text Available Organic carbon source and C/N ratio play an important role in aquaculture system with biofloc technology application. Nitrogen control by adding carbohydrates to the water to stimulate heterotrophic bacterial growth by converting nitrogen into bacterial biomass. The study investigated the effect molasses, tapioca, tapioca by product and rice bran as carbon sources in a biofloc media at three different C/N ratios i.e. 10, 15, and 20 on total ammonia reduction in biofloc media. Five liters of biofloc media in a conical tank was prepared for each replicate, which consisted of 500 mL of biofloc suspension collected from a shrimp culture unit with biofloc technology application and 4.5 L seawater. Pacific white shrimp culture was performed in 40L glass aquaria at a shrimp density of 30/aquarium. There was a significant interaction between carbon source and the C/N ratio applied (P<0.05. The use of molasses resulted in the highest reduction rate irrespective to the C/N ratio. Keywords: molasses, tapioca, tapioca by product, rice bran, biofloc, total ammonia nitrogen

Tribological behavior and self-healing functionality of TiNbCN-Ag coatings in wide temperature range

Energy Technology Data Exchange (ETDEWEB)

Bondarev, A.V., E-mail: abondarev88@gmail.com; Kiryukhantsev-Korneev, Ph.V.; Levashov, E.A.; Shtansky, D.V., E-mail: shtansky@shs.misis.ru

2017-02-28

Highlights: • TiNbCN–Ag coatings for wide temperature range tribological applications. • Alloying with Nb and Ag improve tribological properties and oxidation resistance. • Ag-rich TiNbCN coatings show friction coefficient below 0.45 in range of 25–700 °C. • Ag-doped coatings show active oxidation protection and self-healing functionality. - Abstract: Ag- and Nb-doped TiCN coatings with about 2 at.% of Nb and Ag contents varied between 4.0 and 15.1 at.% were designed as promising materials for tribological applications in a wide temperature range. We report on the structure, mechanical, and tribological properties of TiNbCN-Ag coatings fabricated by simultaneous co-sputtering of TiC{sub 0.5} + 10%Nb{sub 2}C and Ag targets in comparison with those of Ag-free coating. The tribological characteristics were evaluated during constant-temperature tests both at room temperature and 300 °C, as well as during dynamic temperature ramp tests in the range of 25–700 °C. The coating structure and elemental composition were studied by means of X-ray diffraction, scanning and transmission electron microscopy, and glow discharge optical emission spectroscopy. The coating microstructures and elemental compositions inside wear tracks, as well as the wear products, were examined by scanning electron microscopy, energy-dispersive spectroscopy, and Raman spectroscopy. We demonstrate that simultaneous alloying with Nb and Ag permits to overcome the main drawbacks of TiCN coatings such as their relatively high values of friction coefficient at elevated temperatures and low oxidation resistance. It is shown that a relatively high amount of Ag (15 at.%) is required to provide enhanced tribological behavior in a wide temperature range of 25–700 °C. In addition, the prepared Ag-doped coatings demonstrated active oxidation protection and self-healing functionality due to the segregation of Ag metallic particles in damage areas such as cracks, pin-holes, or oxidation sites.

Synthesis and electrical, spectroscopic and nonlinear optical properties of cobalt molecular materials obtained from PcCo(CN)L (L = ethylenediamine, 1,4-diaminebutane, 1,12-diaminododecane and 2,6-diamineanthraquinone)

International Nuclear Information System (INIS)

Morales-Saavedra, O.G.; Sanchez-Vergara, M.E.; Rodriguez-Rosales, A.A.; Ortega-Martinez, R.; Ortiz-Rebollo, A.; Frontana-Uribe, B.A.; Garcia-Montalvo, V.

2010-01-01

Novel PcCo(CN)L monomeric complexes were synthesized from [PcCoCN] n compounds and bidentate axial ligands (L) such as ethylenediamine, 1,4-diaminebutane, 1,12-diaminedodecane and 2,6-diamineanthraquinone. These complexes were implemented to fabricate pellets and thin films by the vacuum thermal evaporation technique. The obtained compounds and deposited thin films were characterized by different spectroscopic techniques. Measurements of the electrical conductivity and the electrical current as a function of temperature were also carried out. IR-spectroscopy studies showed that the ligand attaches to the [PcCoCN] n unit. The C=N vibrational band is found in the PcCo(et)CN and PcCo(bu)CN molecular solids, although it is displaced with respect to other reported values. Compounds PcCo(do) 2 and PcCo(an) 2 do not show C=N vibrational bands. This fact suggests a double bond between the ligand and the macrocycle and a coordination at the fifth and sixth position on the Co(III) atom. UV-vis spectra of the thin films exhibited higher conjugation degree for the CN-based samples. Electrical conductivity for the PcCo(an) 2 complex was consistently low for all temperature ranges under measurement, whereas the other synthesized compounds showed a semiconductor-like dependence of electric current with temperature. Additionally, cubic nonlinear optical (NLO) characterizations of the film samples were performed with the Z-Scan and third harmonic generation (THG) techniques, all samples exhibit outstandingly high nonlinear activity.

A sediment graph model based on SCS-CN method

Science.gov (United States)

Singh, P. K.; Bhunya, P. K.; Mishra, S. K.; Chaube, U. C.

2008-01-01

SummaryThis paper proposes new conceptual sediment graph models based on coupling of popular and extensively used methods, viz., Nash model based instantaneous unit sediment graph (IUSG), soil conservation service curve number (SCS-CN) method, and Power law. These models vary in their complexity and this paper tests their performance using data of the Nagwan watershed (area = 92.46 km 2) (India). The sensitivity of total sediment yield and peak sediment flow rate computations to model parameterisation is analysed. The exponent of the Power law, β, is more sensitive than other model parameters. The models are found to have substantial potential for computing sediment graphs (temporal sediment flow rate distribution) as well as total sediment yield.

Monomers, dimers, and trimers of [Au(CN2]− in a Ba(diaza-18-crown-62+ coordination polymer

Directory of Open Access Journals (Sweden)

2009-03-01

Full Text Available The structure of the title compound, poly[triaquatetra-μ-cyanido-tetracyanidobis(1,4,10,13-tetraoxa-7,16-diazacyclooctadecanedibarium(IItetragold(I], [Au4Ba2(CN8(C12H26N2O42(H2O3]n, displays O—H...N hydrogen bonding between water molecules and cyano ligands and an unusual pattern of aurophilic interactions that yields a monomer, dimer, and trimer of [Au(CN2]− within the same crystal structure. In two of the five Au positions, the atom resides on a center of inversion. The overall arrangement is that of a coordination polymer assisted by aurophilic and hydrogen-bonded interactions.

Effect of C/N ratio, aeration rate and moisture content on ammonia and greenhouse gas emission during the composting.

Science.gov (United States)

Jiang, Tao; Schuchardt, Frank; Li, Guoxue; Guo, Rui; Zhao, Yuanqiu

2011-01-01

Gaseous emission (N2O, CH4 and NH3) from composting can be an important source of anthropogenic greenhouse gas and air pollution. A laboratory scale orthogonal experiment was conducted to estimate the effects of C/N ratio, aeration rate and initial moisture content on gaseous emission during the composting of pig faeces from Chinese Ganqinfen system. The results showed that about 23.9% to 45.6% of total organic carbon (TOC) was lost in the form of CO2 and 0.8% to 7.5% of TOC emitted as CH4. Most of the nitrogen was lost in the form of NH3, which account for 9.6% to 32.4% of initial nitrogen. N2O was also an important way of nitrogen losses and 1.5% to 7.3% of initial total nitrogen was lost as it. Statistic analysis showed that the aeration rate is the most important factor which could affect the NH3 (p = 0.0189), CH4 (p = 0.0113) and N2O (p = 0.0493) emissions significantly. Higher aeration rates reduce the CH4 emission but increase the NH3 and N2O losses. C/N ratio could affect the NH3 (p = 0.0442) and CH4 (p = 0.0246) emissions significantly, but not the N2O. Lower C/N ratio caused higher NH3 and CH4 emissions. The initial moisture content can not influence the gaseous emission significantly. Most treatments were matured after 37 days, except a trial with high moisture content and a low C/N ratio.

Reaction of cyanide with cytochrome ba3 from Thermus thermophilus: spectroscopic characterization of the Fe(II)a3-CN.Cu(II)B-CN complex suggests four 14N atoms are coordinated to CuB.

Science.gov (United States)

Surerus, K K; Oertling, W A; Fan, C; Gurbiel, R J; Einarsdóttir, O; Antholine, W E; Dyer, R B; Hoffman, B M; Woodruff, W H; Fee, J A

1992-01-01

Cytochrome ba3 from Thermus thermophilus reacts slowly with excess HCN at pH 7.4 to create a form of the enzyme in which CuA, cytochrome b, and CuB remain oxidized, while cytochrome a3 is reduced by one electron, presumably with the formation of cyanogen. We have examined this form of the enzyme by UV-visible, resonance Raman, EPR, and electron nuclear double resonance spectroscopies in conjunction with permutations of 13C- and 15N-labeled cyanide. The results support a model in which one CN- binds through the carbon atom to ferrous a3, supporting a low-spin (S = 0) configuration on the Fe; bridging by this cyanide to the CuB is weak or absent. Four 14N atoms, presumably donated by histidine residues of the protein, provide a strong equatorial ligand field about CuB; a second CN- is coordinated through the carbon atom to CuB in an axial position. PMID:1314380

Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

International Nuclear Information System (INIS)

Adams, R.D.; Golembski, N.M.

1979-01-01

The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

Identification of the c(10×6)-CN/Cu(001) surface structure

KAUST Repository

Shuttleworth, I.G.

2014-01-01

© 2014 Elsevier B.V. All rights reserved. A systematic survey of all possible c(10 x 6)-CN/Cu(0 0 1) structures has been performed using density functional theory (DFT). A group of four preferred structures is presented with one of the structures identified as optimal. An analysis of the bonding within the optimal structure has shown that a significant localisation of the surface Cu 4s bonds occurs in the saturated system.

Identification of the c(10×6)-CN/Cu(001) surface structure

KAUST Repository

Shuttleworth, I.G.

2014-12-01

© 2014 Elsevier B.V. All rights reserved. A systematic survey of all possible c(10 x 6)-CN/Cu(0 0 1) structures has been performed using density functional theory (DFT). A group of four preferred structures is presented with one of the structures identified as optimal. An analysis of the bonding within the optimal structure has shown that a significant localisation of the surface Cu 4s bonds occurs in the saturated system.

Ammonothermal synthesis of alkali-alkaline earth metal and alkali-rare earth metal carbodiimides. K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}

Energy Technology Data Exchange (ETDEWEB)

Mallmann, Mathias; Haeusler, Jonas; Cordes, Niklas; Schnick, Wolfgang [Department of Chemistry, University of Munich (LMU) (Germany)

2017-12-13

Alkali-alkaline earth metal and alkali-rare earth metal carbodiimides, namely K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (x = 0 - 1) (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}, were synthesized under ammonothermal conditions in high-pressure autoclaves. The structures of the three compounds can be derived from homeotypic K{sub 5}H(CN{sub 2}){sub 3} and Na{sub 5}H(CN{sub 2}){sub 3} by partial substitution of K{sup +} or Na{sup +}by Sr{sup 2+} or Eu{sup 2+}. The reactions were carried out in two step syntheses (T{sub 1} = 673 K, T{sub 2} = 823 K) starting from sodium or potassium azide, dicyandiamide and strontium or Eu(NH{sub 2}){sub 2}, respectively. The crystal structures were solved and refined from single-crystal X-ray diffraction data [K{sub 4.16}Sr{sub 0.84}(CN{sub 2}){sub 2.84}(HCN{sub 2}){sub 0.16}: space group Im3m (no. 229), a = 7.8304(5) Aa, Z = 2, R{sub 1} = 0.024, wR{sub 2} = 0.052; K{sub 4.40}Eu{sub 0.60}(CN{sub 2}){sub 2.60}(HCN{sub 2}){sub 0.40}: space group Im anti 3m (no. 229), a = 7.8502(6) Aa, Z = 2, R{sub 1} = 0.022, wR{sub 2} = 0.049]. In contrast to the potassium carbodiimides, the sodium-strontium carbodiimide was only synthesized as microcrystalline powder. The crystal structure was determined by powder X-ray diffraction and refined by the Rietveld method [Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}: space group Im3m (no. 229), a = 7.2412(1) Aa, Z = 2, R{sub wp} = 0.050]. The presence of hydrogencyanamide units ([HNCN]{sup -}) next to carbodiimide units ([CN{sub 2}]{sup 2-}) in all compounds was confirmed by FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synthesis and electrical, spectroscopic and nonlinear optical properties of cobalt molecular materials obtained from PcCo(CN)L (L = ethylenediamine, 1,4-diaminebutane, 1,12-diaminododecane and 2,6-diamineanthraquinone)

Energy Technology Data Exchange (ETDEWEB)

Morales-Saavedra, O.G., E-mail: omar.morales@ccadet.unam.mx [Lab. of Nonlinear Optics, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, CCADET-UNAM, Apdo, Postal 70-186, C.P. 04510 Coyoacan, Cd. Universitaria, Mexico D. F. (Mexico); Sanchez-Vergara, M.E. [Coordinacion de Ingenieria Mecatronica, Facultad de Ingenieria, Universidad Anahuac del Norte, Avenida Universidad Anahuac 46, Col. Lomas Anahuac, 52786 Huixquilucan, Estado de Mexico (Mexico); Rodriguez-Rosales, A.A.; Ortega-Martinez, R. [Lab. of Nonlinear Optics, Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, CCADET-UNAM, Apdo, Postal 70-186, C.P. 04510 Coyoacan, Cd. Universitaria, Mexico D. F. (Mexico); Ortiz-Rebollo, A. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, IIM-UNAM, A.P. 70-360 Coyoacan, 04510 Mexico D. F. (Mexico); Frontana-Uribe, B.A. [Centro Conjunto de Investigacion en Quimica Sustentable UAEM-UNAM Km. 14.5, Carretera Toluca-Atlacomulco, C.P. 50200 Toluca, Estado de Mexico (Mexico); Garcia-Montalvo, V. [Instituto de Quimica, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, Mexico D. F. 04510 (Mexico)

2010-10-01

Novel PcCo(CN)L monomeric complexes were synthesized from [PcCoCN]{sub n} compounds and bidentate axial ligands (L) such as ethylenediamine, 1,4-diaminebutane, 1,12-diaminedodecane and 2,6-diamineanthraquinone. These complexes were implemented to fabricate pellets and thin films by the vacuum thermal evaporation technique. The obtained compounds and deposited thin films were characterized by different spectroscopic techniques. Measurements of the electrical conductivity and the electrical current as a function of temperature were also carried out. IR-spectroscopy studies showed that the ligand attaches to the [PcCoCN]{sub n} unit. The C=N vibrational band is found in the PcCo(et)CN and PcCo(bu)CN molecular solids, although it is displaced with respect to other reported values. Compounds PcCo(do){sub 2} and PcCo(an){sub 2} do not show C=N vibrational bands. This fact suggests a double bond between the ligand and the macrocycle and a coordination at the fifth and sixth position on the Co(III) atom. UV-vis spectra of the thin films exhibited higher conjugation degree for the CN-based samples. Electrical conductivity for the PcCo(an){sub 2} complex was consistently low for all temperature ranges under measurement, whereas the other synthesized compounds showed a semiconductor-like dependence of electric current with temperature. Additionally, cubic nonlinear optical (NLO) characterizations of the film samples were performed with the Z-Scan and third harmonic generation (THG) techniques, all samples exhibit outstandingly high nonlinear activity.

Fitomassa e relação C/N em consórcios de sorgo e milho com espécies de cobertura Biomass and C/N ratio in intercrops of sorghum and maize with cover crops

Directory of Open Access Journals (Sweden)

Paulo Claudeir Gomes da Silva

2009-11-01

Full Text Available O objetivo deste trabalho foi quantificar a produtividade de fitomassa, o teor e acúmulo de nitrogênio (N, e a relação carbono/nitrogênio (C/N de monocultivos de sorgo (Sorghum bicolor e milho (Zea mays e de seus consórcios com guandu-anão (Cajanus cajan, crotalária (Crotalaria juncea, tremoço branco (Lupinus albus, girassol (Helianthus annuus e nabo-forrageiro (Raphanus sativus, manejados em diferentes estádios. O experimento foi conduzido de março a julho de 2008, em Argissolo Vermelho distroférrico de textura média, no sistema plantio direto. O delineamento experimental foi o de blocos completos ao acaso, com quatro repetições, e parcelas subdivididas, constituído pelos tratamentos: monocultivos de sorgo e milho e seus respectivos consórcios com guandu-anão, crotalária, girassol, nabo-forrageiro e tremoço branco, nas parcelas; e épocas de corte, aos 60, 90 e 120 dias após a semeadura nas subparcelas. Consórcios de sorgo e milho com outras espécies superaram expressivamente a produtividade de fitomassa de seus monocultivos que ainda acumularam menos N e apresentaram maiores relações C/N na fitomassa. Para aumentar a produtividade de fitomassa, a melhor época de corte é aos 120 dias após a semeadura das culturas de cobertura. O corte aos 90 dias após a semeadura propicia o maior acúmulo de N e as menores relações C/N.The objective of this work was to quantify the biomass production, the content and accumulation of nitrogen (N and the carbon/nitrogen (C/N relation in monocultures of sorghum (Sorghum bicolor and corn (Zea mays, and intercrops with pigeon pea (Cajanus cajan, sun hemp (Crotalaria juncea, white lupine (Lupinus albus, sunflower (Helianthus annuus and turnip forage (Raphanus sativus, managed in different stages. The experiment was carried out from March to July 2008, in a Haplic Acrisol, medium texture, under no-tillage. A randomized complete block design, with four replicates and split plots with the

Phase transitions of doped carbon in CrCN coatings with modified mechanical and tribological properties via filtered cathodic vacuum arc deposition

Energy Technology Data Exchange (ETDEWEB)

Guan, J.J. [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Wang, H.Q. [College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Qin, L.Z., E-mail: qin8394@163.com [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China); Liao, B.; Liang, H. [College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Li, B. [Faculty of Materials and Energy, Southwest University, Chongqing 400715 (China)

2017-04-15

The CrCN coatings were fabricated onto Si (1 1 1) wafers and SUS304 stainless steel plates using filtered cathodic vacuum arc deposition (FCVAD) technique under different flow ratios of N{sub 2}/C{sub 2}H{sub 2} gas mixture. The morphology, crystalline structure and chemical composition of the coatings were characterized. It was found that the grain size reduce with increasing carbon content, which makes the CrCN coatings refined and smooth. The quasi-one-dimensional carbolite phase was also found in CrN host lattice with C{sub 2}H{sub 2} content ranging from 5% to 20%, and it will be evolved into amorphous carbon and amorphous CN{sub x} phases as C{sub 2}H{sub 2} content exceeds 20%. Moreover, we examined the mechanical and tribological properties of the CrCN coatings, and the experimental results confirmed that the friction coefficient of the coatings descend to the lowest value as 0.39 with 30% C{sub 2}H{sub 2} content, due to the graphite (sp{sup 2} C−C) phase embed in CrN host lattice; while the chromium carbon (Cr{sub 3}C{sub 2}) and diamond (sp{sup 3} C−C) phases may give rise to the increase of the coating hardness with the highest value at 23.97 GPa under 20% C{sub 2}H{sub 2} content.

Searching for Stable SinCn Clusters: Combination of Stochastic Potential Surface Search and Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations

Directory of Open Access Journals (Sweden)

Larry W. Burggraf

2013-07-01

Full Text Available To find low energy SinCn structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA. We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each SinCn cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to SinCn (n = 4–12 clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each SinCn cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

Investigation of the direct runoff generation mechanism for the analysis of the SCS-CN method applicability to a partial area experimental watershed

Science.gov (United States)

Soulis, K. X.; Valiantzas, J. D.; Dercas, N.; Londra, P. A.

2009-05-01

The Soil Conservation Service Curve Number (SCS-CN) method is widely used for predicting direct runoff volume for a given rainfall event. The applicability of the SCS-CN method and the direct runoff generation mechanism were thoroughly analysed in a Mediterranean experimental watershed in Greece. The region is characterized by a Mediterranean semi-arid climate. A detailed land cover and soil survey using remote sensing and GIS techniques, showed that the watershed is dominated by coarse soils with high hydraulic conductivities, whereas a smaller part is covered with medium textured soils and impervious surfaces. The analysis indicated that the SCS-CN method fails to predict runoff for the storm events studied, and that there is a strong correlation between the CN values obtained from measured runoff and the rainfall depth. The hypothesis that this correlation could be attributed to the existence of an impermeable part in a very permeable watershed was examined in depth, by developing a numerical simulation water flow model for predicting surface runoff generated from each of the three soil types of the watershed. Numerical runs were performed using the HYDRUS-1D code. The results support the validity of this hypothesis for most of the events examined where the linear runoff formula provides better results than the SCS-CN method. The runoff coefficient of this formula can be taken equal to the percentage of the impervious area. However, the linear formula should be applied with caution in case of extreme events with very high rainfall intensities. In this case, the medium textured soils may significantly contribute to the total runoff and the linear formula may significantly underestimate the runoff produced.

Investigation of the direct runoff generation mechanism for the analysis of the SCS-CN method applicability to a partial area experimental watershed

Directory of Open Access Journals (Sweden)

K. X. Soulis

2009-05-01

Full Text Available The Soil Conservation Service Curve Number (SCS-CN method is widely used for predicting direct runoff volume for a given rainfall event. The applicability of the SCS-CN method and the direct runoff generation mechanism were thoroughly analysed in a Mediterranean experimental watershed in Greece. The region is characterized by a Mediterranean semi-arid climate. A detailed land cover and soil survey using remote sensing and GIS techniques, showed that the watershed is dominated by coarse soils with high hydraulic conductivities, whereas a smaller part is covered with medium textured soils and impervious surfaces. The analysis indicated that the SCS-CN method fails to predict runoff for the storm events studied, and that there is a strong correlation between the CN values obtained from measured runoff and the rainfall depth. The hypothesis that this correlation could be attributed to the existence of an impermeable part in a very permeable watershed was examined in depth, by developing a numerical simulation water flow model for predicting surface runoff generated from each of the three soil types of the watershed. Numerical runs were performed using the HYDRUS-1D code. The results support the validity of this hypothesis for most of the events examined where the linear runoff formula provides better results than the SCS-CN method. The runoff coefficient of this formula can be taken equal to the percentage of the impervious area. However, the linear formula should be applied with caution in case of extreme events with very high rainfall intensities. In this case, the medium textured soils may significantly contribute to the total runoff and the linear formula may significantly underestimate the runoff produced.

Vibrational frequencies and structural investigation of (M(CN)4)2- (M Cd, Hg and Zn) ions

International Nuclear Information System (INIS)

Gurkan, Keshan; Tomas, Polivka; Cemal, Parlak; Mustafa, Shenyel

2011-01-01

The normal mode frequencies and corresponding vibrational assignments of tetracyanometallate (II) ions ([M(CN) 4 ] 2 -, M = Cd, Hg and Zn) have been theoretically examined by means of standard quantum chemical techniques. All normalmodes have been successfully assigned to one of six types of motion utilizing the T d symmetry of M(CN) 4 2 -. Calculations have been performed at the Becke-3-Lee-Yang-Parr (B3LYP) density functional method using the Lanl2dz effective core basis set. Furthermore, reliable vibrational assignments have been made on the basis of potential energy distribution (PED) calculated and the thermodynamics functions, highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) of the title ions have been predicted together with their infrared intensities and Raman activities. Theoretical results have been successfully compared against available experimental data

Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n

Science.gov (United States)

Liu, Dong-Sheng; Chen, Wen-Tong; Ye, Guang-Ming; Zhang, Jing; Sui, Yan

2017-12-01

A new multifunctional mixed-valence copper(I/II) coordination polymer, {[CuCN][Cu(isonic)2]}n(1) (Hisonic = isonicotinic acid), was synthesized by treating isonicotinic acid and 5-amino-tetrazolate (Hatz = 5-amino-tetrazolate) with copper(II) salts under hydrothermal conditions, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound exhibit noncentrosymmetric polar packing arrangement. It is three-dimensional (3D) framework with (3,5)-connected 'seh-3' topological network constructed from metal organic framework {[Cu(isonic)2]}n and the inorganic linear chain{Cu(CN)}n subunits. A remarkable feature of 1 is the rhombic open channels that are occupied by a linear chain of {Cu(CN)}n. Impressively compound 1 displays not only a second harmonic generation (SHG) response, but also a ferroelectric behavior and magnetic properties.

Superconductivity at 2.8 K and 1.5 kbar in κ-(BEDT-TTF)2Cu2(CN)3: The first organic superconductor containing a polymeric copper cyanide anion

International Nuclear Information System (INIS)

Geiser, Urs; Wang Hau, H.; Carlson, K.D.; Williams, J.M.; Charlier, H.A. Jr.; Heindl, J.E.; Yaconi, G.A.; Love, B.J.; Lathrop, M.W.; Schirber, J.E.; Overmyer, D.L.; Ren, Jingquing; Whangbo, Myung-Hwan

1991-01-01

Attempts to synthesize new k-phase superconductors have concentrated on ET salts with complex anions composed of Cu(I) or Ag(I) metal ions and pseudohalide anions. The 'targeted anion approach', by use of a preformed anion found in KCu 2 (CN) 3 .H 2 O and the presence of trace amounts of water, led to the discovery of the first copper-cyanide containing superconductor, K-(ET) 2 Cu 2 (CN) 3 . The crystal structure, superconducting properties, and band electronic structure are described in this article. The complex k-(ET) 2 Cu 2 (CN) 3 is in many ways similar to the superconductor K-(ET) 2 Cu[N(CN) 2 ]Cl, the superconductor with the highest T c reported to date. 28 refs., 3 figs

In service inspection of the reactor pressure vessel coolant and moderator nozzles at Atucha 1. 1998/1999 outages

International Nuclear Information System (INIS)

Antonaccio, Carlos; Conde, Alberto; Fittipaldi, Andres H.; Maniotti, Jorge; Moliterno, Gabriel E.

2000-01-01

During the August 1998 and the August 1999 Atucha 1 outages, two areas were inspected on the Reactor Pressure Vessel: the nozzle inner radii and the nozzle shell welds on all 3 moderator nozzles and all 4 main coolant nozzles. The inspections themselves were carried out by Mitsui Babcock Energy Limited from Scotland. The coordination, maintenance assistant and mounting of the manipulator devices over the nozzles were carried out by NASA personnel. Although it was not the first time the nozzle shell welds were inspected, due to the technologies advances in the ultrasonic field and in the inspection manipulators (magnetic ones), it was possible to inspect more volume than in previous inspections. In the other hand, it was the first time NASA was able to inspect the inner radii. In this last case the mayor problems to inspect them were the nozzles geometry and the small space available to install manipulators. The result of the inspections were: 1) There were no reportable indications at any of the inner radii inspected; 2) The inspection of nozzle to shell welds in main-coolant nozzles R3 and R4 detected flaws (one in each nozzle) which were reported as exceeding the dimensions specified as the acceptance level under Table IWB 3512-1, Section XI of the ASME code. Subsequent analysis requested by NASA and performed by Mitsui Babcock, demonstrated that the flaws were over dimensioned and could be explained as due to 'point' flaws. The analysis was based on theoretical mathematic model and experimental trials. Therefore their dimension were under the acceptance level of the ASME XI code. Although the Mitsui Babcock analysis, and at the same time it was in progress, it was assumed that the flaws were as they were originally presented (exceeding the acceptance level). NASA asked SIEMENS/KWU, the designer of the plant, to perform the fracture assessment according to ASME XI App. A. The assessment shows that the expected crack growth is negligibly small and the safety

Development of LIFE4-CN: a combined code for steady-state and transient analyses of advanced LMFBR fuels

International Nuclear Information System (INIS)

Liu, Y.Y.; Zawadzki, S.; Billone, M.C.; Nayak, U.P.; Roth, T.

1979-01-01

The methodology used to develop the LMFBR carbide/nitride fuels code, LIFE4-CN, is described in detail along with some subtleties encountered in code development. Fuel primary and steady-state thermal creep have been used as an example to illustrate the need for physical modeling and the need to recognize the importance of the materials characteristics. A self-consistent strategy for LIFE4-CN verification against irradiation data has been outlined with emphasis on the establishment of the gross uncertainty bands. These gross uncertainty bands can be used as an objective measure to gauge the overall success of the code predictions. Preliminary code predictions for sample steady-state and transient cases are given

Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.

Science.gov (United States)

Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu

2014-01-06

Four new cyano-bridged bimetallic complexes, [{Mn(III)(salen)}2{Fe(III)(qcq)(CN)3}2]n·3nCH3CN·nH2O (1) [salen = N,N'-ethylenebis(salicylideneiminato) dianion; qcq(-) = 8-(2-quinoline-2-carboxamido)quinoline anion], [{Mn(III)(salpn)}2{Fe(III)(qcq)(CN)3}2]n·4nH2O (2) [salpn = N,N'-1,2-propylenebis(salicylideneiminato)dianion], [{Mn(II)(bipy)(CH3OH)}{Fe(III)(qcq)(CN)3}2]2·2H2O·2CH3OH (3) (bipy = 2,2'-bipyridine), and [{Mn(II)(phen)2}{Fe(III)(qcq)(CN)3}2]·CH3CN·2H2O (4) (phen = 1,10-phenanthroline) have been synthesized and characterized both structurally and magnetically. The structures of 1 and 2 are both unique 1-D linear branch chains with additional structural units of {Mn(III)(salen/salpn)}{Fe(III)(qcq)(CN)3} dangling on the sides. In contrast, 3 and 4 are cyano-bridged bimetallic hexanuclear and trinuclear clusters, respectively. The intermolecular short contacts such as π-π interactions and hydrogen bonds extend 1-4 into high dimensional supermolecular networks. Magnetic investigation reveals the dominant intramolecular antiferromagnetic interactions in 1, 3, and 4, while ferromagnetic and antiferromagnetic interactions coexist in 2. Alternating current measurement at low temperature indicates the existence of slow magnetic relaxation in 1 and 2, which should be due to the single ion anisotropy of Mn(III).

Study of the Atucha I nuclear power plant's residual heat removal system unavailability through the fault tree analysis and common cause failures

International Nuclear Information System (INIS)

Terrado, C.A.

1991-06-01

The present essay offers a comprehensive research of the Atucha I nuclear power plant's residual heat removal system unavailability, including Fault Tree Analysis and Common Cause Failures (CCF) treatment. The study is developed within the Event Tree perspective that considers the loss of external electrical power of the initiating event. The event was constructed by the Safety Evaluations Division of the Ezeiza Atomic Center in Argentina. According to the Event Tree, the research includes system demand during plant operation with 132 KV and emergency generation (Diesel motor generators). The system unavailability assessment is approached in two different ways: a) Considering independent failures only. b) Taking into account the existence of Common Cause Events, and modeling dependent failures. The Fault Tree quantification is played using the AIEA PSAPACK Code. The assessment data base is compiled from plant specific records and generic data bases like TECDOC 478. After Fault Tree model logic development, some general procedures used in common cause failures treating are applied to pick up another set of solutions. The results of the study are: a) Four Fault Trees have been developed to model the abovementioned system: 132 KV and emergency generation, both including and excluding CCF. b) The following unavailability values were obtained: 132 KV independent failures only: 7 10 -4 . Emergency generation independent failures only: 1.53 10 -2 . 132 KV dependent and independent failures: 3.6 10 -3 . Emergency generation dependent and independent failures: 1.74 10 -2 . The major conclusions obtained from the precedent results are: a) When using 132 KV system configuration, minimal cut sets involving common cause failures represents 81%from total system unavailability. b) The dependent failures treatment is an important task to be considered in safety assessments in order to reach more realistic values. (Author) [es

Interrelationship of Cn2 & Eddy Dissipation rate based on Scintillometer and Doppler Lidar observations in complex terrain during the Perdigao Campaign 2017

Science.gov (United States)

Creegan, E. D.; Krishnamurthy, R.; Hocut, C. M.; Pattantyus, A.; Leo, L. S.; Wang, Y.; Fernando, H. J.; Bariteau, L.

2017-12-01

The Perdigao campaign is a joint EU/US science project designed to provide information on flow field(s) over complex terrain and through wind turbines at unprecedented high spatial and temporal resolution. The goal is to improve wind energy physics and overcome the current deficiencies of wind resource models. Topographically the Perdigao location is an expansion of the "double hill in crossflow", consisting of two parallel ridges along the NW-SE direction. The site was heavily instrumented with an array of towers (with multiple transects along the valley and across two ridges) and a large suite of ground based and aerial remote sensing platforms. On the outflow side of the NW ridge a scintillometer was emplaced with the line-of-sight (LOS) running adjacent to the towers comprising the NE transect from the ridgetop down to the base. Scanning lidars were placed at both ends of this LOS. Other instruments included a tethered lifting system (TLS), sodar, microwave radiometer, an energy budget flux tower and radiosonde releases. Scintillomoter data provides a quantitative measure of the intensity of optical turbulence, through the refractive index structure parameter, Cn2, where averaged Cn2 is often determined as a function of local differences in temperature, moisture, and wind velocity at discrete points. The refractive index structure parameter is also a function of the inner (dissipation) and outer (energy producing) turbulent scales. The scintillometer directly gives path averaged Cn2 and Eddy Dissipation rate along the LOS. Coplanar scans along the same path were synchronized using two scanning coherent Doppler lidars. Algorithms have been developed to estimate both eddy dissipation rate and Cn2 from Doppler lidar data effectively creating a new lidar data product. Additionally, from TLS measurements, Cn2 and dissipation rate are calculated using the high frequency spectra of the hot-wire sensor. In this work, measurements of Cn2 and Eddy Dissipation rate

C-N bond cleavage of anilines by a (salen)ruthenium(VI) nitrido complex.

Science.gov (United States)

Man, Wai-Lun; Xie, Jianhui; Pan, Yi; Lam, William W Y; Kwong, Hoi-Ki; Ip, Kwok-Wa; Yiu, Shek-Man; Lau, Kai-Chung; Lau, Tai-Chu

2013-04-17

We report experimental and computational studies of the facile oxidative C-N bond cleavage of anilines by a (salen)ruthenium(VI) nitrido complex. We provide evidence that the initial step involves nucleophilic attack of aniline at the nitrido ligand of the ruthenium complex, which is followed by proton and electron transfer to afford a (salen)ruthenium(II) diazonium intermediate. This intermediate then undergoes unimolecular decomposition to generate benzene and N2.

Desulfurization of organic sulfur from a subbituminous coal by electron-transfer process with K{sub 4}(Fe(CN){sub 6})

Energy Technology Data Exchange (ETDEWEB)

Dipu Borah [Pragjyotika J College, Titabar (India). Department of Chemistry

2006-02-01

The desulfurization reaction involving direct electron transfer from potassium ferrocyanide, K{sub 4}(Fe(CN){sub 6}), successfully removed organic sulfur from a subbituminous coal. The temperature variation of desulfurization revealed that increase of temperature enhanced the level of sulfur removal. Moreover, the desulfurization reaction was found to be dependent on the concentration of K{sub 4}(Fe(CN){sub 6}). Gradual increase in the concentration of K{sub 4}(Fe(CN){sub 6}) raised the magnitude of desulfurization, but at higher concentration the variation was not significant. The removal of organic sulfur from unoxidized coal slightly increased with reduced particle size. Desulfurization from oxidized coals (prepared by aerial oxidation) revealed a higher level of sulfur removal in comparison to unoxidized coal. Highest desulfurization of 36.4 wt % was obtained at 90{sup o}C and 0.1 M concentration of K{sub 4}(Fe(CN){sub 6}) in the 100-mesh size oxidized coal prepared at 200{sup o}C. Model sulfur compound study revealed that aliphatic types of sulfur compounds are primarily responsible for desulfurization. Because of higher stability, thiophene and condensed thiophene-type of compounds perhaps remained unaffected by the electron-transfer agent. Infrared study revealed the formation of oxidized sulfur compounds (sulfoxide, sulfone, sulfonic acid, etc.) in the oxidized coals. The desulfurization reaction in different systems is well-represented by the pseudo-first-order kinetic model. Application of the transition state theory indicated that the desulfurization reaction proceeds with the absorption of heat (endothermic reaction) and is nonspontaneous in nature. 53 refs., 6 figs., 3 tabs.

Investigation of the direct runoff generation mechanism for the analysis of the SCS-CN method applicability to a partial area experimental watershed

OpenAIRE

Soulis, K. X.; Valiantzas, J. D.; Dercas, N.; Londra, P. A.

2009-01-01

The Soil Conservation Service Curve Number (SCS-CN) method is widely used for predicting direct runoff volume for a given rainfall event. The applicability of the SCS-CN method and the direct runoff generation mechanism were thoroughly analysed in a Mediterranean experimental watershed in Greece. The region is characterized by a Mediterranean semi-arid climate. A detailed land cover and soil survey using remote sensing and GIS techniques, showed that the watershed is dominated by coarse soils...

A novel cyanide-selective colorimetric and fluorescent chemosensor: First molecular security keypad lock based on phosphotungstic acid and CN{sup −} inputs

Energy Technology Data Exchange (ETDEWEB)

Tavallali, Hossein, E-mail: Tavallali@pnu.ac.ir; Deilamy-Rad, Gohar; Parhami, Abolfath; Hasanli, Nahid

2014-02-15

Highlights: • Our probe is commercially available with good photo stability and high quantum yield. • Both color and fluorescence change with long emission wavelength in aqueous media. • Characteristics of an ON–OFF–ON fluorescence switch. • The simple receptor for CN{sup -} detection with low detection limit (≪WHO). • Mimic the function of a security keypad lock on sequential addition of PTA and CN{sup −}. -- Abstract: Rhodamine B (Rh{sub B}) an available dye has been developed as novel and efficient colorimetric and fluorometric chemosensor for cyanide ions in an absolutely aqueous media. The UV–vis absorption and fluorescent emission titrations experiments have been employed to study the sensing process. Rh{sub B} could act as an efficient “ON–OFF” fluorescent response for phosphotungstic acid (H{sub 3}PW{sub 12}O{sub 40} or PTA) based on an ion associate process. Also (Rh{sub B}{sup +}){sub 3}·PTA{sup 3−} could operate as an “OFF–ON” fluorescent sensor for cyanide anions based on a ligand substitution process. It has been identified as highly sensitive probe for CN{sup −} which responds at 0.3 and 0.04 μmol L{sup −1} concentration levels by absorption and fluorescent method respectively. Depending upon the sequence of addition of PTA and CN{sup −} ions into the solution, Rh{sub B} could be as a molecular security keypad lock with PTA and CN{sup −} inputs. The ionic inputs to new fluorophore have been mimicked as a superimposed electronic molecular keypad lock. The results were compared successfully (>96%) with the data of a spectrophotometry approved method (EPA 9014-1) for cyanide ions.

Cis-[RuCl(BzCN)(N-N)(P-P)]PF6 complexes: Synthesis and in vitro antitumor activity: (BzCN=benzonitrile; N-N=2,2'-bipyridine; 1,10-phenanthroline; P-P=1,4-bis(diphenylphosphino) butane, 1,2-bis(diphenylphosphino)ethane, or 1,1'-(diphenylphosphino)ferrocene).

Science.gov (United States)

Pereira, Flávia de C; Lima, Benedicto A V; de Lima, Aliny P; Pires, Wanessa C; Monteiro, Thallita; Magalhães, Lorena F; Costa, Wanderson; Graminha, Angélica E; Batista, Alzir A; Ellena, Javier; Siveira-Lacerda, Elisângela de P

2015-08-01

The motivation to use ruthenium complexes in cancer treatment has led our research group to synthesize complexes with this metal and test them against several types of tumor cells, yielding promising results. In this paper the results of biological tests, assessed by the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay, were carried out on the complexes cis-[RuCl(BzCN)(bipy)(dppe)]PF6 (1), cis-[RuCl(BzCN)(bipy)(dppb)]PF6 (2), cis-[RuCl(BzCN)(bipy)(dppf)]PF6 (3) and cis-[RuCl(BzCN)(phen)(dppb)]PF6 (4) which are described [BzCN = b enzonitrile; bipy = 2,2'-bipyridine; phen = 1,10-phenanthroline; dppe = 1,2-bis(diphenylphosphino) ethane; dppb = 1,4-bis-(diphenylphosphino)butane; dppf = 1,1'-bis(diphenylphosphino)ferrocene]. The present study is focused on the cytotoxic activity of complexes (1)-(4) against four tumor cell lines and on the apoptosis and changes in the cell cycle and gene expression observed in the sarcoma 180 (S180) tumor cell line treated with complex (1). The results demonstrated that this complex inhibits S180 cell growth, with an IC50 of 17.02 ± 8.21 μM, while exhibiting lower cytotoxicity (IC50 = 53.73 ± 5.71 μM) towards lymphocytes (normal cells). Flow cytometry revealed that the complex inhibits the growth of tumor cells by inducing apoptosis as evidenced by an increase in the proportion of cells positive for annexin V staining and G0/G1 phase cell-cycle arrest. Further investigation showed that complex (1) induces a drop in the mitochondrial membrane potential and provokes a decrease in Bcl-2 protein expression and increase in caspase 3 activation, while the increased activation of caspase 8 caused a decrease in the gene expression in caspases 3 and 9. Increases in Tp53 and Bax expressions were also observed. Copyright © 2015 Elsevier Inc. All rights reserved.

Uniaxial Negative Thermal Expansion, Negative Linear Compressibility, and Negative Poisson's Ratio Induced by Specific Topology in Zn[Au(CN)2]2.

Science.gov (United States)

Wang, Lei; Luo, Hubin; Deng, Shenghua; Sun, Ying; Wang, Cong

2017-12-18

The well-known idea of "structure determines properties" can be understood profoundly in the case of hexagonal zinc dicyanometalate. Using density functional theory (DFT) calculations, we show the uniaxial negative thermal expansion (NTE) and negative linear compressibility (NLC) properties of Zn[Au(CN) 2 ] 2 . The temperature dependence of phonon frequencies within the quasi-harmonic approximation (QHA) is investigated. The abnormal phonon hardening (frequency increase on heating) is detected in the ranges of 0-225, 320-345, and 410-430 cm -1 , which can be indicative of the unusual physical properties of Zn[Au(CN) 2 ] 2 . Due to the significance of low-energy phonon frequencies in Zn[Au(CN) 2 ] 2 , in this work, the corresponding vibrational mode of the lowest-frequency optical phonon at the zone center is analyzed. The specific topology of a springlike framework that will produce the effects of a compressed spring on heating and an extended spring under hydrostatic pressure is identified and leads to the coexistence of uniaxial-NTE and NLC behaviors in Zn[Au(CN) 2 ] 2 . The distinguishing phonon group velocity along the a axis and c axis facilitates different responses for both the axes under temperature and hydrostatic pressure field. Through an analysis and visualization of the spatial dependence of elastic tensors, it is found that a negative Poisson's ratio (NPR) is presented in all projection planes due to the specific topology.

Tribological behavior and self-healing functionality of TiNbCN-Ag coatings in wide temperature range

Science.gov (United States)

Bondarev, A. V.; Kiryukhantsev-Korneev, Ph. V.; Levashov, E. A.; Shtansky, D. V.

2017-02-01

Ag- and Nb-doped TiCN coatings with about 2 at.% of Nb and Ag contents varied between 4.0 and 15.1 at.% were designed as promising materials for tribological applications in a wide temperature range. We report on the structure, mechanical, and tribological properties of TiNbCN-Ag coatings fabricated by simultaneous co-sputtering of TiC0.5 + 10%Nb2C and Ag targets in comparison with those of Ag-free coating. The tribological characteristics were evaluated during constant-temperature tests both at room temperature and 300 °C, as well as during dynamic temperature ramp tests in the range of 25-700 °C. The coating structure and elemental composition were studied by means of X-ray diffraction, scanning and transmission electron microscopy, and glow discharge optical emission spectroscopy. The coating microstructures and elemental compositions inside wear tracks, as well as the wear products, were examined by scanning electron microscopy, energy-dispersive spectroscopy, and Raman spectroscopy. We demonstrate that simultaneous alloying with Nb and Ag permits to overcome the main drawbacks of TiCN coatings such as their relatively high values of friction coefficient at elevated temperatures and low oxidation resistance. It is shown that a relatively high amount of Ag (15 at.%) is required to provide enhanced tribological behavior in a wide temperature range of 25-700 °C. In addition, the prepared Ag-doped coatings demonstrated active oxidation protection and self-healing functionality due to the segregation of Ag metallic particles in damage areas such as cracks, pin-holes, or oxidation sites.

8-12 GHz Radio Observations of Flare Activity On M dwarf CN Leo

Science.gov (United States)

Wofford, Alia; Villadsen, Jackie; Quintana, Elisa; Barclay, Thomas; Thackeray, Beverly

2018-01-01

Red dwarfs are cool stars that make up 70% of all stars. Red dwarfs can be utilized to detect potentially habitable planets but they have particularly strong magnetic activity that can be detrimental to orbiting planets’ atmospheres and habitability. A coronal mass ejection (CME) is an eruption of magnetized plasma from the star that is ejected into the interplanetary medium which can erode a planet’s atmosphere daily. Based on the sun CMEs are expected to produce very bright radio bursts along with optical flares. We are using M dwarf CN Leo, a well studied flare star that was in the K2 campaign field in summer 2017, as a template to understand the relationship between radio and optical flares and the space weather conditions impacting M dwarf planets. Using radio frequencies ranging from 0.22 GHz-12 GHz we search for simultaneous radio bursts and optical flares to infer if CMEs, flares or aurorae are occurring on the star. I will present the 8-12 GHz radio data from eight 1.5-hour observations with simultaneous optical data. CN Leo produced a bright non-thermal radio flare that lasted approximately for a day during two consecutive observations, with a gyrosynchrotron emission mechanism.

Synthesis and characterization of polyureasilazane derived SiCN ceramics

International Nuclear Information System (INIS)

Andronenko, Sergey I.; Stiharu, Ion; Misra, Sushil K.

2006-01-01

Samples of SiCN ceramics were synthesized by thermal treatment of commercially available CERASET TM polyureasilazane, used as liquid-polymer precursor, at pyrolysis temperatures of 1000, 1050, 1100, 1150, and 1200 deg. C. Electron paramagnetic resonance (EPR) signals due to sp 2 -hybridized carbon-related dangling bonds were recorded over the 4-300 K temperature range at X band (9.6 GHz), and the spectra showed the presence of an intense EPR line with g=2.0027 at room temperature for all samples; at liquid helium temperature an additional line was seen present as a shoulder to main line. These two signals are due to carbon-related dangling bonds present as (i) defects on the free-carbon phase and (ii) within the bulk of SiCN ceramic network. The value of the antiferromagnetic exchange constant between dangling bonds in the various samples, not hitherto available in the literature, was estimated from the temperature variation of the EPR linewidth to be anywhere from J=-12 to J=-15 K in the samples synthesized at 1000, 1100, and 1150 deg. C. The EPR linewidth of the samples decreased with increasing pyrolysis temperature of a sample, being 0.07 mT at X band at room temperature for the samples synthesized at 1150 and 1200 deg. C, which can be used potentially as stable g markers, due to their very narrow linewidth. The W-band (95 GHz) room-temperature spectrum of the sample pyrolyzed at 1100 deg. C exhibited only one line consistent with the X-band spectrum. At higher frequency of G band (170 GHz) the EPR spectra are better resolved, clearly showing the presence of a strong (g=2.0027) and a weak (g=2.0032) EPR line at room temperature, and the latter corresponds to the line present at X band as shoulder at liquid-helium temperature. In addition, nuclear magnetic resonance measurements were carried out to confirm the existence of free-carbon phase and oxygen atoms in the samples

Characterization by FTIR and nuclear analytical techniques of CN{sub x} films elaborated by laser ablation; Caracterizacion por FTIR y tecnicas analiticas nucleares de peliculas de CN{sub x} elaboradas por ablacion laser

Energy Technology Data Exchange (ETDEWEB)

Olea M, O.F

2003-07-01

At the present time the technique of deposit of laser ablation is used to produce different types of thin films. At the moment in the National Institute of Nuclear Research (ININ) it is carried out an investigation on the thermoluminescent response of thin films of CN{sub x} with possible application in dosimetry of electromagnetic radiation. Under this context, the present work is part of this investigation and has as objective to characterize thin films of CN{sub x} by means of Infrared spectrometry and nuclear analytical techniques. The deposits were elaborated by laser ablation under different such experimental conditions as: pressure of Nitrogen in the system (3 x 10{sup -3} and 7.5 X 10{sup -2} Torr), Distance target-substrate (3 and 5 cm) and density of incident energy in the target (from 17.5 up to 23.8 J/cm{sup 2}). Graphite of high purity was used like target and the deposits were made on their substrates of intrinsic silicon (100). By means of infrared spectrometry by Fourier Transform (Ftir) the type of bonds which are in the structure of the films of CN{sub x} were determined. The spectra of this type of samples present in general four characteristic bands related with different types of bonds among the elements C, O, H, N such as: C-C, C-N, C-H, N-H, O-H, C=N, C{identical_to}N, among others. It was carried out a semi quantitative study of the samples isolating each band of the total infrared spectra and making a comparison between their intensities and forms. This study allowed to observe that there is a dependence of the structure of the films with regard to the time, since mainly bonds of the type Sp{sup 3} between Hydrogen and Carbon (C-H) they presented a remarkable variation in intensity, increasing as it lapsed the time until reaching to a stabilization where the bonds already not varying. This increase probably is due to the absorption of water of the atmosphere, although one has seen in the literature that the incorporation of this compound in

Phonon-electron coupling and tunneling effect on charge transport in organic semi-conductor crystals of Cn-BTBT

Science.gov (United States)

Zhou, Yecheng; Deng, Wei-Qiao; Zhang, Hao-Li

2016-09-01

Cn-[1]benzothieno[3,2-b][1]-benzothiophene (BTBT) crystals show very high hole mobilities in experiments. These high mobilities are beyond existing theory prediction. Here, we employed different quantum chemistry methods to investigate charge transfer in Cn-BTBT crystals and tried to find out the reasons for the underestimation in the theory. It was found that the hopping rate estimated by the Fermi Golden Rule is higher than that of the Marcus theory due to the high temperature approximation and failure at the classic limit. More importantly, molecular dynamics simulations revealed that the phonon induced fluctuation of electronic transfer integral is much larger than the average of the electronic transfer integral itself. Mobilities become higher if simulations implement the phonon-electron coupling. This conclusion indicates that the phonon-electron coupling promotes charge transfer in organic semi-conductors at room temperature.

The Use of Asymptotic Functions for Determining Empirical Values of CN Parameter in Selected Catchments of Variable Land Cover

Directory of Open Access Journals (Sweden)

Wałęga Andrzej

2017-12-01

Full Text Available The aim of the study was to assess the applicability of asymptotic functions for determining the value of CN parameter as a function of precipitation depth in mountain and upland catchments. The analyses were carried out in two catchments: the Rudawa, left tributary of the Vistula, and the Kamienica, right tributary of the Dunajec. The input material included data on precipitation and flows for a multi-year period 1980–2012, obtained from IMGW PIB in Warsaw. Two models were used to determine empirical values of CNobs parameter as a function of precipitation depth: standard Hawkins model and 2-CN model allowing for a heterogeneous nature of a catchment area.

FTIR spectroscopic study on the Hofmann -Td- type clathrates: Ni(benzoic acid)2M(CN)4.aniline (M=Zn, Cd, Hg)

International Nuclear Information System (INIS)

Kesan, G.; Kartal, Z.

2010-01-01

The Hofmann-Td-type clathrates formulated as Ni(L) 2 M(CN) 4 .nG where L is a bidentate or a pair of unidentate ligand molecule, M is Zn, Cd or Hg, G is a guest molecule and n is the number of guest molecule. The host lattice of the Hofmann-Td-type clathrates is formed from endless chains of -Ni-L-L-Ni-L-L-Ni- and M(CN) 4 ions arranged between the consecutive crossing -Ni-L-L-Ni-L-L-Ni- chains with the O-ends bound to the Ni metal atoms. These polymeric layers are held in parallel by Van der Walls interaction between ligand molecules. This structure provides α-type cavity. In this study, Ni(Benzoic Acid ) 2M(CN) 4 .Aniline (M = Zn, Cd, Hg) is obtained for the first time by means of chemical methods in powder form and their infrared spectra are reported in range of (4000-400) cm - 1. The spectral data suggest that the new clathrates are similar in structure to the Hofmann-type clathrates.

Water channel reactor fuels and fuel channels: Design, performance, research and development. Proceedings of a technical committee meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-01-01

The International Working Group on Water Reactor Fuel Performance and Technology (IWGFPT) recommended holding a Technical Committee Meeting on Water Channel Reactor Fuel including into this category fuels and pressure tubes/fuel channels for Atucha-I and II, BWR, CANDU, FUGEN and RBMK reactors. The IWGFPT considered that even if the characteristics of Atucha, CANDUs, BWRs, FUGEN and RBMKs differ considerably, there are also common features. These features include materials aspects, as well as core, fuel assembly and fuel rod design, and some safety issues. There is also some similarity in fuel power history and operating conditions (Atucha-I and II, FUGEN and RBMK). Experts from 11 countries participated at the meeting and presented papers on technology, performance, safety and design, and materials aspects of fuels and pressure tubes/fuel channels for the above types of water channel reactors. Refs, figs, tabs.

Steam generator materials and secondary side water chemistry in nuclear power stations

International Nuclear Information System (INIS)

Rudelli, M.D.

1979-04-01

The main purpose of this work is to summarize the European and North American experiences regarding the materials used for the construction of the steam generators and their relative corrosion resistance considering the water chemestry control method. Reasons underlying decision for the adoption of Incoloy 800 as the material for the secondary steam generator system for Atucha I Nuclear Power Plant (Atucha Reactor) and Embalse de Rio III Nuclear Power Plant (Cordoba Reactor) are pointed out. Backup information taken into consideration for the decision of utilizing the All Volatil Treatment for the water chemistry control of the Cordoba Reactor is detailed. Also all the reasonswhich justify to continue with the congruent fosfatic method for the Atucha Reactor are analyzed. Some investigation objectives which would eventually permit the revision of the decisions taken on these subjects are proposed. (E.A.C.) [es

Water channel reactor fuels and fuel channels: Design, performance, research and development. Proceedings of a technical committee meeting

International Nuclear Information System (INIS)

1998-01-01

The International Working Group on Water Reactor Fuel Performance and Technology (IWGFPT) recommended holding a Technical Committee Meeting on Water Channel Reactor Fuel including into this category fuels and pressure tubes/fuel channels for Atucha-I and II, BWR, CANDU, FUGEN and RBMK reactors. The IWGFPT considered that even if the characteristics of Atucha, CANDUs, BWRs, FUGEN and RBMKs differ considerably, there are also common features. These features include materials aspects, as well as core, fuel assembly and fuel rod design, and some safety issues. There is also some similarity in fuel power history and operating conditions (Atucha-I and II, FUGEN and RBMK). Experts from 11 countries participated at the meeting and presented papers on technology, performance, safety and design, and materials aspects of fuels and pressure tubes/fuel channels for the above types of water channel reactors

Toward structural dynamics: protein motions viewed by chemical shift modulations and direct detection of C'N multiple-quantum relaxation.

Science.gov (United States)

Mori, Mirko; Kateb, Fatiha; Bodenhausen, Geoffrey; Piccioli, Mario; Abergel, Daniel

2010-03-17

Multiple quantum relaxation in proteins reveals unexpected relationships between correlated or anti-correlated conformational backbone dynamics in alpha-helices or beta-sheets. The contributions of conformational exchange to the relaxation rates of C'N coherences (i.e., double- and zero-quantum coherences involving backbone carbonyl (13)C' and neighboring amide (15)N nuclei) depend on the kinetics of slow exchange processes, as well as on the populations of the conformations and chemical shift differences of (13)C' and (15)N nuclei. The relaxation rates of C'N coherences, which reflect concerted fluctuations due to slow chemical shift modulations (CSMs), were determined by direct (13)C detection in diamagnetic and paramagnetic proteins. In well-folded proteins such as lanthanide-substituted calbindin (CaLnCb), copper,zinc superoxide dismutase (Cu,Zn SOD), and matrix metalloproteinase (MMP12), slow conformational exchange occurs along the entire backbone. Our observations demonstrate that relaxation rates of C'N coherences arising from slow backbone dynamics have positive signs (characteristic of correlated fluctuations) in beta-sheets and negative signs (characteristic of anti-correlated fluctuations) in alpha-helices. This extends the prospects of structure-dynamics relationships to slow time scales that are relevant for protein function and enzymatic activity.

Franklin Medal and Bower prize awarded to C.N. Yang. On the Yang-Mills gauge field theory

International Nuclear Information System (INIS)

Ma Zhongqi

1995-01-01

C.N. Yang was awarded the Benjamin Franklin Medal and 1995 Bower Prize mainly for his fundamental work on nonabelian gauge field theory. A brief introduction to this theory and its important role in the development of physics is given

K3[Fe(CN)6].3H2O supported on silica gel: An efficient and selective ...

Indian Academy of Sciences (India)

Department of Chemistry, Payame Noor University, 19395-4697 Tehran, I. R. of IRAN e-mail: ... K3[Fe(CN)6].3H2O, Silica gel; oxime; aldehyde; ketone. 1. Introduction .... ysis, hydrogenation, etc., using organic and inorganic reagents. Besides ...

A [4Fe-4S]-Fe(CO)(CN)-l-cysteine intermediate is the first organometallic precursor in [FeFe] hydrogenase H-cluster bioassembly

Science.gov (United States)

Rao, Guodong; Tao, Lizhi; Suess, Daniel L. M.; Britt, R. David

2018-05-01

Biosynthesis of the [FeFe] hydrogenase active site (the 'H-cluster') requires the interplay of multiple proteins and small molecules. Among them, the radical S-adenosylmethionine enzyme HydG, a tyrosine lyase, has been proposed to generate a complex that contains an Fe(CO)2(CN) moiety that is eventually incorporated into the H-cluster. Here we describe the characterization of an intermediate in the HydG reaction: a [4Fe-4S][(Cys)Fe(CO)(CN)] species, 'Complex A', in which a CO, a CN- and a cysteine (Cys) molecule bind to the unique 'dangler' Fe site of the auxiliary [5Fe-4S] cluster of HydG. The identification of this intermediate—the first organometallic precursor to the H-cluster—validates the previously hypothesized HydG reaction cycle and provides a basis for elucidating the biosynthetic origin of other moieties of the H-cluster.

A localized surface plasmon resonance (LSPR) immunosensor for CRP detection using 4-chloro-1-naphtol (4-CN) precipitation

Science.gov (United States)

Ha, Su-Ji; Park, Jin-Ho; Byun, Ju-Young; Ahn, Young-Deok; Kim, Min-Gon

2017-07-01

In this study, C-reactive protein (CRP) was detected by monitoring of LSPR shift promoted by precipitation of 4-chloro-1-naphthol (4-CN). The precipitation occurred by horseradish peroxide (HRP) catalyst which is modified at CRP-detection antibody utilized in sandwich enzyme-linked immunosorbent assay (ELISA) on gold nano bipyramid (GNBP) substrate. Due to 4-CN precipitates which are located nearby the surface of GNBP, local refractive index (RI) and molecular density were greatly increased. This phenomenon eventually induced strong spectral red-shift of absorption band of GNBP. An excellent linear relationship (R2=0.9895) between the LSPR shift and CRP concentration was obtained in the range from 100 pg/mL to 100 ng/mL and limit of detection (LOD) was reached to 87 pg/mL.

Framework for event-based semidistributed modeling that unifies the SCS-CN method, VIC, PDM, and TOPMODEL

Science.gov (United States)

Bartlett, M. S.; Parolari, A. J.; McDonnell, J. J.; Porporato, A.

2016-09-01

Hydrologists and engineers may choose from a range of semidistributed rainfall-runoff models such as VIC, PDM, and TOPMODEL, all of which predict runoff from a distribution of watershed properties. However, these models are not easily compared to event-based data and are missing ready-to-use analytical expressions that are analogous to the SCS-CN method. The SCS-CN method is an event-based model that describes the runoff response with a rainfall-runoff curve that is a function of the cumulative storm rainfall and antecedent wetness condition. Here we develop an event-based probabilistic storage framework and distill semidistributed models into analytical, event-based expressions for describing the rainfall-runoff response. The event-based versions called VICx, PDMx, and TOPMODELx also are extended with a spatial description of the runoff concept of "prethreshold" and "threshold-excess" runoff, which occur, respectively, before and after infiltration exceeds a storage capacity threshold. For total storm rainfall and antecedent wetness conditions, the resulting ready-to-use analytical expressions define the source areas (fraction of the watershed) that produce runoff by each mechanism. They also define the probability density function (PDF) representing the spatial variability of runoff depths that are cumulative values for the storm duration, and the average unit area runoff, which describes the so-called runoff curve. These new event-based semidistributed models and the traditional SCS-CN method are unified by the same general expression for the runoff curve. Since the general runoff curve may incorporate different model distributions, it may ease the way for relating such distributions to land use, climate, topography, ecology, geology, and other characteristics.

Hallucinogen-like effects of 2-([2-(4-cyano-2,5-dimethoxyphenyl) ethylamino]methyl)phenol (25CN-NBOH), a novel N-benzylphenethylamine with 100-fold selectivity for 5-HT2A receptors, in mice

DEFF Research Database (Denmark)

Fantegrossi, William E; Gray, Bradley W; Bailey, Jessica M

2015-01-01

RATIONALE: 2-([2-(4-cyano-2,5-dimethoxyphenyl)ethylamino]methyl)phenol (25CN-NBOH) is structurally similar to N-benzyl substituted phenethylamine hallucinogens currently emerging as drugs of abuse. 25CN-NBOH exhibits dramatic selectivity for 5-HT2A receptors in vitro, but has not been behaviorally...... an intermediate degree of generalization (55 %) for the DOI training dose, and these interoceptive effects were attenuated by M100907. Finally, 25CN-NBOH did not generalize to M100907 at any dose, but ketanserin fully substituted in these animals. CONCLUSIONS: 25CN-NBOH was behaviorally active, but less effective...

Physical Properties of (NH4)2Pt(CN)4[Clo.42].3H2O: A new Quasi-One-Dimensional Conductor

DEFF Research Database (Denmark)

Carneiro, Kim; Petersen, A. S.; Underhill, A. E.

1979-01-01

The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest for the the......The quasi-one-dimensional conductor (NH4)2[Pt(CN)4]Cl0.42·3H2O, ACP(Cl), has been studied experimentally by means of electrical conduction measurements, x-ray diffuse scattering, and neutron inelastic scattering. This allows the determination of all the physical parameters of interest...

Scaling analysis of [Fe(pyrazole)4]2[Nb(CN)8] molecular magnet

Science.gov (United States)

Konieczny, P.; Pełka, R.; Zieliński, P. M.; Pratt, F. L.; Pinkowicz, D.; Sieklucka, B.; Wasiutyński, T.

2013-10-01

The critical behaviour of the three dimensional (3D) molecular magnet {[FeII(pirazol)4]2[NbIV(CN)8]·4H2O}n has been studied with the use of experimental techniques such as ac magnetometry and zero field μSR spectroscopy. The sample orders magnetically below Tc=7.8 K. The measurements allowed to determine static exponents β, γ, and the dynamic exponent w. The resulting exponent values indicate that the studied system belongs to the universality class of the 3D Heisenberg model.

Effects of carbohydrate source for maintaining a high C:N ratio and fish driven re-suspension on pond ecology and production in periphyton-based freshwater prawn culture systems

NARCIS (Netherlands)

Asaduzzaman, M.; Wahab, M.A.; Verdegem, M.C.J.; Adhikary, R.K.; Rahman, S.M.S.; Azim, M.E.; Verreth, J.A.J.

2010-01-01

The present research investigated the effect of carbohydrate (CH) source for maintaining a high C:N ratio, and tilapia driven bioturbation on pond ecology, production and economical performances in C/N controlled periphyton-based (C/N-CP) freshwater prawn ponds. Two carbohydrate sources (high-cost

New fuel advanced heavy water reactors

International Nuclear Information System (INIS)

Notari, Carla

1999-01-01

A redesign of the PHWR fuel element (FE) to be used in all Argentine nuclear power plants has been proposed elsewhere. This new FE presents several characteristics aimed to an improved in-core performance and economical benefits derived from the unification of most of the fabrication processes that today constitute two different production lines: one for Embalse nuclear power plant CANDU type fuel and another for Atucha I. Atucha I and Embalse, the two operating nuclear power plants in Argentina, are PHWR of different conception. Atucha I (357 M we) is of pressure vessel type and the fuel elements are full-length assemblies (530 cm of active length) with 36 uranium rods in the cluster and a support one in the outer ring. Embalse (648 M we) is a CANDU pressure tube reactor fuelled with the well known 37 rod / 50 cm length fuel bundles, twelve of which are loaded in each channel. The more relevant changes in the proposed design are an increased subdivision of the fuel material in 52 rods and a 100 cm long bundle. The combined features give the adequate channel pressure drop. The proposed CARA design shows a superior neutronic performance than the standard PHWR fuel elements currently used in Atucha I and Embalse nuclear power plants. A variant of the CARA FE consisting in the elimination of the central four rods, leaving 48 rods and a central free space, is strongly recommended because it saves materials (less uranium, less sheaths) with no loss of burnup. The central D 2 O zone allows a better utilization of the inner rods and compensates the diminished uranium loading. In Embalse no differences in core physics are expected except the beneficial decrease in linear power density. In Atucha I besides the lower power density, a higher exit burnup appears as a consequence of the higher uranium inventory. The exit burnup figures have been calculated with cell and reactor models and the result is that similar fuel management schemes as the proposed for Atucha I for the

Reciprocal polyhedra and the Euler relationship: cage hydrocarbons, CnHn and closo-boranes [BxHx]2−

Directory of Open Access Journals (Sweden)

Henning Hopf

2011-02-01

Full Text Available The closo-boranes BxHx+2, or their corresponding anions [BxHx]2− (where x = 5 through 12 and polycycloalkanes CnHn (where n represents even numbers from 6 through 20 exhibit a complementary relationship whereby the structures of the corresponding molecules, e.g., [B6H6]2− and C8H8 (cubane, are based on reciprocal polyhedra. The vertices in the closo-boranes correspond to faces in its polycyclic hydrocarbon counterpart and vice versa. The different bonding patterns in the two series are described. Several of these hydrocarbons (cubane, pentagonal dodecahedrane and the trigonal and pentagonal prismanes are known while others still remain elusive. Synthetic routes to the currently known CnHn highly symmetrical polyhedral species are briefly summarized and potential routes to those currently unknown are discussed. Finally, the syntheses of the heavier element analogues of cubane and the prismanes are described.

Crystallographic and infrared spectroscopic study of bond distances in Ln[Fe(CN)6].4H2O (Ln=lanthanide)

International Nuclear Information System (INIS)

Zhou Xianju; Wong, W.-T.; Faucher, Michele D.; Tanner, Peter A.

2008-01-01

Along with crystallographic data of Ln[Fe(CN) 6 ].4H 2 O (Ln=lanthanide), the infrared spectra are reassigned to examine bond length trends across the series of Ln. The changes in mean Ln-O, Ln-N, C≡N and Fe-C distances are discussed and the bond natures of Ln-N and Ln-O are studied by bond length linear or quadratic fitting and comparisons with relevant ionic radii. The two different C≡N bond distances have been simulated by the covalo-electrostatic model. - Graphical abstract: Crystallographic and FTIR data for Ln[Fe(CN) 6 ].4H 2 O enable the changes in Ln-O, Ln-N, C≡N and Fe-C distances to be determined and modeled across the lanthanide series

Distinct features of C/N balance regulation in Prochlorococcus sp. strain MIT9313.

Science.gov (United States)

Domínguez-Martín, María Agustina; López-Lozano, Antonio; Rangel-Zúñiga, Oriol Alberto; Díez, Jesús; García-Fernández, José Manuel

2018-02-01

The abundance and significant contribution to global primary production of the marine cyanobacterium Prochlorococcus have made it one of the main models in marine ecology. Several conditions known to cause strong effects on the regulation of N-related enzymes in other cyanobacteria lacked such effect in Prochlorococcus. Prochlorococcus sp. strain MIT9313 is one of the most early-branching strains among the members of this genus. In order to further understand the C/N control system in this cyanobacterium, we studied the effect of the absence of three key elements in the ocean, namely N, P and Fe, as well as the effect of inhibitors of the N assimilation or photosynthesis on the N metabolism of this strain. Furthermore, we focused our work in the effect of ageing, as the age of cultures has clear effects on the regulation of some enzymes in Prochlorococcus. To reach this goal, expression of the main three regulators involved in N assimilation in cyanobacteria, namely ntcA, glnB and pipX, as well as that of icd (encoding for isocitrate dehydrogenase) were analysed. Our results show that the control of the main proteins involved in the C/N balance in strain MIT9313 differs from other model Prochlorococcus strains. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Light fragment preformation in cold fission of {sup 282}Cn

Energy Technology Data Exchange (ETDEWEB)

Poenaru, D.N.; Gherghescu, R.A. [Horia Hulubei National Institute of Physics and Nuclear Engineering (IFIN-HH), P.O. Box MG-6, Bucharest-Magurele (Romania); Johann Wolfgang Goethe University, Frankfurt Institute for Advanced Studies (FIAS), Frankfurt am Main (Germany)

2016-11-15

In a previous article, published in Phys. Rev. C 94, 014309 (2016), we have shown for the first time that the best dynamical trajectory during the deformation toward fission of the superheavy nucleus {sup 286}Fl is a linearly increasing radius of the light fragment, R{sub 2}. This macroscopic-microscopic result reminds us about the α or cluster preformation at the nuclear surface, assumed already in 1928, and proved microscopically many times. This time we give more detailed arguments for the nucleus {sup 282}Cn. Also similar figures are presented for heavy nuclei {sup 240}Pu and {sup 252} Cf. The deep minimum of the total deformation energy near the surface is shown for the first time as a strong argument for cluster preformation. (orig.)

Superconductivity of k-(BEDT-TTF) sub 2 Cu[N(CN) sub 2]I under pressure

CERN Document Server

Kushch, N D; Yagubskii, E B; Ishiguro, T

2001-01-01

The insulating state of k-(BEDT-TTF) sub 2 Cu[N(CN) sub 2]I salt appearing at ambient pressure at low temperatures is suppressed by hydrostatic pressure. The resistive measurement showed that in high-quality crystals the emerging metallic state reveals superconductivity. The superconducting state with the transition temperature of about 8 K is stable at pressures higher than 0.1 GPa

Operational experience with the first eighteen slightly enriched uranium fuel assemblies in the Atucha-1 nuclear power plant

International Nuclear Information System (INIS)

Higa, M.; Perez, R.; Pineyro, J.; Sidelnik, J.; Fink, J.; Casario, J.A.; Alvarez, L.

1997-01-01

Atucha I is a 357 Mwe nuclear station, moderated and cooled with heavy water, pressure vessel type of German design, located in Argentina. Fuel assemblies (FA) are 36 active natural UO2 rod clusters, 5.3 meters long and fuel is on power. Average FA exit burnup is 6 MWd/kg U. The reactor core contains 252 FA. To reduce the fuel costs about 6 MU$S/yr a program of utilization of SEU (0.85 %w U235) fuel was started at the beginning of 1995 with the introduction of 12 FA in the first step. The exit burnup of FA is approx. 10 MWd/kgU. It is planned to increase gradually the number of them up to having a full core with SEU fuel with an expected FA average exit burnup of 11 MWd/kgU. The SEU program has also the advantage of a strong reduction of spent fuel volume, and a moderate reduction of fuelling machine use. This paper presents the satisfactory operation experience with the introduction of the first 12 SEU fuel assemblies and the planned activities for the future. The fresh SEU fuel assemblies were introduced in six fuel channels located in an intermediate zone located 136 cm from the center of the reactor and selected because they have higher margins to the channel powers limits to accommodate the initial 15 to 20 % relative channel power increase. To verify the design and fuel management calculations, comparisons have been made of the calculated and measured values of the variation of channel ΔT, regulating rods insertion and flux reading in in-core detectors near to the refueled channel. The agreement was good and in most of the cases within the measurement errors. Cell calculations were made with WIMS-D4, and reactor calculations with PUMA. a fuel management 3D diffusion program developed in Argentina. With SEU fuel with a greater burnup in the central high power core region, new operating procedures were developed to prevent PCI failures in fuel power ramps that arise during operation. Some fuel rod and structural assembly design changes were introduced on the

Capturing inhomogeneous broadening of the -CN stretch vibration in a Langmuir monolayer with high-resolution spectra and ultrafast vibrational dynamics in sum-frequency generation vibrational spectroscopy (SFG-VS)

Science.gov (United States)

Velarde, Luis; Wang, Hong-fei

2013-08-01

While in principle the frequency-domain and time-domain spectroscopic measurements should generate identical information for a given molecular system, the inhomogeneous character of surface vibrations in sum-frequency generation vibrational spectroscopy (SFG-VS) studies has only been studied with time-domain SFG-VS by mapping the decay of the vibrational polarization using ultrafast lasers, this due to the lack of SFG vibrational spectra with high enough spectral resolution and accurate enough lineshape. Here, with the recently developed high-resolution broadband SFG-VS (HR-BB-SFG-VS) technique, we show that the inhomogeneous lineshape can be obtained in the frequency-domain for the anchoring CN stretch of the 4-n-octyl-4'-cyanobiphenyl (8CB) Langmuir monolayer at the air-water interface, and that an excellent agreement with the time-domain SFG free-induction-decay can be established. We found that the 8CB CN stretch spectrum consists of a single peak centered at 2234.00 ± 0.01 cm-1 with a total linewidth of 10.9 ± 0.3 cm-1 at half maximum. The Lorentzian contribution accounts only for 4.7 ± 0.4 cm-1 to this width and the Gaussian (inhomogeneous) broadening for as much as 8.1 ± 0.2 cm-1. Polarization analysis of the -CN spectra showed that the -CN group is tilted 57° ± 2° from the surface normal. The large heterogeneity in the -CN spectrum is tentatively attributed to the -CN group interactions with the interfacial water molecules penetrated/accommodated into the 8CB monolayer, a unique phenomenon for the nCB Langmuir monolayers reported previously.

Branching fractions of the CN + C3H6 reaction using synchrotron photoionization mass spectrometry: evidence for the 3-cyanopropene product.

Science.gov (United States)

Trevitt, Adam J; Soorkia, Satchin; Savee, John D; Selby, Talitha S; Osborn, David L; Taatjes, Craig A; Leone, Stephen R

2011-11-24

The gas-phase CN + propene reaction is investigated using synchrotron photoionization mass spectrometry (SPIMS) over the 9.8-11.5 eV photon energy range. Experiments are conducted at room temperature in 4 Torr of He buffer gas. The CN + propene addition reaction produces two distinct product mass channels, C(3)H(3)N and C(4)H(5)N, corresponding to CH(3) and H elimination, respectively. The CH(3) and H elimination channels are measured to have branching fractions of 0.59 ± 0.15 and 0.41 ± 0.10, respectively. The absolute photoionization cross sections between 9.8 and 11.5 eV are measured for the three considered H-elimination coproducts: 1-, 2-, and 3-cyanopropene. Based on fits using the experimentally measured photoionization spectra for the C(4)H(5)N mass channel and contrary to the previous study (Int. J. Mass. Spectrom.2009, 280, 113-118), where it was concluded that 3-cyanopropene was not a significant product, the new data suggests 3-cyanopropene is produced in significant quantity along with 1-cyanopropene, with isomer branching fractions from this mass channel of 0.50 ± 0.12 and 0.50 ± 0.24, respectively. However, similarities between the 1-, 2-, and 3-cyanopropene photoionization spectra make an unequivocal assignment difficult based solely on photoionization spectra. The CN + CH(2)CHCD(3) reaction is studied and shows, in addition to the H-elimination product signal, a D-elimination product channel (m/z 69, consistent with CH(2)CHCD(2)CN), providing further evidence for the formation of the 3-cyanopropene reaction product.

Experience in construction and operation of HWR plants in Argentina

International Nuclear Information System (INIS)

Madero, C.C.; Cosentino, J.O.

1982-01-01

''ATUCHA I'', the first nuclear power plant in Argentina, is in commerical operation since 1974 with a high capacity factor. The reactor is based on the MZFR prototype designed by SIEMENS with natural uranium and heavy water and PWR technic. The plant was built by SIEMENS on a turnkey contract and was rated 340 MWe. The offer presented in that opportunity by KWU was based on two reactors (ATUCHA I type) inside one single containment, due to the limitation in power of the reactor. Subsequent changes in the nature of the contract resulted in an active participation of CNEA engineering groups in the erection and commissioning of the reactor. In 1978 the national government approved a nuclear power plan to install four 600 MWe HWR plants until 1995. To start implementing this program, CNEA called for tenders for the supply of components and services for the ATUCHA II plant, in connection with the establishment of a local engineering company and the supply and construction of a heavy water production plant. In 1980 a contract was signed with KWU and the local company ENACE was formed to act as architect engineer and site coordinator. The plant will be located in the ATUCHA I site and the reactor will be similar but double in power to that one. Following the schedule of the nuclear plan, CNEA has just started preliminary studies for the next nuclear plant. ENACE will be responsible for the preparation of an offer for an ATUCHA reactor type. Local engineering and manufacturing firms, upon request and coordination from CNEA, and evaluating the local capacity to participate in the design and construction of a CANDU type nuclear plant. Final decision on this fourth nuclear plant in Argentina will be taken middle 1983. (J.P.N.)

Alterações da relação C/N de um Latossolo Vermelho-Amarelo sob diferentes coberturas vegetais em Brasnorte – MT. Changes in C/N relation of a Red-Yellow Latosol under different plant cultivations in Brasnorte – MT.

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Cristiane Ramos VIEIRA

2014-12-01

Full Text Available Este estudo objetivou analisar as alterações nos teores de carbono e de nitrogênio e na relação C/N em solos sob diferentes coberturas. Os sistemas avaliados foram: Floresta Secundária, pastagem, e plantios de teca (Tectona grandis com 8, 13, 16 e 19 anos, utilizando o delineamento inteiramente casualizado para a coleta do solo nas profundidades 0 a 5, 5 a 10 e 10 a 20 cm. Nas áreas dos plantios de T. grandis as amostras de solo foram coletadas na projeção da copa e nas entrelinhas, e nas áreas de pastagem e de Floresta Secundária a coleta foi aleatória. Verificou-se que os teores de carbono orgânico total – COT foram mais elevados nas primeiras camadas de solo, diminuindo conforme a profundidade. A manutenção dos teores de C e de N, semelhantes aos da Floresta Secundária, permitem caracterizar o solo dos sistemas pastagem e de cultivo de T. grandis como quimicamente não degradados, sendo que os valores de relação C/N indicam que o processo dominante em todos os sistemas foi a mineralização. This study aimed to analyze the changes in the levels of carbon and nitrogen and C/N relation in different soil covers. The systems evaluated were: Secondary Forest, pasture, and plantations of teak at 8, 13, 16 and 19 years old, using a completely randomized design in split plot to collect soil in three depths (0-5, 5-10 and 10-20 cm. In the area of teak plantations samples of soil were collected on the projection of the tree crown and between lines, in the pasture and Secondary Forest they were collected randomly. It was found that the concentration of total organic carbon – TOC was higher in the first depth, decreasing as the depth. The maintenance of the levels of C and N similar to Secondary Forest can characterize the soil of grass pastures systems and cultivation of teak as chemical not degraded and C/N relation indicates that the dominant process on all systems was the mineralization.

Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

Energy Technology Data Exchange (ETDEWEB)

Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

1980-01-01

The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf.

Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

International Nuclear Information System (INIS)

Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

1980-01-01

The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf

Statistical optimization of fermentative hydrogen production from xylose by newly isolated Enterobacter sp. CN1

Energy Technology Data Exchange (ETDEWEB)

Long, Chuannan; Cui, Jingjing; Liu, Zuotao; Liu, Yuntao; Hu, Zhong [Department of Biology, Shantou University, Shantou 515063 (China); Long, Minnan [The School of Energy Research, Xiamen University, Xiamen 361005 (China)

2010-07-15

Statistical experimental designs were applied for the optimization of medium constituents for hydrogen production from xylose by newly isolated Enterobacter sp. CN1. Using Plackett-Burman design, xylose, FeSO{sub 4} and peptone were identified as significant variables which highly influenced hydrogen production. The path of steepest ascent was undertaken to approach the optimal region of the three significant factors. These variables were subsequently optimized using Box-Behnken design of response surface methodology (RSM). The optimum conditions were found to be xylose 16.15 g/L, FeSO{sub 4} 250.17 mg/L, peptone 2.54 g/L. Hydrogen production at these optimum conditions was 1149.9 {+-} 65 ml H{sub 2}/L medium. Under different carbon sources condition, the cumulative hydrogen volume were 1217 ml H{sub 2}/L xylose medium, 1102 ml H{sub 2}/L glucose medium and 977 ml H{sub 2}/L sucrose medium; the maximum hydrogen yield were 2.0 {+-} 0.05 mol H{sub 2}/mol xylose, 0.64 mol H{sub 2}/mol glucose. Fermentative hydrogen production from xylose by Enterobacter sp. CN1 was superior to glucose and sucrose. (author)

The Effects of Fiddler Crabs (Uca sp on C/N Ratio and Redox Potential of Soil in Mangrove Ecosystems

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Mulyanto Mulyanto

2017-08-01

Full Text Available Research has been done in Ketapang mangrove area of  Probolinggo city in months of September-November 2015. The objectives are to observe the fiddler crab community stucture and to analyze the effects of fiddler crabs on C/N ratio and redox potential of soil in mangrove ecosystems. The samples of fiddler crabs were taken during the low tides at 4 station (20 transects with sizes of 1 m2. Data of the fiddler crabs were measured from the soil digging insides the transect. The soil samples were taken from these crab holes wall (at the surface and at the depth of 20 cm, under the holes at the depth of 40 cm as well as from the locations that undwells by these animals at the same depth. The fiddler crab identified are U. Triangularis between 2 – 6 ind/m2, U paradussumieri 1 – 3 ind/m2, U perplexa 14 – 32 ind/m2, U dussumieri 12 – 27 ind/m2 and U. Tetragonon 3 – 6 ind/m2. The diversity is moderate (H = 1.7 and the dominance index was low (C = 0.37. C/N ratio soil were inhabited by fiddler crab between 6 – 14, the undwelled area were 14 – 20. Soil C/N ratio was inhabited by the fiddler crab at the surface and depth of 20 cm in average of 9 cm while at 40 cm in avergae of 12. The low of C/N ratio at surface and depth of 20 cm causing the organic matter turnover faster because the high nitorgen content. Soil potential redox (Eh the undwelled areas was found –0.647 mV, meanwhile the soil Eh in the dwelled areas was positive (0.68 till 0.87 mV. This mean, the decpmposition was occured during aerobic condition and will produce untoxic subtances.

Resonance Raman detection of iron-ligand vibrations in cyano(pyridine)(octaethylporphinato)iron(III): Effects of pyridine basicity on the Fe-CN bond strength

International Nuclear Information System (INIS)

Uno, Tadayuki; Hatano, Keiichiro; Nishimura, Yoshifumi; Arata, Yoji

1988-01-01

The influence of axial ligand basicity on the bonding of iron(III) in cyano adducts of octaethylporphyrin has been studied by resonance Raman spectroscopy. In a six-coordinate ferric low-spin complex, cyano(pyridine)(octaethylporphinato)iron(III), Fe(OEP)(CN)(py), Raman lines at 449 and 191 cm -1 were assigned to the ν(Fe-CN) and ν(Fe-py) stretching modes, respectively. When pyridine was displaced with its derivatives, py-X, where X = 4-cyano, 3-acetyl, 3-methyl, 4-methyl, 3,4-dimethyl, and 4-dimethylamino, the ν(Fe-CN) stretching frequency was found to decrease in the complex with a high pyridine basicity. It was concluded that the stronger the trans pyridine basicity, the weaker the iron-carbon (cyanide) bond. A clear frequency shift was observed in the ν 4 model, though most of the porphyrin vibrations were insensitive to the ligand substitution. The frequency of the ν 4 mode, which is the C a -N(pyrrole) breathing vibration of the porphyrin skeleton, was found to increase with an increase in pyridine basicity. This is contrary to what was found in ferrous low-spin hemes as CO complexes. The ν 4 shift in the CN complexes was explained in terms of forward π donation; donation of electrons from the porphyrin π orbital to the d π vacancy of the low-spin iron(III) weakened the C a -N(pyrrole) bonds and hence decreased the ν 4 frequency. 32 references, 8 figures

Coupling Modified Linear Spectral Mixture Analysis and Soil Conservation Service Curve Number (SCS-CN Models to Simulate Surface Runoff: Application to the Main Urban Area of Guangzhou, China

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Jianhui Xu

2016-11-01

Full Text Available Land surface characteristics, including soil type, terrain slope, and antecedent soil moisture, have significant impacts on surface runoff during heavy precipitation in highly urbanized areas. In this study, a Linear Spectral Mixture Analysis (LSMA method is modified to extract high-precision impervious surface, vegetation, and soil fractions. In the modified LSMA method, the representative endmembers are first selected by combining a high-resolution image from Google Earth; the unmixing results of the LSMA are then post-processed to reduce errors of misclassification with Normalized Difference Built-up Index (NDBI and Normalized Difference Vegetation Index (NDVI. The modified LSMA is applied to the Landsat 8 Operational Land Imager (OLI image from 18 October 2015 of the main urban area of Guangzhou city. The experimental result indicates that the modified LSMA shows improved extraction performance compared with the conventional LSMA, as it can significantly reduce the bias and root-mean-square error (RMSE. The improved impervious surface, vegetation, and soil fractions are used to calculate the composite curve number (CN for each pixel according to the Soil Conservation Service curve number (SCS-CN model. The composite CN is then adjusted with regional data of the terrain slope and total 5-day antecedent precipitation. Finally, the surface runoff is simulated with the SCS-CN model by combining the adjusted CN and real precipitation data at 1 p.m., 4 May 2015.

Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions.

Science.gov (United States)

Zheng, Haiyan; Li, Kuo; Cody, George D; Tulk, Christopher A; Dong, Xiao; Gao, Guoying; Molaison, Jamie J; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; Ivanov, Ilia N; Basile, Leonardo; Idrobo, Juan-Carlos; Guthrie, Malcolm; Mao, Ho-Kwang

2016-09-19

Acetonitrile (CH3 CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. It is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH⋅⋅⋅N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp(2) and sp(3) bonded carbon. Finally, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

International Nuclear Information System (INIS)

Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo

2015-01-01

Highlights: • The CN + C 2 H 4 reaction was investigated in crossed beam experiments. • Electronic structure calculations of the potential energy surface were performed. • RRKM estimates qualitatively reproduce the experimental C 2 H 3 NC yield. - Abstract: The CN + C 2 H 4 reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice–Ramsperger–Kassel–Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH 2 CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C 2 H 3 NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments

Trends in Strong Chemical Bonding in C2, CN, CN-, CO, N2, NO, NO+, and O2

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2017-01-01

The strong chemical bonds between C, N, and O play a central role in chemistry, and their formation and cleavage are critical steps in very many catalytic processes. The close-lying molecular orbital energies and large correlation effects pose a challenge to electronic structure calculations and ...

Humic acid batteries derived from vermicomposts at different C/N ratios

Science.gov (United States)

Shamsuddin, R. M.; Borhan, A.; Lim, W. K.

2017-06-01

Humic acid is a known fertilizer derived from decomposed organic matters. Organic wastes are normally landfilled for disposal which had contributed negatively to the environment. From waste-to-wealth perspective, such wastes are potential precursors for compost fertilizers. When worms are added into a composting process, the process is termed as vermicomposting. In this work, humic acid from vermicompost derived from campus green wastes was developed into a battery. This adds value proposition to compost instead of being traditionally used solely as soil improver. This research work aimed to study the correlation between electrical potential generated by humic acid at different Carbon to Nitrogen (C/N) ratios of vermicompost at 20, 25, 30 and 35. The temperature and pH profiles of composting revealed that the compost was ready after 55 days. The humic acid was extracted from compost via alkaline extraction followed by precipitation in a strong acid. The extracted humic acid together with other additives were packed into a compartment and termed as vermibattery. Another set of battery running only on the additives was also prepared as a control. The net voltage produced by a single vermibattery cell with Zn and PbO electrodes was in the range of 0.31 to 0.44 V with compost at C/N ratio of 30 gave the highest voltage. The battery can be connected in series to increase the voltage generation. Quality assessment on the compost revealed that the final carbon content is between 16 to 23 wt%, nitrogen content of 0.4 to 0.5 wt%, humic acid yield of 0.7 to 1.5 wt% and final compost mass reduction of 10 to 35 wt%. Composting campus green wastes carries multi-fold benefits of reducing labour requirement, generating fertilizer for campus greenery and green battery construction.

Characterization of NCAM expression and function in BT4C and BT4Cn glioma cells

DEFF Research Database (Denmark)

Andersson, A M; Moran, N; Gaardsvoll, H

1991-01-01

The neural cell adhesion molecule, NCAM, plays an important role in cell-cell adhesion. Therefore, we have studied NCAM expression in the glioma cell lines BT4C and BT4Cn. We demonstrate that the 2 cell lines differ in their metastatic ability; while BT4C cells have a very low capacity for produc...

An efficient solvent-free synthesis of imidazolines and benzimidazoles using K 4[Fe(CN 6] catalysis

Directory of Open Access Journals (Sweden)

Kabeer A. Shaikh

2012-01-01

Full Text Available Imidazolines and Benzimidazoles have been efficiently synthesized in high yields by treatment of 1,2-diamine with aldehydes using the metal co-ordinate complex K 4[Fe(CN 6] as a catalysis. The method was carried out under solvent free condition via oxidation of carbon-nitrogen bond. The process is green, mild and inexpensive.

Molecules based on M(v) (M=Mo, W) and Ni(II) ions: a new class of trigonal bipyramidal cluster and confirmation of SMM behavior for the pentadecanuclear molecule {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[micro-CN]30[WV(CN)3]6}.

Science.gov (United States)

Hilfiger, Matthew G; Zhao, Hanhua; Prosvirin, Andrey; Wernsdorfer, Wolfgang; Dunbar, Kim R

2009-07-14

The preparation, single crystal X-ray crystallography, and magnetic properties are reported for four new clusters based on [M'V(CN)8]3- octacyanometallates (M'=Mo, W). Reactions of [M'V(CN)8]3- with mononuclear NiII ions in the presence of the tmphen blocking ligand (tmphen=3,4,7,8-tetramethyl-1,10-phenanthroline) in a 2:3:6 ratio, respectively, lead to the formation of the trigonal bipyramidal clusters [NiII(tmphen)2]3[M'V(CN)8]2. Analogous reactions with the same starting materials performed in a 2:3:2 ratio, respectively, produce pentadecanuclear clusters of the type {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[micro-CN]30[WV(CN)3]6}. The W2Ni3 (1) and Mo2Ni3(2) pentanuclear clusters and the W6Ni9 (3) and Mo6Ni9 (4) pentadecanuclear molecules are isostructural to each other and crystallize in the space groups P2(1)/c and R3 respectively. Magnetic measurements indicate that the ground states for the trigonal bipyamidal clusters are S=4 as a consequence of ferromagnetic coupling with JW-Ni=9.5 cm(-1), JMo-Ni=10 cm(-1). The pentadecanuclear clusters exhibit ferromagnetic coupling as well, which leads to S=12 ground states (JW-Ni=12 cm(-1), JMo-Ni=12.2 cm(-1)). Reduced magnetization studies on the W-Ni analogues support the conclusion that they exhibit a negative axial anisotropy term; the fits give D values of -0.24 cm(-1) for the W2Ni3 cluster and D=-0.04 cm(-1)for the W6Ni9 cluster. AC susceptibility measurements indicate the beginning of an out-of-phase signal for the W2Ni3 and the W6Ni9 compounds, but detailed low temperature studies on small crystals by the microSQUID technique indicate that only the pentadecanuclear cluster exhibits hysteresis in accord with SMM behavior. Neither Mo cluster reveals any evidence for slow paramagnetic relaxation at low temperatures.

The ν 1Band System of H-CC-CN (Cyanoacetylene)

Science.gov (United States)

Winther, F.; Klee, S.; Mellau, G.; Naı̈m, S.; Mbosei, L.; Fayt, A.

1996-02-01

The ν1band system of cyanoacetylene (H-CC-CN) has been observed with an effective resolution of 0.006 cm-1. ν1= 3327.37085(3) cm-1,B1= 0.15149762(2) cm-1,D1= 1.8065(3) × 10-8cm-1. Several hot bands from the statesv5= 1,v6= 1,v7= 1, 2 (l= 0 and 2), 3 (l= 1 and 3), and 4 (l= 0 and 2),v6=v7= 1 (l= 0 and 2), andv6= 1 andv7= 2 (l= 3) have also been observed and analyzed. Many bands show strong local perturbations due to interactions with states which are combinations of the modes 4, 5, 6, and 7. These perturbing states are also described quantitatively, and rovibrational constants are given.

LDC nuclear power: Argentina

International Nuclear Information System (INIS)

Tweedale, D.L.

1982-01-01

Argentina's 31-year-old nuclear research and power program makes it a Third World leader and the preeminent Latin American country. Easily accessible uranium fuels the heavy water reactor, Atucha I, which provides 10% of the country's electric power. Atucha II and III are under construction. Several domestic and international factors combined to make Argentina's program succeed, but achieving fuel-cycle independence and the capacity to divert fissionable material to military uses is a cause for some concern. 60 references

Effects of wildfires on ash Carbon, Nitrogen and C/N ratio in Mediterranean forests

Science.gov (United States)

Pereira, P.; Ubeda, X.; Martin, D. A.

2009-04-01

Carbon (C) and Nitrogen(N) are key nutrients in ecosystems health and the more affected by fire temperatures, because of their low temperatures of volatilization. After a wildfire, due higher temperatures reached, a great amount of C and N can be evacuated from the ecosystems and the percentage of C and N not vaporized is concentrated in ashes. Hence, the study of ash C and N is of major importance because will be linked with the capacity of ecosystem recuperation. The aim of this work is study the C, and C/N of three wildfires occurred in Mediterranean forests dominated by Quercus suber and Pinus pinea in Portugal. In the first wildfire, named "Quinta do Conde", we collected 30 samples, in the second, "Quinta da Areia", 32 samples and the third, "Casal do Sapo" 40 samples To estimate the consequences of wildfires in the parameters in study, we collected several samples of unburned litter near burned areas, composed by the same vegetation. The results showed that wildfires induced in % of Total Carbon (%TC) ashes content a non significantly reduction in Quinta do Conde plot (at a pPinus pinaster samples decreasing thereafter especially after the 400°C. In %TN we identified a rise in both species reducing abruptly at 450°C. C/N ratio decrease importantly after the 150°C. Theses results showed us that wildfires can have different effects C and N litter resources, depending on the severity and temperature reached. Crossing the results obtained in laboratory simulations with the samples collected in wildfires we will have an idea about the severity and temperature occurred in each wildfire. Overall, the lower severity were observed in Quinta do Conde plot and the higher in Casal do Sapo plot, being Quinta da Areia in a middle position. The C and N levels after a wildfire will determine the capacity of landscape recuperation and according the data obtained this will be higher in Quinta do Conde plot and lesser in Casal do Sapo plot. These hypothesis will be confirmed

Determination of hyperin in seed of Cuscuta chinensis Lam. by enhanced chemiluminescence of CdTe quantum dots on calcein/K3Fe(CN)6 system.

Science.gov (United States)

Kang, Jing; Li, Xuwen; Geng, Jiayang; Han, Lu; Tang, Jieli; Jin, Yongri; Zhang, Yihua

2012-10-15

In this paper, 3-mercaptocarboxylic acid (MPA) modified CdTe quantum dots (QDs) were used as sensitizers, to enhance the chemiluminescence (CL) of the calcein/K(3)Fe(CN)(6) system. A new CL system of CdTe/calcein/K(3)Fe(CN)(6) was developed. The effects of reactant concentrations and the particle sizes of CdTe QDs on the CL emission were investigated in detail. The possible enhancement mechanism of the CL was also further investigated based on the photoluminescence (PL) and CL spectra. Polyphenols such as chlorogenic acid, quercetin, hyperin, catechin and kaempferol, were observed to inhibit the CL signal of the CdTe/calcein/K(3)Fe(CN)(6) system and determined by the proposed method. The proposed method was applied to the determination of hyperin in seed of Cuscuta chinensis Lam. and the results obtained were satisfactory. Copyright © 2012 Elsevier Ltd. All rights reserved.

ESR studies on the spin-liquid candidate κ-(BEDT-TTF)2Cu2(CN)3: Anomalous response below T=8 K

International Nuclear Information System (INIS)

Padmalekha, K.G.; Blankenhorn, M.; Ivek, T.; Bogani, L.; Schlueter, J.A.; Dressel, M.

2015-01-01

The organic conductor κ-(BEDT-TTF) 2 Cu 2 (CN) 3 seems to form a quantum spin liquid, although at low temperatures unusual properties are seen in the charge, spin and lattice degrees of freedom. Here we report results of X-band ESR studies of κ-(BEDT-TTF) 2 Cu 2 (CN) 3 single crystals as a function of temperature and angle. We find indications of two anisotropic relaxation mechanisms at low temperatures and compare them to the spin-liquid behavior observed in other strongly correlated systems. In addition, we can recognize charge inhomogeneities in the copper ions of the anion layer. This disorder might be linked to the dielectric response measured in this compound

ESR studies on the spin-liquid candidate κ-(BEDT-TTF)2Cu2(CN)3: Anomalous response below T=8 K

Science.gov (United States)

Padmalekha, K. G.; Blankenhorn, M.; Ivek, T.; Bogani, L.; Schlueter, J. A.; Dressel, M.

2015-03-01

The organic conductor κ-(BEDT-TTF)2Cu2(CN)3 seems to form a quantum spin liquid, although at low temperatures unusual properties are seen in the charge, spin and lattice degrees of freedom. Here we report results of X-band ESR studies of κ-(BEDT-TTF)2Cu2(CN)3 single crystals as a function of temperature and angle. We find indications of two anisotropic relaxation mechanisms at low temperatures and compare them to the spin-liquid behavior observed in other strongly correlated systems. In addition, we can recognize charge inhomogeneities in the copper ions of the anion layer. This disorder might be linked to the dielectric response measured in this compound.

G331.512–0.103: An Interstellar Laboratory for Molecular Synthesis. I. The Ortho-to-para Ratios for CH3OH and CH3CN

Science.gov (United States)

Mendoza, Edgar; Bronfman, Leonardo; Duronea, Nicolas U.; Lépine, Jacques R. D.; Finger, Ricardo; Merello, Manuel; Hervías-Caimapo, Carlos; Gama, Diana R. G.; Reyes, Nicolas; Åke-Nyman, Lars

2018-02-01

Spectral line surveys reveal rich molecular reservoirs in G331.512–0.103, a compact radio source in the center of an energetic molecular outflow. In this first work, we analyze the physical conditions of the source by means of CH3OH and CH3CN. The observations were performed with the APEX Telescope. Six different system configurations were defined to cover most of the band within (292–356) GHz as a consequence, we detected a forest of lines toward the central core. A total of 70 lines of A/E–CH3OH and A/E–CH3CN were analyzed, including torsionally excited transitions of CH3OH ({ν }t=1). In a search for all the isotopologues, we identified transitions of 13CH3OH. The physical conditions were derived considering collisional and radiative processes. We found common temperatures for each A and E symmetry of CH3OH and CH3CN; the derived column densities indicate an A/E equilibrated ratio for both tracers. The results reveal that CH3CN and CH3OH trace a hot and cold component with {T}k∼ 141 K and {T}k∼ 74 K, respectively. In agreement with previous ALMA observations, the models show that the emission region is compact (≲ 5\\buildrel{\\prime\\prime}\\over{.} 5) with gas density n(H2) = (0.7–1)×107 cm‑3. The CH3OH/CH3CN abundance ratio and the evidences for prebiotic and complex organic molecules suggest a rich and active chemistry toward G331.512–0.103.

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

Science.gov (United States)

Glowacki, David R; Orr-Ewing, Andrew J; Harvey, Jeremy N

2015-07-28

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD3CN → DF + CD2CN reaction in CD3CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD3CN solvent, equilibrium power spectra of DF in CD3CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol(-1) localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD3CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral

Linking annual N2O emission in organic soils to mineral nitrogen input as estimated by heterotrophic respiration and soil C/N ratio.

Science.gov (United States)

Mu, Zhijian; Huang, Aiying; Ni, Jiupai; Xie, Deti

2014-01-01

Organic soils are an important source of N2O, but global estimates of these fluxes remain uncertain because measurements are sparse. We tested the hypothesis that N2O fluxes can be predicted from estimates of mineral nitrogen input, calculated from readily-available measurements of CO2 flux and soil C/N ratio. From studies of organic soils throughout the world, we compiled a data set of annual CO2 and N2O fluxes which were measured concurrently. The input of soil mineral nitrogen in these studies was estimated from applied fertilizer nitrogen and organic nitrogen mineralization. The latter was calculated by dividing the rate of soil heterotrophic respiration by soil C/N ratio. This index of mineral nitrogen input explained up to 69% of the overall variability of N2O fluxes, whereas CO2 flux or soil C/N ratio alone explained only 49% and 36% of the variability, respectively. Including water table level in the model, along with mineral nitrogen input, further improved the model with the explanatory proportion of variability in N2O flux increasing to 75%. Unlike grassland or cropland soils, forest soils were evidently nitrogen-limited, so water table level had no significant effect on N2O flux. Our proposed approach, which uses the product of soil-derived CO2 flux and the inverse of soil C/N ratio as a proxy for nitrogen mineralization, shows promise for estimating regional or global N2O fluxes from organic soils, although some further enhancements may be warranted.

Phase transitions of doped carbon in CrCN coatings with modified mechanical and tribological properties via filtered cathodic vacuum arc deposition

Science.gov (United States)

Guan, J. J.; Wang, H. Q.; Qin, L. Z.; Liao, B.; Liang, H.; Li, B.

2017-04-01

The CrCN coatings were fabricated onto Si (1 1 1) wafers and SUS304 stainless steel plates using filtered cathodic vacuum arc deposition (FCVAD) technique under different flow ratios of N2/C2H2 gas mixture. The morphology, crystalline structure and chemical composition of the coatings were characterized. It was found that the grain size reduce with increasing carbon content, which makes the CrCN coatings refined and smooth. The quasi-one-dimensional carbolite phase was also found in CrN host lattice with C2H2 content ranging from 5% to 20%, and it will be evolved into amorphous carbon and amorphous CNx phases as C2H2 content exceeds 20%. Moreover, we examined the mechanical and tribological properties of the CrCN coatings, and the experimental results confirmed that the friction coefficient of the coatings descend to the lowest value as 0.39 with 30% C2H2 content, due to the graphite (sp2 Csbnd C) phase embed in CrN host lattice; while the chromium carbon (Cr3C2) and diamond (sp3 Csbnd C) phases may give rise to the increase of the coating hardness with the highest value at 23.97 GPa under 20% C2H2 content.

Oxidation Study of an Ultra High Temperature Ceramic Coatings Based on HfSiCN

Science.gov (United States)

Sacksteder, Dagny; Waters, Deborah L.; Zhu, Dongming

2018-01-01

High temperature fiber-reinforced ceramic matrix composites (CMCs) are important for aerospace applications because of their low density, high strength, and significantly higher-temperature capabilities compared to conventional metallic systems. The use of the SiCf/SiC and Cf/SiC CMCs allows the design of lighter-weight, more fuel efficient aircraft engines and also more advanced spacecraft airframe thermal protection systems. However, CMCs have to be protected with advanced environmental barrier coatings when they are incorporated into components for the harsh environments such as in aircraft engine or spacecraft applications. In this study, high temperature oxidation kinetics of an advanced HfSiCN coating on Cf/SiC CMC substrates were investigated at 1300 C, 1400 C, and 1500 C by using thermogravimetric analysis (TGA). The coating oxidation reaction parabolic rate constant and activation energy were estimated from the experimental results. The oxidation reaction studies showed that the coatings formed the most stable, predominant HfSiO4-HfO2 scales at 1400 C. A peroxidation test at 1400 C then followed by subsequent oxidation tests at various temperatures also showed more adherent scales and slower scale growth because of reduced the initial transient oxidation stage and increased HfSiO4-HfO2 content in the scales formed on the HfSiCN coatings.

Sequential continuous flow processes for the oxidation of amines and azides by using HOF·MeCN.

Science.gov (United States)

McPake, Christopher B; Murray, Christopher B; Sandford, Graham

2012-02-13

The generation and use of the highly potent oxidising agent HOF·MeCN in a controlled single continuous flow process is described. Oxidations of amines and azides to corresponding nitrated systems by using fluorine gas, water and acetonitrile by sequential gas-liquid/liquid-liquid continuous flow procedures are reported. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Určení hodnoty věcných břemen stavby na cizím pozemku a přechodu nebo přejezdu přes pozemek jiného vlastníka

OpenAIRE

Kuhrová, Kristýna

2011-01-01

Diplomová práce je zaměřena na problematiku věcných břemen z hlediska činnosti znalce. V první části práce je proveden rozbor platné právní úpravy věcných břemen, jejich členění, příčiny možného vzniku, změn a zániku. Dále následuje obecný popis metodiky oceňování věcných břemen, vymezení jednotlivých druhů cen a účelů oceňování věcných břemen. V návrhové části je teoretický rozbor aplikován na dva konkrétní případy věcných břemen, a to věcného břemene přechodu přes pozemek jiného vlastníka a...

Tableau Formulas for One-Row Macdonald Polynomials of Types C_n and D_n

Science.gov (United States)

Feigin, Boris; Hoshino, Ayumu; Noumi, Masatoshi; Shibahara, Jun; Shiraishi, Jun'ichi

2015-12-01

We present explicit formulas for the Macdonald polynomials of types C_n and D_n in the one-row case. In view of the combinatorial structure, we call them ''tableau formulas''. For the construction of the tableau formulas, we apply some transformation formulas for the basic hypergeometric series involving very well-poised balanced {}_{12}W_{11} series. We remark that the correlation functions of the deformed W algebra generators automatically give rise to the tableau formulas when we principally specialize the coordinate variables.

Depths of formation of the CN molecule lines in the solar atmosphere

International Nuclear Information System (INIS)

Porfir'eva, G.A.

1975-01-01

The depths of production of lines of weak bands of the CN molecule violet (lambda=4216A) system are calculated by the weight function method. Two models of solar atmosphere are used. Lines with the different rotational vibrational quantum numbers are produced practically in the same layer (tau approximately equal to 0.05-0.06). The difference of depths of production of the line center and the wing is small (Δtau 0 =0.005). The contribution functions for the solar disk center differ little from those for the edge. The calculations carried out are in good agreement with the results obtained from earlier observations

Wind-induced response of CN-Tower: comparison of model and full scale

International Nuclear Information System (INIS)

Monbaliu, J.; Ruigrok, C.; Isyumov, N.

1985-01-01

The approximately 555-m high CN Communications Tower in Toronto has now been operational for nearly a decade. The action of wind on this tower was extensively tested at the Boundary Layer Wind Tunnel Laboratory during the design of the tower. This study provided information on the overall wind loads and responses of the structure, the action of wind on various components, and its effects on the tower performance including transmission quality. A program of monitoring and recording the wind induced response and various meteorological data was started in 1977. This paper presents some results of that program and makes comparisons with wind tunnel model data. (author)

Mössbauer spectroscopic study on spin crossover coordination polymer Fe(3-Clpy){sub 2}[Pd(CN){sub 4}

Energy Technology Data Exchange (ETDEWEB)

Kitazawa, Takafumi, E-mail: kitazawa@chem.sci.toho-u.ac.jp; Sekiya, Madoka; Kawasaki, Takeshi; Takahashi, Masashi [Toho University, Department of Chemistry, Faculty of Science (Japan)

2016-12-15

{sup 57}Fe Mössbauer spectroscopic results on the alternatively prepared spin crossover coordination polymer Fe(3-Clpy){sub 2}Pd(CN){sub 4} sample I agree with those of SQUID data. Mössbauer specrum at RT shows two diffrent doublets which correspond to the HS1(inner doublet) and HS2(outer doublet). The intensity of the HS1 doublet decreases on cooling to 78 K at the expense of a new one featuring the LS singlet. Almost 100 % of HS1 change to LS singlet due to iron(II) ions coordinated by four N atoms of cyano groups and two N atoms of 3-Clpy ligand in the sample I. The SQUID data of the sample I prepared by a new direct contact method are different from those of the already reported Fe(3-Clpy){sub 2}Pd(CN){sub 4} sample. The differences of the SQUID data are associated with particle size effects in molecule spin crossover samples.

Effects of C/N ratio and substrate addition on natural food communities in freshwater prawn monoculture ponds

NARCIS (Netherlands)

Asaduzzaman, M.; Rahman, M.M.; Azim, M.E.; Islam, M.A.; Wahab, M.A.; Verdegem, M.C.J.; Verreth, J.A.J.

2010-01-01

An on-station trial was conducted to investigate the effects of three C/N ratios (10/1, 15/1 and 20/1) along with substrate presence or absence on natural food communities in freshwater prawn culture ponds. An experiment was carried out in 40 m2 ponds stocked with a stocking density of 2 prawn

Comment on “Beyond the SCS-CN method: A theoretical framework for spatially lumped rainfall-runoff response” by M.S. Bartlett, A.J. Parolari, J.J. McDonnell and A. Porporato

Science.gov (United States)

Bartlett et al. [2016] performed a re-interpretation and modification of the space-time lumped USDA NRCS (formerly SCS) Curve Number (CN) method to extend its applicability to forested watersheds. We believe that the well documented limitations of the CN method severely constrains the applicability ...

Atucha II: building a 745 MWe pressure-vessel PHWR in the Argentine

International Nuclear Information System (INIS)

Madero, C.C.

1982-01-01

The history of the development of nuclear power in Argentina is outlined. Future policy is described. The aim is to close the fuel cycle and secure a domestic capability to design and construct nuclear power plants. (U.K.)

Impact of partial nitritation degree and C/N ratio on simultaneous Sludge Fermentation, Denitrification and Anammox process.

Science.gov (United States)

Wang, Bo; Peng, Yongzhen; Guo, Yuanyuan; Yuan, Yue; Zhao, Mengyue; Wang, Shuying

2016-11-01

This study presents a novel process (i.e. PN/SFDA) to remove nitrogen from low C/N domestic wastewater. The process mainly involves two reactors, a pre-Sequencing Batch Reactor for partial nitritation (termed as PN-SBR) and an anoxic reactor for integrated Denitrification and Anammox with carbon sources produced from Sludge Fermentation (termed as SFDA). During long-term Runs, NO2(-)/NH4(+) ratio (i.e. NO2(-)-N/NH4(+)-N calculated by mole) in the PN-SBR effluent was gradually increased from 0.2 to 37 by extending aerobic duration, meaning that partial nitritation turning to full nitritation could be achieved. Impact of partial nitritation degree on SFDA process was investigated and the result showed that, NO2(-)/NH4(+) ratios between 2 and 10 were appropriate for the co-existence of denitrification and anammox together in the SFDA reactor, and denitrification instead of anammox contributed greater for nitrogen removal. Further batch tests indicated that anammox collaborated well with denitrification at low C/N (1.0 in this study). Copyright © 2016 Elsevier Ltd. All rights reserved.

Millimeter/submillimeter Spectroscopy of PH2CN ({\\tilde{X}} 1A') and CH3PH2 ({\\tilde{X}} 1A'): Probing the Complexity of Interstellar Phosphorus Chemistry

Science.gov (United States)

Halfen, D. T.; Clouthier, D. J.; Ziurys, L. M.

2014-11-01

Millimeter/submillimeter spectra of PH2CN ({\\tilde{X}} 1A') and CH3PH2 ({\\tilde{X}} 1A') have been recorded for the first time using direct absorption techniques. This work extends previous measurements of both molecules beyond the 10-50 GHz range. Both species were created in the presence of an AC discharge by the reaction of phosphorus vapor and either cyanogen and hydrogen (PH2CN) or methane (CH3PH2). Twelve rotational transitions of PH2CN were recorded over the region 305-422 GHz for asymmetry components Ka = 0 through 8. For CH3PH2, eight rotational transitions were measured from 210-470 GHz with Ka = 0 through 16; these spectra exhibited greater complexity due to the presence of internal rotation, which splits the Ka = 1, 2, and 3 asymmetry components into A and E states. Combined analyses of the millimeter/submillimeter and previous microwave data were performed for both molecules. For PH2CN, the spectra were fit with a Watson S-reduced asymmetric top Hamiltonian, resulting in more accurate rotational and centrifugal distortion constants. In the case of CH3PH2, an asymmetric top internal-rotation Hamiltonian was employed in the analysis, significantly improving the rotational and torsional parameters over previous microwave estimates. Searches for both molecules were subsequently conducted toward Sgr B2(N), using the 12 m telescope of the Arizona Radio Observatory (ARO). Neither species was identified, with abundance upper limits, relative to H2, of f (PH2CN/H2) PH2/H2) 2 and >200, respectively.

ORTHO-TO-PARA ABUNDANCE RATIO (OPR) OF AMMONIA IN 15 COMETS: OPRs OF AMMONIA VERSUS 14N/15N RATIOS IN CN

International Nuclear Information System (INIS)

Shinnaka, Yoshiharu; Kawakita, Hideyo; Kobayashi, Hitomi; Jehin, Emmanuel; Manfroid, Jean; Hutsemekers, Damien; Arpigny, Claude

2011-01-01

The ortho-to-para abundance ratio (OPR) of cometary molecules is considered to be one of the primordial characteristics of cometary ices. We present OPRs of ammonia (NH 3 ) in 15 comets based on optical high-dispersion spectroscopic observations of NH 2 , which is a photodissociation product of ammonia in the gaseous coma. The observations were mainly carried out with the VLT/UVES. The OPR of ammonia is estimated from the OPR of NH 2 based on the observations of the NH 2 (0, 9, 0) vibronic band. The absorption lines by the telluric atmosphere are corrected and the cometary C 2 emission lines blended with NH 2 lines are removed in our analysis. The ammonia OPRs show a cluster between 1.1 and 1.2 (this corresponds to a nuclear spin temperature of ∼30 K) for all comets in our sample except for 73P/Schwassmann-Wachmann 3 (73P/SW3). Comet 73P/SW3 (both B- and C-fragments) shows the OPR of ammonia consistent with nuclear spin statistical weight ratio (1.0) that indicates a high-temperature limit as nuclear spin temperature. We compared the ammonia OPRs with other properties ( 14 N/ 15 N ratios in CN, D/H ratios of water, and mixing ratios of volatiles). Comet 73P/SW3 is clearly different from the other comets in the plot of ammonia OPRs versus 14 N/ 15 N ratios in CN. The ammonia OPRs of 1.0 and lower 15 N-fractionation of CN in comet 73P/SW3 imply that icy materials in this comet formed under warmer conditions than other comets. Comets may be classified into two groups in the plot of ammonia OPRs against 14 N/ 15 N ratios in CN.

Study of the effect of the silver content on the structural and mechanical behavior of Ag–ZrCN coatings for orthopedic prostheses

Energy Technology Data Exchange (ETDEWEB)

Ferreri, I., E-mail: isabelferreri@gmail.com [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); CEB, Centre for Biological Engineering, University of Minho, Campus of Gualtar, 4700-057 (Portugal); Lopes, V. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); Calderon V, S. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Tavares, C.J. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); Cavaleiro, A. [SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal); Carvalho, S. [GRF-CFUM, University of Minho, Campus of Azurém, 4800-058 Guimarães (Portugal); SEG-CEMUC, Mechanical Engineering Department, University of Coimbra, 3030-788 Coimbra (Portugal)

2014-09-01

With the increase of elderly population and health problems that are arising nowadays, hip joint prostheses are being widely used. However, it is estimated that 20% of hip replacement surgeries simply fails after few years, mainly due to wear fatigue. Bearing this in mind, this work reports on the development of new coatings that are able to sustain long and innocuous life inside the patient, which will confer to the usual biomaterials improved physical, mechanical and tribological properties. In particular, the development of multifunctional coatings based on Ag-ZrCN, prepared by DC reactive magnetron sputtering using two targets, Zr and a modified Zr target, in an Ar + C{sub 2}H{sub 2} + N{sub 2} atmosphere. Silver pellets were placed in the erosion area of the alloyed Zr target in order to obtain a silver content up to 8 at.%. The structural results obtained by x-ray diffraction show that the coatings crystallize in a NaCl crystal structure typical of ZrC{sub 1-x}N{sub x}. The increase of Ag content promoted the formation of an additional a-CN{sub x} amorphous phase, besides a silver crystalline phase. Hardness is decreasing, as increasing silver content. Despite the low thicknesses, adhesion values (L{sub C3}) can be considered as good. Dynamic fatigue results suggest that these coatings system can be a real asset in terms of mechanical properties, by improving the performance of usual Stainless Steel 316 L biomaterials. - Highlights: • ZrCN, silver and carbon based amorphous phases, form the structure of the coatings. • Ag–ZrCN coatings have a high capacity to withstand an impact load without fracturing. • Silver incorporation reduces the fatigue failures of the coatings. • The films possess mechanical resistance and biocompatibility, required in prostheses.

Synthesis of fluorinated ReCl(4,4'-R2-2,2'-bipyridine)(CO)3 complexes and their photophysical characterization in CH3CN and supercritical CO2.

Science.gov (United States)

Doherty, Mark D; Grills, David C; Fujita, Etsuko

2009-03-02

Two new CO(2)-soluble rhenium(I) bipyridine complexes bearing the fluorinated alkyl ligands 4,4'-(C(6)F(13)CH(2)CH(2)CH(2))(2)-2,2'-bipyridine (1a), and 4,4'-(C(8)F(17)CH(2)CH(2)CH(2))(2)-2,2'-bipyridine (1b) have been prepared and their photophysical properties investigated in CH(3)CN and supercritical CO(2). Electrochemical and spectroscopic characterization of these complexes in CH(3)CN suggests that the three methylene units effectively insulate the bipyridyl rings and the rhenium center from the electron-withdrawing effect of the fluorinated alkyl chains. Reductive quenching of the metal-to-ligand charge-transfer excited states with triethylamine reveals quenching rate constants in supercritical CO(2) that are only 6 times slower than those in CH(3)CN.

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

Energy Technology Data Exchange (ETDEWEB)

Glowacki, David R., E-mail: drglowacki@gmail.com [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Department of Computer Science, University of Bristol, Bristol BS8 1UB (United Kingdom); PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Orr-Ewing, Andrew J. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Harvey, Jeremy N. [Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Belgium)

2015-07-28

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational

ON THE PROGENITOR OF THE TYPE II-PLATEAU SN 2008cn in NGC 4603

International Nuclear Information System (INIS)

Elias-Rosa, Nancy; Van Dyk, Schuyler D.; Li, Weidong; Filippenko, Alexei V.; Foley, Ryan J.; Smith, Nathan; Morrell, Nidia; Gonzalez, Sergio; Hamuy, Mario; Cuillandre, Jean-Charles

2009-01-01

A trend is emerging regarding the progenitor stars that give rise to the most common core-collapse supernovae (SNe), those of Type II-Plateau (II-P): they generally appear to be red supergiants with a limited range of initial masses, ∼8-16 M sun . Here, we consider another example, SN 2008cn, in the nearly face-on spiral galaxy NGC 4603. Even with limited photometric data, it appears that SN 2008cn is not a normal SN II-P, but is of the high-luminosity subclass. Through comparison of pre- and post-explosion images obtained with the Wide Field and Planetary Camera 2 on board the Hubble Space Telescope, we have isolated a supergiant star prior to explosion at nearly the same position as the SN. We provide evidence that this supergiant may well be the progenitor of the SN, although this identification is not entirely unambiguous. This is exacerbated by the distance to the host galaxy, 33.3 Mpc, making SN 2008cn the most distant SN II-P yet for which an attempt has been made to identify a progenitor star in pre-SN images. The progenitor candidate has a more yellow color ([V - I] 0 = 0.98 mag and T eff = 5200 ± 300 K) than generally would be expected and, if a single star, would require that it exploded during a 'blue loop' evolutionary phase, which is theoretically not expected to occur. Nonetheless, we estimate an initial mass of M ini = 15 ± 2 M sun for this star, which is within the expected mass range for SN II-P progenitors. The yellower color could also arise from the blend of two or more stars, such as a red supergiant and a brighter, blue supergiant. Such a red supergiant hidden in this blend could instead be the progenitor and would also have an initial mass within the expected progenitor mass range. Furthermore, the yellow supergiant could be in a massive, interacting binary system, analogous to the possible yellow supergiant progenitor of the high-luminosity SN II-P 2004et. Finally, if the yellow supergiant is not the progenitor, or is not a stellar

C/N and other Elemental Ratios of Chondritic Porous IDPS and a Fluffy Concordia Micrometeorite

Science.gov (United States)

Smith, T.; Nakamura-Messenger, K.; Messenger, S.; Keller, L. P.; Khodja, H.; Raepsaet, C.; Wirick, S.; Flynn, G. J.; Taylor, S.; Engrand, C.;

Effect of Spin-Crossover-Induced Pore Contraction on CO₂–Host Interactions in the Porous Coordination Polymers [Fe(pyrazine)M(CN)₄] (M = Ni, Pt)

Energy Technology Data Exchange (ETDEWEB)

Culp, Jeffrey T; Chen, De-Li; Liu, Jinchen; Chirdon, Danielle; Kauffman, Kristi; Goodman, Angela; Johnson, J Karl

2013-02-01

Variable-temperature in situ ATR-FTIR spectra are presented for the porous spin-crossover compounds [Fe(pyrazine)Ni(CN)₄] and [Fe(pyrazine)Pt(CN)₄] under CO₂ pressures of up to 8 bar. Significant shifts in the ν₃ and ν₂ IR absorption bands of adsorbed CO₂ are observed as the host materials undergo transition between low- and high-spin states. Computational models used to determine the packing arrangement of CO₂ within the pore structures show a preferred orientation of one of the adsorbed CO₂ molecules with close O=C=O···H contacts with the pyrazine pillar ligands. The interaction is a consequence of the commensurate distance of the inter-pyrazine separations and the length of the CO₂ molecule, which allows the adsorbed CO₂ to effectively bridge the pyrazine pillars in the structure. The models were used to assign the distinct shifts in the IR absorption bands of the adsorbed CO₂ that arise from changes in the O=C=O···H contacts that strengthen and weaken in correlation with changes in the Fe–N bond lengths as the spin state of Fe changes. The results indicate that spin-crossover compounds can function as a unique type of flexible sorbent in which the pore contractions associated with spin transition can affect the strength of CO₂–host interactions.

Thermal decomposition of [Co(en)3][Fe(CN)6]∙ 2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation.

Science.gov (United States)

Trávníček, Zdeněk; Zbořil, Radek; Matiková-Maľarová, Miroslava; Drahoš, Bohuslav; Cernák, Juraj

2013-01-01

The Prussian blue analogues represent well-known and extensively studied group of coordination species which has many remarkable applications due to their ion-exchange, electron transfer or magnetic properties. Among them, Co-Fe Prussian blue analogues have been extensively studied due to the photoinduced magnetization. Surprisingly, their suitability as precursors for solid-state synthesis of magnetic nanoparticles is almost unexplored. In this paper, the mechanism of thermal decomposition of [Co(en)3][Fe(CN)6] ∙∙ 2H2O (1a) is elucidated, including the topotactic dehydration, valence and spins exchange mechanisms suggestion and the formation of a mixture of CoFe2O4-Co3O4 (3:1) as final products of thermal degradation. The course of thermal decomposition of 1a in air atmosphere up to 600°C was monitored by TG/DSC techniques, (57)Fe Mössbauer and IR spectroscopy. As first, the topotactic dehydration of 1a to the hemihydrate [Co(en)3][Fe(CN)6] ∙∙ 1/2H2O (1b) occurred with preserving the single-crystal character as was confirmed by the X-ray diffraction analysis. The consequent thermal decomposition proceeded in further four stages including intermediates varying in valence and spin states of both transition metal ions in their structures, i.e. [Fe(II)(en)2(μ-NC)Co(III)(CN)4], Fe(III)(NH2CH2CH3)2(μ-NC)2Co(II)(CN)3] and Fe(III)[Co(II)(CN)5], which were suggested mainly from (57)Fe Mössbauer, IR spectral and elemental analyses data. Thermal decomposition was completed at 400°C when superparamagnetic phases of CoFe2O4 and Co3O4 in the molar ratio of 3:1 were formed. During further temperature increase (450 and 600°C), the ongoing crystallization process gave a new ferromagnetic phase attributed to the CoFe2O4-Co3O4 nanocomposite particles. Their formation was confirmed by XRD and TEM analyses. In-field (5 K / 5 T) Mössbauer spectrum revealed canting of Fe(III) spin in almost fully inverse spinel structure of CoFe2O4. It has been found that the thermal

The performance of biological anaerobic filters packed with sludge-fly ash ceramic particles (SFCP) and commercial ceramic particles (CCP) during the restart period: effect of the C/N ratios and filter media.

Science.gov (United States)

Yue, Qinyan; Han, Shuxin; Yue, Min; Gao, Baoyu; Li, Qian; Yu, Hui; Zhao, Yaqin; Qi, Yuanfeng

2009-11-01

Two lab-scale upflow biological anaerobic filters (BAF) packed with sludge-fly ash ceramic particles (SFCP) and commercial ceramic particles (CCP) were employed to investigate effects of the C/N ratios and filter media on the BAF performance during the restart period. The results indicated that BAF could be restarted normally after one-month cease. The C/N ratio of 4.0 was the thresholds of nitrate removal and nitrite accumulation. TN removal and phosphate uptake reached the maximum value at the same C/N ratio of 5.5. Ammonia formation was also found and excreted a negative influence on TN removal, especially when higher C/N ratios were applied. Nutrients were mainly degraded within the height of 25 cm from the bottom. In addition, SFCP, as novel filter media manufactured by wastes-dewatered sludge and fly ash, represented a better potential in inhibiting nitrite accumulation, TN removal and phosphate uptake due to their special characteristics in comparison with CCP.

Analysis of occupational doses in radioactive and nuclear facilities

International Nuclear Information System (INIS)

Curti, A.; Gomez P, I.; Pardo, G.; Thomasz, E.

1996-01-01

Occupational doses were analyzed in the most important nuclear and radioactive facilities in Argentina, on the period 1988-1994. The areas associated with uranium mining and milling, and medical uses of radiation facilities were excluded from this analysis. The ICRP publication 60 recommendations, adopted in 1990, and enforced in Argentine in 1994, keep the basic criteria of dose limitation system and recommend a substantial reduction in the dose limits. The reduction of the dose limits will affect the individual dose distributions, principally in those installations with occupational doses close to 50 mSv. It were analyzed Occupational doses, principally in the following facilities: Atucha-I and Embalse Nuclear Power Plants, radioisotope production plants, research reactors and radioactive waste management plants. The highest doses were identified in each facility, as well as the task associated with them. Trends in the individual dose distribution and collective and average doses were analyzed. It is concluded, that no relevant difficulties should appear in accomplishing with the basic standards for radiological safety, except for the Atucha-I Nuclear Power Plant. In this NPP a significant effort for the optimization of radiological safety procedures in order to diminish the occupational doses, and a change of the fuel channels by new ones free of cobalt are being carried out. (authors). 4 refs., 3 figs., 3 tabs

Investigation of the Effect of He-Ne Laser on the Optical Properties through Etched CN-85 and CR-39 Containing Alpha Tracks

International Nuclear Information System (INIS)

Zaki, M.F.; Hegazy, T.M.; Taha, D.H.

2013-01-01

The effects of He-Ne laser on the optical characteristics of Cellulose nitrate, CN-85, and Poly allyl diglycole carbonate, CR-39, nuclear track detectors have been studied by using photoluminescence (PL) and UV-visible spectroscopic techniques. The polymers irradiated with alpha particles with close contact to 241 Am and then exposed to He-Ne laser with different doses. The laser energy intensities ranged between 0 and 217 J/cm 2 . The change in the PL spectra may be explained by chain conformational disorders as well as chain scission. From the UV-visible spectra, it is found that a shift in the absorption edge towards a longer wavelength with increasing laser doses can be readily observed. The absorption peak with increasing dose is seen to change into a broad one. The optical band gaps determined from the UV-visible spectra were found to decrease with the increase of energy intensities of He-Ne laser. These results have been explained on the basis of scission of the polymers due to laser irradiation. The UV absorption tail formation in both polymers was related to the diminution of optical band gap. Results show good correlation with the applied doses.

Uniaxial strain effects on transport properties of a supramolecular organic conductor theta-(DIETS) sub 2 [Au(CN) sub 4

CERN Document Server

Tajima, N; Kato, R; Nishio, Y; Kajita, K

2003-01-01

Pressure-controlled switching between an insulating state and a superconducting state has been successfully realized on a supramolecular organic conductor theta-(DIETS) sub 2 [Au(CN) sub 4] [DIETS = diiodo(ethylenedithio)diselenadithiafulvalene]. Strong contact between iodine on the donor (DIETS) molecule and nitrogen on the anion [Au(CN) sub 4] genetates characteristic uniaxial strain effects on transport properties. Under the ambient pressure, the present system undergoes a semiconductor-insulator transition at 226 K. The effect of strains parallel to the conduction plane (ab-plane) is very small. Even under uniaxial strains up to 20 kbar along the a- and b-axis directions, the transition is not suppressed. Surprisingly, however, the c-axis strain induces a superconducting state with T sub c of 8.6 K at 10 kbar. Band parameter calculation and the conductivity anisotropy ratio suggest that an increase in the bandwidth W associated with a c-axis strain transforms the system to the metallic and superconducting...

Conceptual design of interim storage facility for CNAI

International Nuclear Information System (INIS)

Fuenzalida Troyano, Carlos S.; Bergallo, Juan E.; Nassini, Horacio E.P.; Blanco, Anibal; Delmastro, Dario F.

2007-01-01

The reduced storage capacity available in the two spent fuel pools of argentine PHWR Atucha-1 power plant, the current plans for extending the reactor operation beyond its design lifetime, and the government decision on Atucha-2 NPP construction ending, have motivated the evaluation of a dry storage option for the interim management of spent fuel assemblies. Two different designs are presently being analyzed by an expert working group, from both technical and economical points of views. Authors are proposing a modular system consisting of an arrangement of reinforced concrete structures into which welded metallic canisters loaded with 37 spent fuel assemblies each stored in horizontal position. The reinforced concrete module is designed to provide the necessary physical protection and biological shielding to the loaded canisters during long-term storage, as well as passive means to remove the spent fuel decay heat by a combination of radiation, conduction and natural air convection. In this works are presented advances in the conceptual designs for a spent nuclear fuel system to Atucha I nuclear power plant. (author) [es

Argentina

International Nuclear Information System (INIS)

Tanis, S.; Ramberg, B.

1990-01-01

Argentina has embarked on an ambitious domestic nuclear research and energy program. The venture promises to provide the nation with the infrastructure to play an important role in the nuclear export market in the years ahead. Buenos Aires built its program on a foundation of international support and assistance that overlay an emerging sophisticated industrial and scientific establishment. The foreign contribution sensitized Argentina to opportunities in the global market. This paper reports that Argentina operates two heavy-water/natural uranium reactors, Atucha I and Embalse. Producing, respectively, 320 MW(e) and 600 MW(e), they supply roughly 10 percent of the country's electricity. With a capacity factor of 84 percent, Atucha I is among the best operated plants in the world. Plans call for a third, 745 MW(e) power plant, Atucha II, to go on line in the early 1990s. During this period, construction also may begin on three 300 MW(e) plants, although the country's foreign indebtedness plus cost overruns in earlier construction will place a heavy burden on these plans

The comparison of 18C(n; γ)19C and 18C(α; n)21O reaction rates: consequences for the r-process

International Nuclear Information System (INIS)

Dan, M.; Singh, G.; Chatterjee, R.; Shubhchintak

2017-01-01

Neutron rich light and medium mass nuclei play a major role in determining the reaction flow towards the r-process seed nuclei production. In this text, we calculate the neutron capture rate of 18 C and compare it with that of α-capture by the same nucleus in the temperature range T 9 = 0:1 - 10. This temperature range roughly equals to an energy range of 1 keV to 1 MeV in centre of mass frame, where it is very difficult to perform direct reaction experiments. Further, the theoretical construction of 18 C-n continuum state for the 18 C(n; γ) 19 C direct reaction is a tedious job

Rainfall-runoff modeling of the Chapel Branch Creek Watershed using GIS-based rational and SCS-CN methods

Science.gov (United States)

Elizabeth N. Mihalik; Norm S. Levine; Devendra M. Amatya

2008-01-01

Chapel Branch Creek (CBC), located within the Town of Santee adjacent to Lake Marion in Orangeburg County, SC, is listed on the SC 2004 303(d) list of impaired waterbodies due to elevated levels of nitrogen (N), phosphorus (P), chlorophyll-a, and pH. In this study, using a GIS-based approach, two runoff modeling methods, the Rational and SCS-CN methods, have been...

EIS study of the redox reaction of Fe(CN)63-/4- at glassy carbon electrode via diazonium reduction in aqueous and acetonitrile solutions

Energy Technology Data Exchange (ETDEWEB)

Khoshroo, M.; Rostami, A. [Mazandaran Univ., Babolsar (Iran, Islamic Republic of). Dept. of Physical Chemistry

2008-07-01

This paper reported on a study that characterized soluble electroactive species by cyclic voltammetry to investigate the presence of grafted films and their blocking properties. In particular, the authority of the glassy carbon electrode modification conditions on the cyclic voltammetric response of Fe(CN)63-/4- oxido-reduction was examined for 2 layers grafted by electrochemical reduction of diazonium salts in acetonitrile and aqueous solutions. PAA and Fast Black K modified glassy carbon electrodes exhibited a significant blocking behaviour for oxidation and reduction reactions of the Fe(CN)63-/4- redox system in aqueous and acetonitrile solutions. The study showed that the blocking effect increased which changes in time and concentration of diazonium salts in acetonitrile solution. Electrochemical impedance spectroscopy (EIS) measurements showed that the physical barrier of grafted layers prevent the access of Fe(CN)63-/4- to the underlying glassy carbon electrode. Therefore the RCT resistance increases during the modification treatment. The substituted phenyl layers are much more compact and less permeable in a nonaqueous solvent than with an aqueous solvent. Electrochemical impedance measurements indicate that the kinetics of electron transfer slow down when the time and the concentration used to modify the glassy carbon electrode increase. 4 refs., 1 fig.